Crystallography Open Database

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9014721 CIFAl2.5 Ca0.773 H5.66 Na0.7 O12.83 Si2.5P b m n13.0809; 13.0597; 6.6051
90; 90; 90		1128.37Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M.
Crystal structure and low-temperature behavior of "disordered" thomsonite T = 295.5 K
American Mineralogist, 2010, 95, 495-502
9014722 CIFC0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21P 6312.618; 12.618; 5.116
90; 90; 120		705.411Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1
The Canadian Mineralogist, 2012, 49, 1129-1150
9014723 CIFH12 Mg3.592 O22 Si6P n c n13.3067; 26.972; 5.2664
90; 90; 90		1890.16Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G
Variability in sepiolite: Diffraction studies Note: Sample BAT25 Note: T = 25 C
American Mineralogist, 2011, 96, 1443-1454
9014724 CIFAl7.317 B3 Ca0.695 F0.678 Fe0.057 H3.51 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.51 Pb0.007 Si6 Ti0.003R 3 m :H15.8299; 15.8299; 7.1009
90; 90; 120		1540.99Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014725 CIFFe2 H6 O13 S Te2P 21 n b9.6967; 14.2676; 7.8748
90; 90; 90		1089.47Kampf, A. R.; Mills, S. J.
The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite
Journal of Geosciences, 2011, 56, 235-247
9014726 CIFH5.38 Na1.581 O17.69 Rb0.2 Si6 ZrP b c m7.128; 14.644; 14.642
90; 90; 90		1528.37Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 90 deg C
Crystallography Reports, 2011, 56, 832-841
9014728 CIFC Fe O3R -3 c :H4.637; 4.637; 14.98
90; 90; 120		278.944Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P4, P = 7.31 GPa
Physical Review B, 2010, 82, 064110-064118
9014729 CIFAl3 Ca2 H O13 Si3P n m a16.176; 5.5342; 10.0007
90; 90; 90		895.275Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 1.144 GPa
American Mineralogist, 2012, 97, 1165-1176
9014730 CIFK2 Mg2 O12 S3P 21 39.919; 9.919; 9.919
90; 90; 90		975.896Mereiter, K.
Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3
Neues Jahrbuch fur Mineralogie, Monatshefte, 1979, 1979, 182-188
9014732 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7533; 4.7533; 9.2773
90; 90; 90		209.61Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q0, untreated
Mineralogical Magazine, 2006, 70, 319-328
9014734 CIFAl1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.432 O18.912 Si6P 6/m c c9.258; 9.258; 9.156
90; 90; 120		679.627Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L.
Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: neutron
The Canadian Mineralogist, 2010, 48, 597-613
9014735 CIFAl2 Co0.5 O4 Zn0.5F d -3 m :28.09491; 8.09491; 8.09491
90; 90; 90		530.44Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.035, Co content = 0.50 apfu
American Mineralogist, 2012, 97, 1394-1401
9014736 CIFC O6 Pb2 S2P n m a16.326; 8.773; 4.583
90; 90; 90		656.414Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.
Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-03 Baden-Wurttemberg, Germany
Mineralogical Magazine, 2011, 75, 2721-2732
9014738 CIFBi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 VP n a m7.486; 9.62; 5.881
90; 90; 90		423.522Krause, W.; Kolitsch, U.; Bernhardt, H. J.; Effenberger, H.
Duhamelite discredited
Neues Jahrbuch fur Mineralogie, Monatshefte, 2003, 2003, 75-96
9014739 CIFB Cs O6 Si2I 41/a c d :213.019; 13.019; 12.899
90; 90; 90		2186.31Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C.
Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure
The Canadian Mineralogist, 2012, 50, 523-529
9014740 CIFCa4 F2 O7 Si2P 1 21/c 17.518; 10.521; 10.906
90; 70.7; 90		814.152Saburi, S.; Kawahara, A.; Henmi, C.; Kusachi, I.; Kihara, K.
The refinement of the crystal structure of cuspidine
Mineralogical Journal, 1977, 8, 286-298
9014742 CIFAl1.45 Fe0.55 Mg O4F d -3 m :28.1706; 8.1706; 8.1706
90; 90; 90		545.459Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min
European Journal of Mineralogy, 2012, 24, 633-643
9014743 CIFBa O3 TiR 3 m :R4.0036; 4.0036; 4.0036
89.839; 89.839; 89.839		64.172Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 15 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9014744 CIFC Ca O3R -3 c :H4.9773; 4.9773; 17.3231
90; 90; 120		371.658Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 519 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014745 CIFO6 Ta Tb TiP n m a10.977; 7.414; 5.238
90; 90; 90		426.287Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9014746 CIFAl3.12 As3 Ba0.51 Fe0.88 H4 O18.9P -4 3 m7.772; 7.772; 7.772
90; 90; 90		469.46Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M.
Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile
Mineralogical Magazine, 2011, 75, 135-144
9014747 CIFIn19 S19.6 Se21.4 Sn12C 1 2/m 156.29; 3.924; 15.916
90; 102.56; 90		3431.43Topa, D.; Makovicky, E.
Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41
The Canadian Mineralogist, 2012, 50, 397-422
9014748 CIFAl2.232 Ba0.027 Cr0.094 Fe0.142 H2 K0.948 Mg0.268 Mn0.002 Na0.051 O12 Si3.252 Ti0.01C 1 2/c 15.2153; 9.043; 19.974
90; 95.789; 90		937.209Rule, A. C.; Bailey, S. W.
Refinement of the crystal structure of phengite-2M1
Clays and Clay Minerals, 1985, 33, 403-409
9014749 CIFAl3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688R -3 m :R9.382; 9.382; 9.382
94.57; 94.57; 94.57		817.498Passaglia, E.; Ferro, O.
Occurrence and crystal structure of magnesian chabazite
Studies in Surface Science and Catalysis, 2002, 142, 1729-1735
9014751 CIFFe3 SiF m -3 m5.644; 5.644; 5.644
90; 90; 90		179.788Kanematsu, K.
Stability of crystal structure of (Fe,V)3M and (Fe,Ni)3M (M=Si,Ge,Sn) and its analysis based on rigid band model
Transactions of the Japan Institute of Metals, 1986, 27, 225-232
9014752 CIF
HKL		C3 H10 Mg9 O48 Pb8 Si10C 1 2 116.232; 9.373; 14.06
90; 97.36; 90		2121.5Kolitsch, U.; Merlino, S.; Holtstam, D.
Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite
Mineralogical Magazine, 2012, 76, 493-516
9014753 CIFRu S2P a -36.636; 6.636; 6.636
90; 90; 90		292.226Oftedal, I.
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit
Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9014756 CIFBa O3 TiR 3 m :R4.0041; 4.0041; 4.0041
89.852; 89.852; 89.852		64.196Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 170 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9014758 CIFMn Te2P a -36.943; 6.943; 6.943
90; 90; 90		334.689Oftedal, I.
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit
Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9014759 CIFAs0.132 Ca2.19 Mn1.978 Na0.81 O12 Si0.18 V2.7I a -3 d12.5359; 12.5359; 12.5359
90; 90; 90		1970Nagashima, M.; Armbruster, T.
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
Mineralogical Magazine, 2012, 76, 1081-1097
9014760 CIFBr0.13 Cl4.87 K0.94 Pb2 Tl0.06P 1 21/c 18.8989; 7.9717; 12.5624
90; 90.022; 90		891.169Mitolo, D.; Pinto, D.; Garavelli, A.; Bindi, L.; Vurro, F.
The role of the minor substitutions in the crystal structure of natural challacolloite, KPb2Cl5, and hephaistosite, TiPb2Cl5, from Vulcano (Aeolian Archipelago, Italy)
Mineralogy and Petrology, 2009, 96, 121-128
9014761 CIFC Fe O3R -3 c :H4.587; 4.587; 14.258
90; 90; 120		259.805Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P6, P = 18.37 GPa
Physical Review B, 2010, 82, 064110-064118
9014762 CIFCe0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91C 1 2/m 113.973; 5.6984; 11.988
90; 114.1; 90		871.327Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.
Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China
European Journal of Mineralogy, 2012, 24, 189-196
9014763 CIFFe5 Si3P 63/m c m6.6904; 6.6904; 4.667
90; 90; 120		180.914Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 8.8 GPa
Solid State Sciences, 2004, 6, 673-678
9014764 CIFCa2 Fe2 O5P n m a5.3956; 14.6756; 5.5703
90; 90; 90		441.077Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 2.249 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9014765 CIFO4 Si Zn2R -3 :R8.628; 8.628; 8.628
107.87; 107.87; 107.87		521.689Hang, C.; Simonov, M. A.; Belov, N. V.
Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4]
Soviet Physics Crystallography, 1970, 15, 387-390
9014766 CIFCa H12 O17 Si2 U2P 1 21/a 113.947; 15.465; 6.626
90; 91.3; 90		1428.8Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A.
Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification
Crystallography Reports, 2003, 48, 12-15
9014767 CIFAl0.01 Ca0.19 F1.03 Fe1.73 H0.73 K0.98 Mg3.09 Mn0.04 Na1.81 O22.97 Si8 Ti0.12 Zn0.01C 1 2/m 19.9591; 17.9529; 5.2867
90; 104.34; 90		915.783Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Robinson, P.
Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada
Mineralogical Magazine, 2010, 74, 951-960
9014770 CIFAl2 Ca0.273 H4 O10 Si2 Sr0.727P 1 21/m 15.3962; 13.2461; 5.8505
90; 124.39; 90		345.092Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU91
American Mineralogist, 2010, 95, 724-735
9014771 CIFAl1.892 Be2.829 Cu0.171 Fe0.108 H0.96 Li0.12 O18.48 Si6P 6/m c c9.2483; 9.2483; 9.2193
90; 90; 120		682.893Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A.
Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-3
Mineralogical Magazine, 2008, 72, 799-808
9014772 CIFC Ca O3R -3 c :H4.974; 4.974; 17.251
90; 90; 120		369.621Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014774 CIFBa O3 TiA m m 23.99; 5.669; 5.682
90; 90; 90		128.523Shirane, G.; Danner, H.; Pepinsky, R.
Neutron diffraction study of orthorhombic BaTiO3 Note: orthorhombic structure
Physical Review, 1957, 105, 856-860
9014776 CIFAs2 PdP a -35.9855; 5.9855; 5.9855
90; 90; 90		214.438Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
9014777 CIFCa0.2 F O12 P3 Sr4.8P 63/m9.845; 9.845; 7.383
90; 90; 120		619.719Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.
Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia
European Journal of Mineralogy, 2010, 22, 869-874
9014779 CIFAs1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2I -17.1; 7.125; 19.955
92.406; 94.924; 90.42		1004.8Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V.
New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group
European Journal of Mineralogy, 2012, 24, 913-922
9014781 CIFAl H24 O20 Rb S2P a -312.243; 12.243; 12.243
90; 90; 90		1835.12Larson, A. C.; Cromer, D. T.
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Acta Crystallographica, 1967, 22, 793-800
9014783 CIFFe5 Si3P 63/m c m6.5771; 6.5771; 4.593
90; 90; 120		172.066Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 22.6 GPa
Solid State Sciences, 2004, 6, 673-678
9014784 CIFFe H4 K3 O19 S4 TiC 1 2/c 17.55943; 16.7923; 12.1783
90; 94.076; 90		1542.01Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M.
Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile
Mineralogical Magazine, 2012, 76, 851-861
9014785 CIFMg1.88 O4 Si0.96F d -3 m :28.0947; 8.0947; 8.0947
90; 90; 90		530.398Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K
American Mineralogist, 2012, 97, 573-582
9014786 CIFAl2 Ca0.507 H4 O10 Si2 Sr0.493P 1 21/m 15.364; 13.2175; 5.8452
90; 124.25; 90		342.553Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU82
American Mineralogist, 2010, 95, 724-735
9014789 CIFFeF m -3 m3.521; 3.521; 3.521
90; 90; 90		43.651Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 17.59 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9014791 CIFAs2 Ca2 Fe3 H32.148 K0.602 Mo8 O53.074C 1 2/m 119.44; 11.096; 15.25
90; 131.28; 90		2472.06Schmetzer, K.; Nuber, B.; Tremmel, G.
Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 393-403
9014793 CIFBa0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2F d -3 m :210.454; 10.454; 10.454
90; 90; 90		1142.48Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J.
Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
American Mineralogist, 2013, 98, 292-296
9014794 CIFLa0.52 Na0.48 Nb2 O6P m m m3.921; 3.923; 7.8651
90; 90; 90		120.982Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .16
Inorganic Materials, 2004, 40, 1324-1330
9014795 CIFAl7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003R 3 m :H15.8293; 15.8293; 7.1003
90; 90; 120		1540.74Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014797 CIFCo4 In0.2 Sb12I m -39.05294; 9.05294; 9.05294
90; 90; 90		741.94He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.
Thermoelectric properties of indium-filled skutterudites
Chemistry of Materials, 2006, 18, 759-762
9014798 CIFAl0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97R 3 c :H10.3394; 10.3394; 37.0836
90; 90; 120		3433.23Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654
The Canadian Mineralogist, 2011, 49, 1065-1078
9014799 CIFNi3 SnP m -3 m3.7349; 3.7349; 3.7349
90; 90; 90		52.1Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L.
Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec
The Canadian Mineralogist, 2011, 49, 651-656
9014800 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.386; 12.386; 4.954
90; 90; 120		658.186Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 3.59 GPa
American Mineralogist, 2012, 97, 872-882
9014801 CIFCa1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8C 1 2/m 19.737; 17.873; 5.264
90; 105.76; 90		881.653Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 3.65 GPa
American Mineralogist, 2010, 95, 1042-1051
9014802 CIFAl0.64 Cu3 Fe0.36 K3 O18 S4I 1 2 118.772; 4.967; 18.468
90; 101.66; 90		1686.43Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N.
The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976
Geology of Ore Deposits, 2009, 51, 656-662
9014803 CIFBe H2 O2P 21 21 214.5328; 4.6252; 7.0379
90; 90; 90		147.55Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction
Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9014807 CIFAl3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291R -3 m :R9.421; 9.421; 9.421
94.2; 94.2; 94.2		829.077Calligaris, M.; Nardin, G.; Randaccio, L.
Cation-site location in a natural chabazite
Acta Crystallographica, Section B, 1982, 38, 602-605
9014808 CIFAl5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009R 3 m :H15.945; 15.945; 7.21
90; 90; 120		1587.5Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E.
Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions
American Mineralogist, 2010, 95, 1-10
9014809 CIFBe OP 63 m c2.714; 2.714; 4.405
90; 90; 120		28.099Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1073 K
Journal of Applied Physics, 1986, 59, 3728-3733
9014810 CIFCr2 O3R -3 c :H4.8949; 4.8949; 13.432
90; 90; 120		278.714Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa
American Mineralogist, 2012, 97, 1764-1770
9014816 CIFAl2 Co0.75 O4 Zn0.25F d -3 m :28.10011; 8.10011; 8.10011
90; 90; 90		531.463Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu
American Mineralogist, 2012, 97, 1394-1401
9014818 CIFH8 O12 P2 Zn3P b n m5.0135; 10.6044; 18.2828
90; 90; 90		972.008Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite
Chemistry - A European Journal, 2004, 10, 2795-2803
9014819 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.62; 12.62; 5.083
90; 90; 120		701.083Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC)
American Mineralogist, 2012, 97, 872-882
9014820 CIFFe1.1 Mg0.75 Mn0.15 O4 SiP b n m4.822; 10.46; 6.101
90; 90; 90		307.723Hazen, R. M.
Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 600 deg C, P = 1 atm
American Mineralogist, 1977, 62, 286-295
9014821 CIFAl1.61 Fe0.389 Mg1.001 O4F d -3 m :28.1479; 8.1479; 8.1479
90; 90; 90		540.925Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min
European Journal of Mineralogy, 2012, 24, 633-643
9014822 CIFAg Pb S6 Sb3P 1 21/c 119.1686; 17.16; 13.042
90; 90.008; 90		4289.95Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K.
Structural relations and pseudosymmetries in the andorite homologous series
Journal of Mineralogical and Petrological Sciences, 2012, 107, 226-243
9014823 CIFC H2 Cu1.2 O5 Zn0.8P 1 21/a 112.8976; 9.3705; 3.1623
90; 110.262; 90		358.536Perchiazzi, N.
Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite
Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510
9014824 CIFCr2 O3R -3 c :H4.69; 4.69; 12.972
90; 90; 120		247.106Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 50.2 GPa
American Mineralogist, 2012, 97, 1764-1770
9014825 CIFC H O4 YP 21 21 216.9591; 4.8141; 8.4722
90; 90; 90		283.834Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9014826 CIFAl2 Co O4F d -3 m :28.10559; 8.10559; 8.10559
90; 90; 90		532.542Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu
American Mineralogist, 2012, 97, 1394-1401
9014827 CIFCa1.78 Fe1.72 H2 K0.1 Mg3.5 Na1.06 O24 Si8C 1 2/m 19.806; 17.999; 5.296
90; 105.43; 90		901.043Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.26 GPa
American Mineralogist, 2010, 95, 1042-1051
9014828 CIFFe2.16 Mg0.31 O4 Si0.53I m m a5.8319; 11.8873; 8.3522
90; 90; 90		579.021Woodland, A. B.; Angel, R. J.; Koch, M.
Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III
European Journal of Mineralogy, 2012, 24, 657-668
9014829 CIFBi3.92 Cu4 S9P b n m31.68; 11.659; 3.972
90; 90; 90		1467.09Bente, K.; Kupcik, V.
Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide Cu4Bi4S9
Acta Crystallographica, Section C, 1984, 40, 1985-1986
9014830 CIFAl K0.985 O4 SiP 3 1 c5.1665; 5.1665; 8.7248
90; 90; 120		201.687Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 298 K
American Mineralogist, 2010, 95, 1027-1034
9014831 CIFAl1.611 Fe0.39 Mg O4F d -3 m :28.1472; 8.1472; 8.1472
90; 90; 90		540.786Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min
European Journal of Mineralogy, 2012, 24, 633-643
9014832 CIFO4 Si Zn2R -3 :H13.971; 13.971; 9.334
90; 90; 120		1577.81Simonov, M. A.; Sandomirskii, P. A.; Egorov-Tismenko Y K; Belov, N. V.
The crystal structure of willemite Zn2[SiO4]
Doklady Akademii Nauk SSSR, 1977, 237, 581-584
9014833 CIFC Ca0.997 O3 Sr0.003P m c n4.9638; 7.9698; 5.7545
90; 90; 90		227.651Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K
American Mineralogist, 2012, 97, 707-712
9014836 CIFAl6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9P 4/n n c :215.5948; 15.5948; 11.7794
90; 90; 90		2864.72Groat, L. A.; Evans, R. J.
Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1
American Mineralogist, 2012, 97, 1627-1634
9014838 CIFC Ca O3P m c n4.9586; 7.9867; 5.7547
90; 90; 90		227.903Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 92 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014839 CIFAl2 Ca0.79 H4 O10 Si2 Sr0.21P 1 21/m 15.3032; 13.174; 5.8436
90; 123.76; 90		339.416Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: run #AU63
American Mineralogist, 2010, 95, 724-735
9014840 CIFCa4 F2 O7 Si2P 1 21/c 17.55; 10.43; 10.85
90; 69.93; 90		802.515Smirnova, R. F.; Rumanova, I. M.; Belov, N. V.
Crystal structure of cuspidine
Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva, 1955, 84, 159-169
9014841 CIFC2.878 H11.38 O5F d -3 m :117.1925; 17.1925; 17.1925
90; 90; 90		5081.79Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.
Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K
Journal of the American Chemical Society, 2004, 126, 9407-9412
9014842 CIFAg0.308 Bi4 Cu0.358 Pb3.643 S10P n m a23.846; 4.0559; 19.066
90; 90; 90		1844.01Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 5
The Canadian Mineralogist, 2010, 48, 1081-1107
9014844 CIFC D K O3P 1 21/a 115.17; 5.6183; 3.6885
90; 104.297; 90		304.633Thomas, J. O.; Tellgren, R.; Olovsson, I.
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K
Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014846 CIFMg1.84 O4 Si0.95F d -3 m :28.1164; 8.1164; 8.1164
90; 90; 90		534.676Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 635 K
American Mineralogist, 2012, 97, 573-582
9014847 CIFCs2 H9.5 O37.75 Se4 U7P 1 21/m 19.1381; 15.0098; 15.1732
90; 91.171; 90		2080.74Wylie, E. M.; Burns, P. C.
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 4
The Canadian Mineralogist, 2012, 50, 147-157
9014848 CIFAs Ca Cu0.96 H Mg0.04 O5P 21 21 217.3849; 5.8379; 9.1937
90; 90; 90		396.362Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R.
Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131
9014850 CIFCr2 O3R -3 c :H4.9371; 4.9371; 13.53
90; 90; 120		285.609Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.6 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9014851 CIFFeF m -3 m3.473; 3.473; 3.473
90; 90; 90		41.89Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 26.55 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9014853 CIFAl2 Ca0.68 H4 O10 Si2 Sr0.32P 1 21/m 15.33; 13.1956; 5.8449
90; 123.96; 90		340.967Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62
American Mineralogist, 2010, 95, 724-735
9014854 CIFAl0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3P -4 21 m7.738; 7.738; 5.045
90; 90; 90		302.078Mokeeva, V.; Makarov, E.
Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite
Geokhimiya, 1979, 10, 1541-1544
9014856 CIFCa4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43P 1 21 110.836; 10.27; 7.296
90; 109.13; 90		767.103Bellezza, M.; Merlino, S.; Perchiazzi, N.
Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain II
The Canadian Mineralogist, 2012, 50, 531-548
9014857 CIFH6 Mg O6 SiP 21 21 214.976; 5.023; 7.115
90; 89.89; 90		177.835Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.
The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1
American Mineralogist, 2012, 97, 1043-1048
9014858 CIFBe OP 63 m c2.6983; 2.6983; 4.3776
90; 90; 120		27.602Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in air
Journal of Applied Physics, 1986, 59, 3728-3733
9014859 CIFFe0.85 Mg0.49 Mn1.66 O8 P2P 1 21/c 16.088; 4.814; 10.484
90; 89.42; 90		307.245Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J.
Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina
The Canadian Mineralogist, 2012, 50, 1445-1452
9014860 CIFMg O3 SiP b c a18.158; 8.78; 5.1574
90; 90; 90		822.23Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa
American Mineralogist, 2012, 97, 1741-1748
9014863 CIFAl2 Mg3 O12 Si3I a -3 d11.473; 11.473; 11.473
90; 90; 90		1510.19Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 472.6 K
American Mineralogist, 2011, 96, 1593-1605
9014864 CIFAl7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 Pb0.006 Si6 Ti0.009R 3 m :H15.8449; 15.8449; 7.1053
90; 90; 120		1544.87Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014869 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7506; 4.7506; 9.2811
90; 90; 90		209.458Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q5, treated at 600 C for 650 min
Mineralogical Magazine, 2006, 70, 319-328
9014870 CIFFe S4 Sb2P n a m11.1825; 13.753; 3.7359
90; 90; 90		574.555Periotto, B.; Balic-Zunic T; Nestola, F.
The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania
The Canadian Mineralogist, 2012, 50, 201-218
9014871 CIFB7 Cl Mg3 O13P c a 218.54; 8.54; 12.07
90; 90; 90		880.284Ito, T.; Morimoto, N.; Sadanaga, R.
The crystal structure of boracite
Acta Crystallographica, 1951, 4, 310-316
9014872 CIFH K0.27 Mn2 O9.47 Si3.36A 1 2/a 15.533; 13.565; 25.09
90; 94; 90		1878.55Eggleton, R. A.; Guggenheim, S.
A re-examination of the structure of ganophyllite
Mineralogical Magazine, 1986, 50, 307-315
9014875 CIFAl7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6R 3 m :H15.8529; 15.8529; 7.1101
90; 90; 120		1547.47Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014877 CIFC Ca O3R -3 c :H4.974; 4.974; 17.243
90; 90; 120		369.449Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 359 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014880 CIFFe2 O3R -3 c :H5.0143; 5.0143; 13.6733
90; 90; 120		297.731Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 31.4 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9014881 CIFFe Nb0.2 O6 Ta1.8P 42/m n m4.7515; 4.7515; 9.254
90; 90; 90		208.925von Heidenstam, O.
Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer
Arkiv for Kemi, 1968, 28, 375-387
9014882 CIFBi4 Cu0.26 Pb3.867 S10P n m a23.894; 4.0616; 19.143
90; 90; 90		1857.79Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 2
The Canadian Mineralogist, 2010, 48, 1081-1107
9014883 CIFAl8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454R 3 m :H15.765; 15.765; 7.083
90; 90; 120		1524.53Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.
Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13
American Mineralogist, 2012, 97, 1591-1597
9014884 CIFCa4 Na4 O18 Si6R -3 m :H10.429; 10.429; 13.149
90; 90; 120		1238.54Fischer, R. X.; Tillmanns, E.
Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the high-temperature form of combeite
Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59
9014885 CIFAl0.76 Cr0.24 Nb O4C 1 2/m 112.1886; 3.7748; 6.5033
90; 107.72; 90		285.018Ardit, M.; Dondi, M.; Cruciani, G.
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37
American Mineralogist, 2012, 97, 910-917
9014886 CIFFe O7 Ti3I m m 29.9522; 2.7397; 5.9953
90; 90; 90		163.468Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y.
High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K
American Mineralogist, 2012, 97, 568-572
9014887 CIFC Ca0.997 O3 Sr0.003P m c n4.9692; 7.9873; 5.7796
90; 90; 90		229.395Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K
American Mineralogist, 2012, 97, 707-712
9014888 CIFAl1.99 Ca2 Cr0.46 Fe0.08 Mg0.45 Mn0.02 O14 Si3C 1 2/m 119.1558; 5.9125; 8.844
90; 97.448; 90		993.209Hamada, M.; Akasaka, M.; Seto, S.; Makino, K.
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1013
American Mineralogist, 2010, 95, 1294-1304
9014889 CIFBa0.985 Ca0.002 Mg0.002 O4 S Sr0.007P b n m7.15505; 8.88101; 5.45447
90; 90; 90		346.599Antao, S. M.
Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups
American Mineralogist, 2012, 97, 661-665
9014890 CIFCa1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8C 1 2/m 19.66; 17.781; 5.233
90; 106.03; 90		863.894Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 4.84 GPa
American Mineralogist, 2010, 95, 1042-1051
9014891 CIFC Ca O3R -3 c :H4.978; 4.978; 17.211
90; 90; 120		369.357Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 318 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014892 CIFBa Cu2 O7 Si2P n m a6.86058; 13.17507; 6.89589
90; 90; 90		623.31Yamada, T.; Hiroi, Z.; Takano, M.
Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7
Journal of Solid State Chemistry, 2001, 156, 101-109
9014893 CIFO3 V2R -3 c :H4.9018; 4.9018; 13.969
90; 90; 120		290.675Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 47 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9014894 CIFBa O7 Si2 Zn2C c m 217.6199; 13.0265; 6.7374
90; 90; 90		668.759Lin, J. H.; Lu, G. X.; Du, J.; Su, M. Z.; Loong, C. K.; Richardson, J. W.
Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C
Journal of Physics and Chemistry of Solids, 1999, 60, 975-983
9014896 CIFAl1.61 Fe0.389 Mg1.001 O4F d -3 m :28.1465; 8.1465; 8.1465
90; 90; 90		540.646Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min
European Journal of Mineralogy, 2012, 24, 633-643
9014898 CIFO3 V2R -3 c :H4.9199; 4.9199; 13.9787
90; 90; 120		293.029Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 28.3 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9014899 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.266; 12.266; 4.864
90; 90; 120		633.768Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 6.16 GPa
American Mineralogist, 2012, 97, 872-882
9014901 CIFC2 H30 Mg O18 S2R -3 :H9.2715; 9.2715; 21.1298
90; 90; 120		1572.99Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T.
Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K
Crystal Growth & Design, 2010, 10, 4327-4333
9014902 CIFF H O ZnP n m a10.228; 3.1125; 4.7165
90; 90; 90		150.148Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.
Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007)
Mineralogical Magazine, 2012, 76, 25-36
9014903 CIFAl1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3I a -3 d11.6044; 11.6044; 11.6044
90; 90; 90		1562.67Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.
In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond
European Journal of Mineralogy, 2012, 24, 599-606
9014904 CIFC0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09P 6312.617; 12.617; 5.129
90; 90; 120		707.091Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962
The Canadian Mineralogist, 2012, 49, 1129-1150
9014905 CIFCl F6 Pb3.5P -610.267; 10.267; 3.9844
90; 90; 120		363.731Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.
Laurelite: Its crystal structure and relationship to alpha-PbF2
American Mineralogist, 1996, 81, 1277-1281
9014906 CIFCa0.51 Fe0.33 Mg0.35 Mn3.81 O15 Si5P -16.6818; 7.633; 11.795
105.49; 92.49; 94.01		577.092Leverett, P.; Williams, P. A.; Hibbs, D. E.
Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil
The Mineralogical Record, 2008, 39, 125-130
9014907 CIFC2 H5 N OR 3 c :H11.513; 11.513; 12.883
90; 90; 120		1478.85Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A.
Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K
Acta Crystallographica, Section B, 1980, 36, 2292-2299
9014909 CIFC1.72 H18 O10F d -3 m :117.175; 17.175; 17.175
90; 90; 90		5066.29Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.
Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K
Journal of the American Chemical Society, 2004, 126, 9407-9412
9014910 CIFCu2 O7 V2P 17.687; 5.54982; 10.09
104; 110.45; 46.17		290.958Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting
Physical Review B, 2009, 79, 125201-125206
9014911 CIFCa0.055 Fe0.08 Mg0.055 Mn0.215 Na4.75 Nb0.255 O13 P Si2 Ta0.005 Ti1.415 Zr0.055P -15.417; 7.119; 14.487
99.957; 96.711; 90.36		546.286Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y.
From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals
Mineralogical Magazine, 2008, 72, 1207-1228
9014913 CIFB La O5 SiP 316.874; 6.874; 6.717
90; 90; 120		274.869Chi, L.; Chen, H.; Zhuang, H.; Huang, J.
Crystal structure of LaBSiO5
Journal of Alloys and Compounds, 1997, 252, L12-L15
9014914 CIFAs0.06 H4 Mn5 O12 P1.76 Si0.18P 21 21 2117.9733; 5.6916; 9.13
90; 90; 90		933.97Elliott, P.; Pring, A.
The crystal structure of gatehouseite
Mineralogical Magazine, 2011, 75, 2823-2832
9014915 CIFAl90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90P 312.913; 12.913; 79.605
90; 90; 120		11495.4Rastsvetaeva, R. K.; Chukanov, N. V.
Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group
Crystallography Reports, 2008, 53, 981-988
9014916 CIFAl7.407 B3 Ca0.032 F0.48 Fe0.018 H3.33 K0.004 Li0.483 Mn1.143 Na0.773 O30.52 Si5.826 Ti0.006R 3 m :H15.941; 15.941; 7.136
90; 90; 120		1570.42Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A.
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample P6
American Mineralogist, 2003, 88, 1369-1376
9014918 CIFCa6 Cl0.286 H1.72 O12.714 Si3P -16.8126; 6.9416; 12.9412
90.582; 97.552; 98.251		600.143Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.
Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite
Mineralogical Magazine, 2011, 75, 379-394
9014919 CIFH12 Mg3.84 O22 Si6P n c n13.4074; 27.0244; 5.2767
90; 90; 90		1911.89Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G
Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C
American Mineralogist, 2011, 96, 1443-1454
9014921 CIFFe Ge O3C 1 2/c 19.785; 9.1324; 5.1924
90; 101.751; 90		454.271Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.
Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K
American Mineralogist, 2012, 97, 694-706
9014923 CIFAl1.463 Fe0.538 Mg1.003 O4F d -3 m :28.1708; 8.1708; 8.1708
90; 90; 90		545.499Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min
European Journal of Mineralogy, 2012, 24, 633-643
9014924 CIFBa0.105 Cu O10 Si4 Sr0.895P 4/n c c :27.36858; 7.36858; 15.6346
90; 90; 90		848.896Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105
European Journal of Mineralogy, 2010, 22, 411-423
9014925 CIFBa O9 Si3 TiP -6 c 26.6094; 6.6094; 9.7239
90; 90; 120		367.871Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa
American Mineralogist, 2012, 97, 1749-1763
9014926 CIFAg As Mn S3P 43 2 25.4496; 5.4496; 32.949
90; 90; 90		978.524Bonazzi, P.; Keutsch, F. N.; Bindi, L.
Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure
American Mineralogist, 2012, 97, 1199-1205
9014927 CIFAl6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6R 3 m :H15.921; 15.921; 7.175
90; 90; 120		1575.05Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T.
Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim)
The Canadian Mineralogist, 2012, 50, 825-841
9014928 CIFAs3 Ca4 H9 O16P 1 21/c 15.822; 10.175; 22.8816
90; 96.902; 90		1345.66Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.
The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001
The Canadian Mineralogist, 2011, 49, 1055-1064
9014929 CIFCa O14.249 Si4 VP n m a9.609; 13.6833; 9.7559
90; 90; 90		1282.73Danisi, R. M.; Armbruster, T.; Lazic, B.
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C
American Mineralogist, 2012, 97, 1874-1880
9014930 CIFBi0.15 Ca0.65 F Na1.11 O6 Ta2F d -3 m :210.4451; 10.4451; 10.4451
90; 90; 90		1139.56Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H.
Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil
The Canadian Mineralogist, 2011, 49, 1105-1110
9014931 CIFBa Cu O10 Si4P 4/n c c :27.442; 7.442; 16.133
90; 90; 90		893.5Giester, G.; Rieck, B.
Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure
Mineralogical Magazine, 1994, 58, 663-670
9014933 CIFFe O4 Sb2P 42/m7.8498; 7.8498; 5.7452
90; 90; 90		354.016Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.
Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 10.5 GPa, this is denoted as Phase III
Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037
9014934 CIFCu OC 1 2/c 14.6732; 3.477; 5.119
90; 98.5625; 90		82.25Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 34 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9014935 CIFC Ca O3P m c n4.9713; 8.0311; 5.8141
90; 90; 90		232.128Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 359 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014938 CIFCa0.002 Fe0.01 Mn0.993 SF -4 3 m5.601; 5.601; 5.601
90; 90; 90		175.71Ma, C.; Beckett, J. R.; Rossman, G. R.
Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite
American Mineralogist, 2012, 97, 2056-2059
9014939 CIFAl Ca0.984 Fe10.54 K0.902 Mg2.46 Na4.858 O50 P12C 1 c 116.549; 10.053; 24.618
90; 106.55; 90		3925.95Steele, I. M.
Arrojadite: variations in space group and composition based on four new refinements Sample: red06ye
General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9014940 CIFMn O4 V2F d -3 m :18.52; 8.52; 8.52
90; 90; 90		618.47Plumier, R.
Magnetisme - Etude par diffraction des neutrons du compose spinelle MnV2O4
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1962, 255, 2244-2246
9014941 CIFAl6.741 B3 Ca0.02 F0.1 Fe1.23 H3.09 K0.02 Mg0.978 Na0.86 O30.9 Si5.94 Ti0.111 Zn0.009R 3 m :H15.929; 15.929; 7.183
90; 90; 120		1578.39Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E.
Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions
American Mineralogist, 2010, 95, 1-10
9014942 CIFNi PP b c a6.036; 4.8684; 6.8788
90; 90; 90		202.138Dera, P.; Lazarz, J. D.; Lavina, B.
Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa
Journal of Solid State Chemistry, 2011, 184, 1997-2003
9014943 CIFC Ca O3P m c n4.9614; 7.9954; 5.7668
90; 90; 90		228.76Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 154 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9014944 CIFC Fe O3R -3 c :H4.514; 4.514; 13.34
90; 90; 120		235.402Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P14, P = 41.2 GPa
Physical Review B, 2010, 82, 064110-064118
9014945 CIFFe S0.5 Se0.5P 63 m c3.521; 3.521; 5.901
90; 90; 120		63.356Franz, E. D.
Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe)
Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280
9014946 CIFCa0.44 H22 Na1.56 O25 V5C 1 2/m 119.848; 10.1889; 13.1184
90; 130.187; 90		2026.68Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.
Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy
The Canadian Mineralogist, 2011, 49, 1243-1251
9014952 CIFCl2 FeR -3 m :H3.592; 3.592; 17.384
90; 90; 120		194.246Vettier, C.; Yelon, W. B.
The structure of FeCl2 at high pressures Note: P = 3.15 kbar
Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9014953 CIFAl2 Mg3 O12 Si3I a -3 d11.5291; 11.5291; 11.5291
90; 90; 90		1532.45Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 972.9 K
American Mineralogist, 2011, 96, 1593-1605
9014954 CIFLa0.09 Na1.74 Nb2 O6P b c m5.51; 5.5563; 15.567
90; 90; 90		476.587Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .58, La.09Na1.74Nb2O6
Inorganic Materials, 2004, 40, 1324-1330
9014956 CIFBa O9 Si3 TiP 3 1 c11.3177; 11.3177; 9.6293
90; 90; 120		1068.17Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa
American Mineralogist, 2012, 97, 1749-1763
9014959 CIFAl1.611 Fe0.391 Mg O4F d -3 m :28.1473; 8.1473; 8.1473
90; 90; 90		540.806Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = Untreated min
European Journal of Mineralogy, 2012, 24, 633-643
9014960 CIFAl2.9 Fe0.04 H2 K0.86 Mg0.06 Na0.1 O12 Si3C 1 2/c 15.1906; 9.008; 20.047
90; 95.757; 90		932.608Guven, N.
The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 muscovite
Zeitschrift fur Kristallographie, 1971, 134, 196-212
9014961 CIFAs Cl2 H O3 Pb2P 1 21/m 16.4235; 5.5399; 9.321
90; 90.767; 90		331.663Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P.
Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization
Mineralogical Magazine, 2012, 76, 597-602
9014962 CIFAl0.55 Ca2 Fe1.45 O5I 2 m b5.383; 14.61; 5.592
90; 90; 90		439.786Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 0.0001 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9014967 CIFAs Fe2 H19 O18 SP -17.549; 10.305; 10.904
115.136; 99.798; 92.864		749.581Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M.
Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O
Journal of Mineralogical and Petrological Sciences, 2012, 107, 133-148
9014968 CIFCu5 H2 O14 Pb2.04 Te2P 21 n m5.2; 9.6225; 11.534
90; 90; 90		577.127Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
American Mineralogist, 2010, 95, 1560-1568
9014971 CIFB5 Ca2 H7 O13P 1 21/c 111.58; 6.9844; 12.352
90; 110.573; 90		935.309Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K
The Canadian Mineralogist, 2011, 49, 823-834
9014973 CIFAs2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456I a -3 d12.4829; 12.4829; 12.4829
90; 90; 90		1945.12Nagashima, M.; Armbruster, T.
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
Mineralogical Magazine, 2012, 76, 1081-1097
9014974 CIFB11 Ca0.301 H7 O22 Sr1.699P 1 21 16.7127; 20.704; 6.6276
90; 119.209; 90		803.98Grice, J. D.; Pring, A.
Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p
American Mineralogist, 2012, 97, 489-495
9014975 CIFBa0.636 Cu O10 Si4 Sr0.364P 4/n c c :27.403; 7.403; 15.9357
90; 90; 90		873.347Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636
European Journal of Mineralogy, 2010, 22, 411-423
9014976 CIFCa4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74P -110.934; 10.991; 7.366
109.43; 109.6; 83.56		786.429Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.
Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
The Canadian Mineralogist, 2012, 50, 593-609
9014977 CIFFe0.093 Mg0.908 O3 SiP 1 21/c 117.87; 8.526; 4.9485
90; 92.88; 90		752.999Zhang, J. S.; Dera, P.; Bass, J. D.
A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa
American Mineralogist, 2012, 97, 1070-1074
9014978 CIFAg4 As5.78 S15 Sb1.22 Tl5P -18.92; 9.429; 20.062
79.66; 88.84; 62.72		1471.6Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R.
Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure
Mineralogical Magazine, 2012, 76, 1153-1163
9014979 CIFAl6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03R 3 m :H15.955; 15.955; 7.153
90; 90; 120		1576.93Clark, C. M.; Hawthorne, F. C.; Ottolini, L.
Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure
The Canadian Mineralogist, 2011, 49, 57-62
9014981 CIFCa4.16 Ce0.3 F2.96 La0.16 Mn0.02 Na2.08 Nb0.29 Nd0.08 O15.04 Pr0.04 Si4 Sr0.02 Ti0.67 Y0.08 Zr0.04P 1 21/c 17.4132; 5.6816; 18.8455
90; 101.37; 90		778.173Camara, F.; Sokolova, E.; Hawthorne, F. C.
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample H-08-02
Mineralogical Magazine, 2011, 75, 2755-2774
9014982 CIFAl7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003R 3 m :H15.8307; 15.8307; 7.1013
90; 90; 120		1541.23Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014983 CIFMg O3 SiP b c a17.933; 8.595; 5.0766
90; 90; 90		782.477Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa
American Mineralogist, 2012, 97, 1741-1748
9014984 CIFAl6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009R 3 m :H15.9476; 15.9476; 7.1578
90; 90; 120		1576.53Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42
European Journal of Mineralogy, 2012, 24, 695-715
9014985 CIFMg1.86 O4 Si0.94F d -3 m :28.1031; 8.1031; 8.1031
90; 90; 90		532.051Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K
American Mineralogist, 2012, 97, 573-582
9014986 CIFH2 OR -3 c :R7.6; 7.6; 7.6
70.1; 70.1; 70.1		375.394Engelhardt, H.; Kamb, B.
Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb
Journal of Chemical Physics, 1981, 75, 5887-5899
9014987 CIFMo O3P b n m3.9624; 13.86; 3.6971
90; 90; 90		203.041Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model
Powder Diffraction, 2009, 24, 315-326
9014989 CIFAl1.609 Fe0.389 Mg O4F d -3 m :28.1465; 8.1465; 8.1465
90; 90; 90		540.646Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min
European Journal of Mineralogy, 2012, 24, 633-643
9014990 CIFAl1.463 Fe0.537 Mg1.002 O4F d -3 m :28.1706; 8.1706; 8.1706
90; 90; 90		545.459Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min
European Journal of Mineralogy, 2012, 24, 633-643
9014993 CIFC H5 Cl Mg2 O6R 3 c :H22.6791; 22.6791; 7.22336
90; 90; 120		3217.52Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.
Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite
Powder Diffraction, 2007, 22, 64-67
9014995 CIFAl K0.983 O4 SiP 3 1 c5.156; 5.156; 8.745
90; 90; 120		201.334Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 150 K
American Mineralogist, 2010, 95, 1027-1034
9014998 CIFC H2 Cu0.94 Mg1.06 O5P 1 21/a 112.9181; 9.3923; 3.1622
90; 111.233; 90		357.626Perchiazzi, N.
Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite
Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510
9015000 CIFCr2 O3R -3 c :H4.957; 4.957; 13.5923
90; 90; 120		289.242Sawada, H.
Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: anharmonic/atomic scattering factor refinement
Materials Research Bulletin, 1994, 29, 239-245
9015002 CIFP2 PtP a -35.6956; 5.6956; 5.6956
90; 90; 90		184.764Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
9015003 CIFH8 O11 Sr V3P 1 21/m 15.313; 10.495; 8.568
90; 91.14; 90		477.657Bindi, L.; Carbone, C.; Cabella, R.; Lucchetti, G.
Bassoite, SrV3O7*4H2O, a new mineral from Molinello mine, Val Graveglia, eastern Liguria, Italy
Mineralogical Magazine, 2011, 75, 2677-2686
9015006 CIFAl7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6R 3 m :H15.8456; 15.8456; 7.1066
90; 90; 120		1545.29Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015007 CIFFe Nb0.2 O6 Ta1.8P 42/m n m4.7515; 4.7515; 9.254
90; 90; 90		208.925von Heidenstam, O.
Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Stalex diffractometer
Arkiv for Kemi, 1968, 28, 375-387
9015008 CIFB4 La4 O15 Si3P 31 2 16.827; 6.827; 6.779
90; 90; 120		273.625Belokoneva, E. L.; Shuvaeva, V. A.; Antipin M Yu; Leonyuk, N. I.
Crystal structure of a high-temperature modification of LaBSiO5, a synthetic analog of stillwellite Note: T = 473 K
Zhurnal Neorganicheskoi Khimii, 1996, 41, 1097-1101
9015009 CIFAg3 S3 SbR 3 c :H11.0464; 11.0464; 8.7211
90; 90; 120		921.602Laufek, F.; Sejkora, J.; Dusek, M.
The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study
Journal of Geosciences, 2010, 55, 161-167
9015010 CIFCl3 Fe0.52 Na21.48 O40 S10I -4 3 d15.882; 15.882; 15.882
90; 90; 90		4006.04Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles
Mineralogical Magazine, 2012, 76, 2773-2783
9015011 CIFB Ca H O3P 1 21/a 18.643; 9.523; 3.567
90; 119.23; 90		256.206Miura, H.; Kusachi, I.
Crystal structure of sibirskite (CaHBO3) by Monte Carlo simulation and Rietveld refinement
Journal of Mineralogical and Petrological Sciences, 2008, 103, 156-160
9015014 CIFBi2 Pb3 S6P b n m10.891; 22.638; 3.9926
90; 90; 90		984.377Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6
Inorganic Chemistry, 2008, 47, 6756-6762
9015015 CIFH6 Na2 O18 Si6 ZrP b c m7.1312; 14.6853; 14.6349
90; 90; 90		1532.62Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms
Crystallography Reports, 2011, 56, 832-841
9015019 CIFFeF m -3 m3.49; 3.49; 3.49
90; 90; 90		42.509Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 23.17 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015020 CIFAl1.46 Fe0.538 Mg O4F d -3 m :28.1701; 8.1701; 8.1701
90; 90; 90		545.359Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min
European Journal of Mineralogy, 2012, 24, 633-643
9015023 CIFMg1.92 O4 Si0.98F d -3 m :28.0976; 8.0976; 8.0976
90; 90; 90		530.969Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 489 K
American Mineralogist, 2012, 97, 573-582
9015024 CIFMg0.125 O1.872 Zr0.875F m -3 m5.0858; 5.0858; 5.0858
90; 90; 90		131.546Howard, C. J.; Hill, R. J.; Reichert, B. E.
Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111]
Acta Crystallographica, Section B, 1988, 44, 116-120
9015025 CIFAl Ca0.66 F5C 1 2/c 18.601; 6.2903; 7.219
90; 114.61; 90		355.091Balic-Zunic T; Garavelli, A.; Mitolo, D.; Acquafredda, P.; Leonardsen, E.
Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland
Mineralogical Magazine, 2012, 76, 751-760
9015026 CIFFe5 Si3P 63/m c m6.7169; 6.7169; 4.696
90; 90; 120		183.483Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 4.5 GPa
Solid State Sciences, 2004, 6, 673-678
9015028 CIFB F4 H4 NP n m a9.077; 5.679; 7.279
90; 90; 90		375.22Caron, A. P.; Ragle, J. L.
Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4
Acta Crystallographica, Section B, 1971, 27, 1102-1107
9015030 CIFAl7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6R 3 m :H15.853; 15.853; 7.12
90; 90; 120		1549.65Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015031 CIFDy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12I -4 2 d6.947; 6.947; 6.133
90; 90; 90		295.984Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T.
Atelisite-(Y), a new rare earth defect silicate of the KDP structure type
European Journal of Mineralogy, 2012, 24, 1053-1060
9015032 CIFFe O3 SiP -16.628; 7.467; 22.607
115.32; 80.56; 95.49		997.26Weber, H. P.
Ferrosilite III, the high-temperature polymorph of FeSiO3
Acta Crystallographica, Section C, 1983, 39, 1-3
9015033 CIFLa O6 Ta TiP n m a10.942; 7.5831; 5.4614
90; 90; 90		453.156Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9015034 CIFC0.2 H2.912 Al0.4 O3.056 Zn0.6R -3 m :H3.06616; 3.06616; 22.6164
90; 90; 120		184.138Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E.
Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R
American Mineralogist, 2012, 97, 513-523
9015035 CIFAl7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003R 3 m :H15.8636; 15.8636; 7.1119
90; 90; 120		1549.96Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015037 CIFFe1.4 Mn0.6 O4 SiP b n m4.84857; 10.55545; 6.14054
90; 90; 90		314.266Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J.
Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study
Mineralogical Magazine, 1998, 62, 607-615
9015039 CIFAl6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30P 1 c 113.4517; 12.5266; 26.6765
90; 101.582; 90		4403.57Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.
The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample
The Canadian Mineralogist, 2011, 49, 1221-1242
9015040 CIFAs3 Fe4 O21P -4 3 m7.98; 7.98; 7.98
90; 90; 90		508.17Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M.
The structure of H3O+ - exchanged pharmacosiderite
Mineralogical Magazine, 2010, 74, 487-492
9015042 CIFH14 O14 S Zn4P -38.33; 8.33; 10.54
90; 90; 120		633.375Groat, L. A.
The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.
American Mineralogist, 1996, 81, 238-243
9015045 CIFH2 OR -3 :R7.78; 7.78; 7.78
113.1; 113.1; 113.1		304.25Kamb, B.
Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa
Acta Crystallographica, 1964, 17, 1437-1449
9015046 CIFBa O9 Si3 TiP -6 c 26.6031; 6.6031; 9.71
90; 90; 120		366.645Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa
American Mineralogist, 2012, 97, 1749-1763
9015048 CIFAg4.5 Bi7.4 Pb0.6 S16 Sb1.5C 1 2/m 113.515; 4.098; 26
90; 93; 90		1438.02Ilinca, G.; Makovicky, E.
Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite
Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353
9015050 CIFBe OP 63 m c2.705; 2.705; 4.3927
90; 90; 120		27.835Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 763 K
Journal of Applied Physics, 1986, 59, 3728-3733
9015051 CIFAl1.46 Fe0.537 Mg1.002 O4F d -3 m :28.1698; 8.1698; 8.1698
90; 90; 90		545.298Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min
European Journal of Mineralogy, 2012, 24, 633-643
9015053 CIFCu1.894 H8 O11 Pb1.934 S1.15 Se0.85P 1 21/m 19.802; 5.675; 9.281
90; 102.443; 90		504.141Kampf, A. R.; Mills, S. J.; Housley, R. M.
The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA
Mineralogical Magazine, 2010, 74, 991-998
9015054 CIFCa O3 SnP b n m5.4538; 5.6162; 7.8006
90; 90; 90		238.93Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015055 CIFAl3 H O13 Pb2 Si3P n m a16.4529; 5.6432; 10.3631
90; 90; 90		962.183Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.
Synthesis of Pb-zoisite and Pb-lawsonite
Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110
9015056 CIFC Fe O3R -3 c :H4.355; 4.355; 12.54
90; 90; 120		205.97Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa
Physical Review B, 2010, 82, 064110-064118
9015059 CIFFe O2P 110.821; 6.002; 10.514
90; 92.6; 90		682.157Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined
American Mineralogist, 2010, 95, 1312-1322
9015061 CIFAl6.79 B O18 Si3P n m a4.6995; 11.779; 20.1671
90; 90; 90		1116.36Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.
The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67
The Canadian Mineralogist, 2012, 50, 855-872
9015062 CIFAl2 As2 H18 Mg O18P -15.4363; 10.5; 7.075
97.701; 110.295; 102.021		360.987Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G.
Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group
European Journal of Mineralogy, 2012, 24, 717-726
9015063 CIFAg0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23P -18.0929; 8.761; 22.497
90.868; 97.247; 90.793		1581.96Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H.
Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy
The Canadian Mineralogist, 2012, 50, 235-251
9015065 CIFFe2 O3R -3 c :H5.0249; 5.0249; 13.7163
90; 90; 120		299.932Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 15.4 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9015066 CIFC Ca O3R -3 c :H4.9769; 4.9769; 17.3479
90; 90; 120		372.131Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 556 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015067 CIFAl21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18R 3 m :H15.9083; 15.9083; 7.1229
90; 90; 120		1561.11Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF
American Mineralogist, 2013, 98, 297-303
9015068 CIFCu2 SP 1 21/c 115.246; 11.884; 13.494
90; 116.35; 90		2190.86Evans, H. T.
Crystal structure of low chalcocite
Nature Physical Science, 1971, 232, 69-70
9015070 CIFBa Cu2 Ge2 O7P n m a7.04765; 13.407; 7.02755
90; 90; 90		664.018Yamada, T.; Hiroi, Z.; Takano, M.
Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7
Journal of Solid State Chemistry, 2001, 156, 101-109
9015073 CIFC Ca O3R -3 c :H4.9759; 4.9759; 17.4486
90; 90; 120		374.14Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 681 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015074 CIFMg Mn O4 SiP n m a10.451; 6.12446; 4.80757
90; 90; 90		307.717Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Journal of Applied Crystallography, 1999, 32, 51-59
9015075 CIFC Fe O3R -3 c :H4.548; 4.548; 13.89
90; 90; 120		248.813Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P9, P = 28.62 GPa
Physical Review B, 2010, 82, 064110-064118
9015076 CIFFe SeP 63 m c3.636; 3.636; 5.946
90; 90; 120		68.077Franz, E. D.
Rontgenographische Daten der Mischphasen im System Pyrit (FeS2) - Ferroselit (FeSe2)/Pyrrhotin (FeS) - Achavalit (FeSe)
Neues Jahrbuch fur Mineralogie, Monatshefte, 1972, 1972, 276-280
9015077 CIFAl0.02 Ba3.92 Ca0.1 Fe0.17 Mg0.15 Mn0.38 Na2.16 Nb0.02 O26 P0.8 S1.02 Si4 Sr0.08 Ti2.96P 1 2/c 15.4206; 7.125; 29.314
90; 94.698; 90		1128.35Sokolova, E.; Camara, F.; Hawthorne, F. C.
From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-2M
Mineralogical Magazine, 2011, 75, 2495-2518
9015079 CIFBa0.193 Cu O10 Si4 Sr0.807P 4/n c c :27.3752; 7.3752; 15.6902
90; 90; 90		853.446Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193
European Journal of Mineralogy, 2010, 22, 411-423
9015080 CIFFe0.54 K Li Mn1.46 Na2 O24 Si8 Ti2C 1 2/c 116.41; 12.55; 10.03
90; 115.5; 90		1864.41Borisov, S. V.; Klevtsova, R. F.; Bakakin, V. V.; Belov, N. V.
The crystal structure of neptunite
Soviet Physics Crystallography, 1966, 10, 684-689
9015081 CIFC13 H10P n a m8.49; 5.721; 18.97
90; 90; 90		921.397Burns, D. M.; Iball, J.
The crystal and molecular structure of fluorene Note: Positions of hydrogen atoms were not given
Proceedings of the Royal Society of London A, 1955, 227, 200-214
9015083 CIFMg WP 1 2/c 14.68; 5.66; 4.92
90; 89.67; 90		130.323Broch, E.
Untersuchungen ueber Kristallstrukturen des Wolframittypus und des Scheelittypus _cod_database_code 1010642
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo, 1929, 1, 1-618
9015084 CIFAl2 Ca6 H64 O50 S3P 3 1 c11.229; 11.229; 21.478
90; 90; 120		2345.34Goetz-Neunhoeffer F; Neubauer, J.
Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis
Powder Diffraction, 2006, 21, 4-11
9015085 CIFAl1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.425 O18.912 Si6P 6/m c c9.2909; 9.2909; 9.1996
90; 90; 120		687.726Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L.
Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray
The Canadian Mineralogist, 2010, 48, 597-613
9015086 CIFAl0.78 Ca1.5 H54.64 O45.32 P3 V5.22I -4 3 m15.441; 15.441; 15.441
90; 90; 90		3681.51Kampf, A. R.; Nash, B. P.; Loomis, T. A.
Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba
American Mineralogist, 2013, 98, 439-443
9015087 CIFO2 SiP 41 21 24.9501; 4.9501; 6.9259
90; 90; 90		169.709Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.2 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9015088 CIFAl H0.08 O2A m a m3.693; 12.221; 2.865
90; 90; 90		129.304Hill, R. J.
Hydrogen atoms in boehmite: A single crystal X-ray diffraction and molecular orbital study
Clays and Clay Minerals, 1981, 29, 435-445
9015090 CIFAl7.53 B3.18 Ca0.03 F0.63 Fe0.03 H3.33 Li1.02 Mn0.39 Na0.66 O30.36 Si5.82R 3 m :H15.846; 15.846; 7.119
90; 90; 120		1548.06Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Elbaite 55224
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015091 CIFBa0.5 Cu O10 Si4 Sr0.5P 4/n c c :27.39428; 7.39428; 15.8573
90; 90; 90		867.004Knight, K. S.; Henderson, C. M. B.
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K
European Journal of Mineralogy, 2007, 19, 189-200
9015092 CIFAs2 Fe0.37 Ni0.63P n n m5.3971; 6.1893; 2.9539
90; 90; 90		98.673Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.
Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
Acta Chemica Scandinavica A, 1979, 33, 469-480
9015095 CIFAs3 RhI m -38.4507; 8.4507; 8.4507
90; 90; 90		603.501Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9015096 CIFAl2.925 H6.147 K0.876 Na0.071 O14.049 S2R -3 m :H6.9771; 6.9771; 17.36
90; 90; 120		731.864Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.
Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 100 C
Mineralogical Magazine, 2012, 76, 613-623
9015097 CIFBi2.5 Cu Pb2.5 S7P b m n14.387; 21.011; 4.046
90; 90; 90		1223.05Kohatsu, I.; Wuensch, B. J.
The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7
Zeitschrift fur Kristallographie, 1973, 138, 343-365
9015099 CIFCa10 O24 P6 SeP -39.5007; 9.5007; 6.8406
90; 90; 120		534.732Henning, P. A.; Adolfsson, E.; Grins, J.
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Zeitschrift fur Kristallographie, 2000, 215, 226-230
9015102 CIFAl6.63 B3 Ca0.29 H3.75 K0.02 Mg2.37 Na0.6 O31 Si6R 3 m :H15.923; 15.923; 7.201
90; 90; 120		1581.15Schmetzer, K.; Nuber, B.; Abraham, K.
Zur Kristallchemie Magnesium-reicher Turmaline
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112
9015104 CIFFe5 Si3P 63/m c m6.7277; 6.7277; 4.695
90; 90; 120		184.035Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 3.6 GPa
Solid State Sciences, 2004, 6, 673-678
9015105 CIFFeF m -3 m3.498; 3.498; 3.498
90; 90; 90		42.802Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 21.57 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015106 CIFFe6 H17 O27 P4C 1 2/c 120.953; 5.171; 19.266
90; 93.34; 90		2083.89Moore, P. B.; Kampf, A. R.
Beraunite: Refinement, comparative crystal chemistry, and selected bond valences
Zeitschrift fur Kristallographie, 1992, 201, 263-281
9015108 CIFCl H12F m -3 m5.482; 5.482; 5.482
90; 90; 90		164.747Niimura, N.; Shimaoka, K.; Motegi, H.; Hoshino, S.
Crystal structure and phase transition of hydrogen chloride Note: this phase is stable above 120 K Note: T = 135 K
Journal of the Physical Society of Japan, 1972, 32, 1019-1026
9015109 CIFAl1.462 Fe0.538 Mg1.001 O4F d -3 m :28.1706; 8.1706; 8.1706
90; 90; 90		545.459Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min
European Journal of Mineralogy, 2012, 24, 633-643
9015110 CIFFe3 SiF m -3 m5.655; 5.655; 5.655
90; 90; 90		180.841Farquhar, M. C. M.; Lipson, H.; Weill, A. R.
An X-ray study of iron-rich iron-silicon alloys
Journal of the Iron and Steel Institute, 1945, 152, 457-472
9015111 CIFCl Fe2 H3 O12 Te4P -15.1129; 6.6481; 9.0079
73.347; 78.053; 76.709		282.2Kampf, A. R.; Mills, S. J.
The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite
Journal of Geosciences, 2011, 56, 235-247
9015113 CIFAl0.08 Ca0.96 F0.16 Fe6.55 H12.38 K0.14 Mg0.14 Mn0.35 Na0.12 Nb0.06 O34.64 Si7.92 Ti1.86 Zr0.04P -15.329; 11.803; 11.822
101.14; 98.224; 102.442		699.079Khomyakov, A. P.; Cámara F; Sokolova, E.; Abdu, Y.; Hawthorne, F. C.
Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure
Mineralogical Magazine, 2011, 75, 2687-2702
9015115 CIFB Ca H O5 SiP 1 21/c 14.8332; 7.6082; 9.6342
90; 90.147; 90		354.267Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study
American Mineralogist, 2010, 95, 1413-1421
9015116 CIFCa3.7 Ce0.9 F3.5 Na2.4 O14.5 Si4 TiP 21 1 15.679; 7.412; 18.836
101.26; 90; 90		777.597Rastsvetaeva, R. K.; Borutskii, B. E.; Shlyukova, Z. V.
Crystal structure of Hibbing rinkite
Soviet Physics Crystallography, 1991, 36, 349-351
9015117 CIFO0.984 Y0.065 Zr0.935P 42/n m c3.6055; 3.6055; 5.1797
90; 90; 90		67.334Howard, C. J.; Hill, R. J.; Reichert, B. E.
Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction
Acta Crystallographica, Section B, 1988, 44, 116-120
9015118 CIFAl Fe3 H36 O42 S6P -3 1 c10.917; 10.917; 17.0829
90; 90; 120		1763.19Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals
The Canadian Mineralogist, 2010, 48, 323-333
9015119 CIFN4 O14 P2 TeP -111.51; 6.484; 6.329
118.15; 105.8; 84.36		400.48Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.
Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O)
Acta Crystallographica, Section B, 1979, 35, 1444-1447
9015122 CIFBi2 Pb3 S6B b m m13.535; 20.451; 4.104
90; 90; 90		1136.01Takagi, J.; Takeuchi, Y.
The crystal structure of lillianite
Acta Crystallographica, Section B, 1972, 28, 649-651
9015123 CIFIr Sb3I m -39.2533; 9.2533; 9.2533
90; 90; 90		792.3Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9015124 CIFCa1.784 Fe1.72 K0.1 Mg3.494 Na1.058 O24 Si8C 1 2/m 19.8165; 18.0126; 5.3002
90; 105.38; 90		903.623Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.0001 GPa
American Mineralogist, 2010, 95, 1042-1051
9015125 CIFO7 Si2 Sr VA m a m7.06; 14.64; 5.33
90; 90; 90		550.9Takeuchi, Y.; Joswig, W.
The structure of haradaite and a note on the Si-O bond lengths in silicates
Mineralogical Journal, 1967, 5, 98-123
9015126 CIFAl2 Cu O4F d -3 m :28.0793; 8.0793; 8.0793
90; 90; 90		527.377Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h
American Mineralogist, 2012, 97, 1821-1827
9015127 CIFCu3 O8 V2P 1 21/c 16.2493; 7.9936; 6.3776
90; 111.49; 90		296.441Shannon, R. D.; Calvo, C.
Crystal structure of a new form of Cu3V2O8
Canadian Journal of Chemistry, 1972, 50, 3944-3949
9015129 CIFBa0.02 Ca0.88 H12.88 K1.34 Na1.64 Nb1.12 O34.44 Si8 Sr0.04 Ti2.88C 1 2/m 114.529; 14.203; 7.899
90; 117.37; 90		1447.53Azarova, Y. V.; Shlyukova, Z. V.; Zolotarev, A. A.; Organova, N. I.
Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group mineral species and its place in low-temperature mineral formation in pegmatites of the Khibiny Pluton, Kola Peninsula, Russia
Geology of Ore Deposits, 2009, 51, 774-783
9015130 CIFH8 O12 S2 UP n m a14.674; 11.093; 5.688
90; 90; 90		925.885Kierkegaard, P.
The crystal structure of U(SO4)2*4H2O
Acta Chemica Scandinavica, 1956, 10, 599-616
9015131 CIFAl0.666 OF m -3 m3.95; 3.95; 3.95
90; 90; 90		61.63Verwey, E. J. W.
Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3
Zeitschrift fur Kristallographie, 1935, 91, 317-320
9015134 CIFAl5.46 B3 Ca0.54 F0.62 Fe0.02 H3.33 Li0.006 Mg3.5 Na0.42 O30.38 Si5.99 Ti0.06R 3 m :H15.973; 15.973; 7.213
90; 90; 120		1593.75Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Uvite 52210
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015135 CIFCa0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2P 1 21/a 110.8044; 9.7945; 7.0532
90; 108.056; 90		709.639Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.
Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
The Canadian Mineralogist, 2012, 50, 593-609
9015137 CIFH6 Mg3.84 O19 Si6P n c n13.3765; 27.085; 5.2757
90; 90; 90		1911.4Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G
Variability in sepiolite: Diffraction studies Note: Sample NOR225 Note: T = 225 C
American Mineralogist, 2011, 96, 1443-1454
9015138 CIFH15.716 K3.762 O41.858 Si10 U4C 1 2/m 114.1957; 14.2291; 9.6305
90; 111.578; 90		1808.95Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R.
Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O
American Mineralogist, 2012, 97, 750-754
9015139 CIFAl K0.985 O4 SiP 3 1 c5.1627; 5.1627; 8.7392
90; 90; 120		201.723Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 225 K
American Mineralogist, 2010, 95, 1027-1034
9015141 CIFAg As1.89 Mn1.6 Pb2.28 S12 Sb3.15P 1 21/n 119.233; 12.633; 8.476
90; 90.08; 90		2059.42Bindi, L.; Keutsch, F. N.; Bonazzi, P.
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II
American Mineralogist, 2012, 97, 440-446
9015142 CIFC H7 Cl Mg2 O7R 3 c :H23.14422; 23.14422; 7.22333
90; 90; 120		3350.84Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.
Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite
Journal of Applied Crystallography, 2006, 39, 739-744
9015143 CIFAl0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3P 15.4027; 7.0656; 10.2178
99.816; 99.624; 90.085		378.747Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N.
Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family
Doklady Chemistry, 2011, 437, 90-94
9015144 CIFAl3 As2 H6 La O14R -3 m :H7.0316; 7.0316; 16.5151
90; 90; 120		707.164Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M.
Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure
European Journal of Mineralogy, 2010, 22, 613-621
9015148 CIFNa Nb0.85 O2.925 Ti0.15P b m a5.5396; 15.5705; 5.5087
90; 90; 90		475.149Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15
Chemistry of Materials, 2003, 15, 1872-1878
9015149 CIFC Ca O3P m c n4.9703; 8.0272; 5.8087
90; 90; 90		231.753Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 337 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015150 CIFCa2.862 O12 Si3 V1.902I a -3 d12.089; 12.089; 12.089
90; 90; 90		1766.73Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.
The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090044
American Mineralogist, 2011, 96, 1278-1290
9015151 CIFAl Ba0.06 Ca0.23 Fe11.69 K0.68 Mg1.85 Na4.459 O50 P12 Sr0.23C 1 c 116.531; 10.004; 24.644
90; 105.943; 90		3918.77Steele, I. M.
Arrojadite: variations in space group and composition based on four new refinements Sample: arropala
General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9015152 CIFC Ca O3P m c n4.9672; 8.0157; 5.7938
90; 90; 90		230.684Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 275 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015155 CIFFe1.001 Nb0.13 O6 Ta1.871P 42/m n m4.7516; 4.7516; 9.2856
90; 90; 90		209.648Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q2, treated at 600 C for 20 min
Mineralogical Magazine, 2006, 70, 319-328
9015157 CIFCa O3 SnP b n m5.4676; 5.6267; 7.8186
90; 90; 90		240.536Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 3.94 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015158 CIFBe D2 O2P 21 21 214.5336; 4.6255; 7.0384
90; 90; 90		147.596Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: Neutron diffraction
Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9015159 CIFAs Cu3 H3 O7P 1 21/c 17.24; 6.46; 12.38
90; 99.5; 90		571.077Ghose, S.; Fehlmann, M.; Sundaralingam, M.
The crystal structure of clinoclase, Cu3AsO4(OH)3
Acta Crystallographica, 1965, 18, 777-787
9015162 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7561; 4.7561; 9.203
90; 90; 90		208.176Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q3, treated at 700 C for 450 min
Mineralogical Magazine, 2006, 70, 319-328
9015163 CIFAl0.223 Fe0.141 H4 Mg2.742 O9 Si1.888P 3 1 m5.3259; 5.3259; 7.2726
90; 90; 120		178.651Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.
The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T
The Canadian Mineralogist, 2011, 49, 1045-1054
9015166 CIFFeF m -3 m3.569; 3.569; 3.569
90; 90; 90		45.461Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 8.02 GPa, T = 1073 K
American Mineralogist, 2012, 97, 1417-1420
9015167 CIFC Fe O3R -3 c :H4.519; 4.519; 13.47
90; 90; 120		238.223Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P12, P = 38.5 GPa
Physical Review B, 2010, 82, 064110-064118
9015170 CIFAs2.847 Ca2.1 Mg1.762 Mn0.238 Na0.9 O12 Si0.12I a -3 d12.345; 12.345; 12.345
90; 90; 90		1881.37Nagashima, M.; Armbruster, T.
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
Mineralogical Magazine, 2012, 76, 1081-1097
9015172 CIFFe0.2 Li0.84 Mn0.8 O4 PP b n m4.7403; 10.4145; 6.0795
90; 90; 90		300.132Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.
A structural study of the lithiophilite-sicklerite series Sample 3, yellow
The Canadian Mineralogist, 2012, 50, 843-854
9015173 CIFB4.56 F2.32 Mg8 O13.68P n a 2120.44; 4.53; 11.8
90; 90; 90		1092.6Brovkin, A. A.; Nikishova, L. V.
The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3)
Soviet Physics - Crystallography, 1975, 20, 452-455
9015174 CIFFe Nb1.2 O6 Ta0.8P b c n14.2737; 5.73543; 5.0554
90; 90; 90		413.864dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M.
Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6
Brazilian Journal of Physics, 2001, 31, 616-631
9015179 CIFAl1.608 Fe0.388 Mg1.002 O4F d -3 m :28.1483; 8.1483; 8.1483
90; 90; 90		541.005Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min
European Journal of Mineralogy, 2012, 24, 633-643
9015181 CIFAl2 Mg3 O12 Si3I a -3 d11.4641; 11.4641; 11.4641
90; 90; 90		1506.68Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 373.5 K
American Mineralogist, 2011, 96, 1593-1605
9015182 CIFCu29 S16P -113.409; 13.4051; 15.4852
90.022; 90.021; 90.02		2783.45Mumme, W. G.; Gable, R. W.; Petricek, V.
The crystal structure of roxbyite, Cu58S32
The Canadian Mineralogist, 2012, 50, 423-430
9015183 CIFAl1.61 Fe0.388 Mg O4F d -3 m :28.1477; 8.1477; 8.1477
90; 90; 90		540.885Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min
European Journal of Mineralogy, 2012, 24, 633-643
9015184 CIFBa0.402 Cu O10 Si4 Sr0.598P 4/n c c :27.38801; 7.38801; 15.8265
90; 90; 90		863.853Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402
European Journal of Mineralogy, 2010, 22, 411-423
9015185 CIFFe8 O17P 110.821; 6.002; 10.514
90; 92.6; 90		682.157Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 2, positions of sulfate groups not determined
American Mineralogist, 2010, 95, 1312-1322
9015188 CIFAl7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003R 3 m :H15.8303; 15.8303; 7.1017
90; 90; 120		1541.24Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015189 CIFHg2 I OC 1 2/c 117.603; 6.981; 6.701
90; 101.61; 90		806.615Stalhandske, C.; Aurivillius, K.; Bertinsson, G. I.
Structure of mercury(I,II) iodide oxide, Hg2OI
Acta Crystallographica, Section C, 1985, 41, 167-168
9015191 CIFBe OP 63 m c2.6983; 2.6983; 4.3776
90; 90; 120		27.602Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in cell
Journal of Applied Physics, 1986, 59, 3728-3733
9015192 CIFMg Mn O4 SiP n m a10.451; 6.12446; 4.80757
90; 90; 90		307.717Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Journal of Applied Crystallography, 1999, 32, 51-59
9015194 CIFBa O9 Si3 TiP -6 c 26.5518; 6.5518; 9.6503
90; 90; 120		358.751Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa
American Mineralogist, 2012, 97, 1749-1763
9015195 CIFAs Cu1.45 Fe0.55 O5P n n m8.6235; 8.2757; 5.9501
90; 90; 90		424.632Mills, S. J.; Kampf, A. R.; Poirier, G.; Raudsepp, M.; Steele, I. M.
Auriacusite, Fe3+Cu2+AsO4O, the first M3+ member of the olivenite group, from the Black Pine mine, Montana, USA
Mineralogy and Petrology, 2010, 99, 113-120
9015197 CIFAl2.21 Ca2 Fe0.58 H Mn0.21 O13 Si3P 1 21/m 18.898; 5.6549; 10.1752
90; 115.428; 90		462.39Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.75, run 27
American Mineralogist, 2010, 95, 1237-1246
9015198 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.514; 12.514; 5.034
90; 90; 120		682.71Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 1.39 GPa
American Mineralogist, 2012, 97, 872-882
9015199 CIFCl2 F12 Pb7P -610.267; 10.267; 3.9844
90; 90; 120		363.731Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R.
Laurelite: Its crystal structure and relationship to alpha-PbF2 Note: Re-examination of the crystal by H Yang and A Kampf showed that it was twinned, and the partially occupied sites were relicts.
American Mineralogist, 1996, 81, 1277-1281
9015201 CIFBi2 Pb Se4R -3 m :H4.16; 4.16; 39.2
90; 90; 120		587.494Agaev, K. A.; Semiletov, S. A.
Electron diffraction study of the structure of PbBi2Se4
Kristallografiya, 1968, 13, 258-260
9015202 CIFAl1.609 Fe0.388 Mg1.001 O4F d -3 m :28.1476; 8.1476; 8.1476
90; 90; 90		540.865Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min
European Journal of Mineralogy, 2012, 24, 633-643
9015204 CIFAl6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.026 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006R 3 m :H15.935; 15.935; 7.16
90; 90; 120		1574.52Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V.
Linking structure and chemistry in the schorl-dravite series Sample O-T16-92
American Mineralogist, 1999, 84, 922-928
9015206 CIFCu1.95 SeF m -3 m5.787; 5.787; 5.787
90; 90; 90		193.803Yamamoto, K.; Kashida, S.
X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 2, T = 433 K
Journal of Solid State Chemistry, 1991, 93, 202-211
9015207 CIFFe Ge3 H4 O10 PbP 1 21/m 15.8279; 13.615; 6.3097
90; 127.314; 90		398.184Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W.
The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite
American Mineralogist, 2012, 97, 1812-1815
9015208 CIFH2 OP 63/m m c4.497479; 4.497479; 7.322382
90; 90; 120		128.269Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I.
No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH
Journal of Chemical Physics, 2004, 120, 11376-11379
9015211 CIFAl7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6R 3 m :H15.856; 15.856; 7.1079
90; 90; 120		1547.6Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.
A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data
Physics and Chemistry of Minerals, 2012, 39, 577-588
9015212 CIFAl3.9 Ca1.95 H26 O37 Si8.1R -3 m :R9.42; 9.42; 9.42
94.28; 94.28; 94.28		828.533Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S.
Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature
Acta Crystallographica, 1963, 16, 45-53
9015213 CIFAl2 H4 O10 Pb Si2P b n m5.85; 9.03; 13.31
90; 90; 90		703.107Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.
Synthesis of Pb-zoisite and Pb-lawsonite
Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110
9015214 CIFMg1.84 O4 Si0.93F d -3 m :28.143; 8.143; 8.143
90; 90; 90		539.95Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 736 K
American Mineralogist, 2012, 97, 573-582
9015215 CIFAs2 Cu3 O8P 1 21/c 16.306; 8.643; 11.31
90; 92.26; 90		615.947Starova, G. L.; Vergasova, L. P.; Filatov, S. K.; Britvin S N. Ananyev V V
Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great Fissure Tolbachic eruption (Kamchatka, Russia)
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 46-51
9015217 CIFFe24.97 Mg35.53 O108 Sb20.496F d -3 m :225.93; 25.93; 25.93
90; 90; 90		17434.4Bonazzi, P.; Chelazzi, L.; Bindi, L.
Superstructure, crystal chemistry, and cation distribution in filipstadite, a Sb5±bearing, spinel-related mineral
American Mineralogist, 2013, 98, 361-366
9015218 CIFAl1.609 Fe0.389 Mg O4F d -3 m :28.1482; 8.1482; 8.1482
90; 90; 90		540.985Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min
European Journal of Mineralogy, 2012, 24, 633-643
9015219 CIFFe O4 PP b n m4.76; 9.68; 5.819
90; 90; 90		268.121Bjorling, C. O.; Westgren, A.
Minerals of the Varustrask Pegmatite. IX. X-ray studies of triphylite, varulite and their oxidation products
Geologiska Foreningens i Stockholm Forhandlingar, 1938, 60, 67-72
9015222 CIFNd O6 Ta TiP n m a10.9771; 7.5051; 5.3602
90; 90; 90		441.596Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9015224 CIFAs2 Cu5 O12P -16.121; 6.251; 6.79
92.93; 111.3; 107.47		227.109Tillmanns, E.; Hofmeister, W.; Petitjean, K.
Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals, mineralogical description and crystal structure
Bulletin of the Geological Society of Finland, 1985, 57, 119-127
9015225 CIFAl13.571 B3.58 Fe0.8 Mg1.634 O37 Si4P -17.98539; 8.15541; 11.4021
110.436; 110.872; 84.678		649.732Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P.
Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure
European Journal of Mineralogy, 2011, 23, 577-589
9015226 CIFCa9 F0.96 O17.04 Si4P 21/b 1 15.0687; 11.3579; 15.4004
100.598; 90; 90		871.474Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S.
Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
American Mineralogist, 2012, 97, 1998-2006
9015227 CIFCa3.46 F2 Na2.1 O20 Si8 Sr0.3P -17.788; 18.941; 6.995
90.17; 116.78; 94.16		918.013Rozhdestvenskaya, I. V.; Nikishova, L. V.
Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from Yakutian charoitites: agrellite polytypes
Crystallography Reports, 1998, 43, 589-597
9015228 CIFAs3 Ca4 H9 O16P 1 21/c 15.8279; 10.1802; 22.8944
90; 96.943; 90		1348.35Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.
The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075
The Canadian Mineralogist, 2011, 49, 1055-1064
9015230 CIFAs Cd Cu H O5P n m a7.415; 5.89; 9.016
90; 90; 90		393.768Effenberger, H.
CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type
Zeitschrift fur Kristallographie, 2002, 19, 85-85
9015234 CIFCu Fe S2I -4 2 d5.29; 5.29; 10.4217
90; 90; 90		291.642Knight, K. S.; Marshall, W. G.; Zochowski, S. W.
The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K
The Canadian Mineralogist, 2011, 49, 1015-1034
9015236 CIFBa O3 TiR 3 m :R4.00385; 4.00385; 4.00385
89.843; 89.843; 89.843		64.184Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 130 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9015238 CIFCa12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69P 1 21/m 132.11; 19.77; 7.23
90; 95.85; 90		4565.81Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S.
Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96
Mineralogical Magazine, 2011, 75, 2833-2846
9015242 CIFCa3 H30 O25.66 S1.82 SiP 63/m11.1548; 11.1548; 10.5702
90; 90; 120		1139.04Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E.
Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany
The Canadian Mineralogist, 2012, 50, 55-63
9015244 CIFCl2 FeR -3 m :H3.603; 3.603; 17.536
90; 90; 120		197.147Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C.
Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2
Physical Review, 1959, 113, 497-507
9015245 CIFAl6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009R 3 m :H15.987; 15.987; 7.163
90; 90; 120		1585.47Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12
European Journal of Mineralogy, 2012, 24, 695-715
9015246 CIFCa O12.18 Si4 VP n m a9.39; 13.11; 9.39
90; 90; 90		1155.94Danisi, R. M.; Armbruster, T.; Lazic, B.
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C
American Mineralogist, 2012, 97, 1874-1880
9015247 CIFMg1.8 O4 Si0.97F d -3 m :28.1115; 8.1115; 8.1115
90; 90; 90		533.708Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K, split Si model
American Mineralogist, 2012, 97, 573-582
9015248 CIFAl0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7R 3 c :H10.359; 10.359; 37.0857
90; 90; 120		3446.46Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds
The Canadian Mineralogist, 2011, 49, 1065-1078
9015251 CIFO5 Pb3 SeC m c 2110.5384; 10.7452; 5.7577
90; 90; 90		651.986Kampf, A. R.; Mills, S. J.; Pinch, W. W.
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
Mineralogy and Petrology, 2011, 101, 75-80
9015253 CIFCa3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03P 1 21/c 17.4328; 5.6595; 18.8181
90; 101.353; 90		776.112Camara, F.; Sokolova, E.; Hawthorne, F. C.
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 1991c
Mineralogical Magazine, 2011, 75, 2755-2774
9015255 CIFEu2 O7 Ta2C m c m3.9542; 27.142; 5.692
90; 90; 90		610.893Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.
Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
Zeitschrift fur Kristallographie, 1996, 211, 547-548
9015256 CIFAl2.01 Cu0.01 Mg0.99 O4F d -3 m :28.0853; 8.0853; 8.0853
90; 90; 90		528.553Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b
American Mineralogist, 2012, 97, 1821-1827
9015258 CIFFeF m -3 m3.533; 3.533; 3.533
90; 90; 90		44.099Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 15.58 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015259 CIFAl7.29 Fe0.71 H42 O48 P6P 1 21/n 110.604; 16.608; 20.647
90; 98.848; 90		3592.9Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G.
The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O
Mineralogical Magazine, 2012, 76, 517-534
9015260 CIFC Fe O3R -3 c :H4.527; 4.527; 13.57
90; 90; 120		240.842Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P11, P = 36.3 GPa
Physical Review B, 2010, 82, 064110-064118
9015264 CIFCl F O Pb2I 4/m m m4.065; 4.065; 12.631
90; 90; 90		208.717Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J.
Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides
Mineralogical Magazine, 2012, 76, 1247-1255
9015265 CIFRh Sb3I m -39.2322; 9.2322; 9.2322
90; 90; 90		786.893Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9015266 CIFAl2 Ca0.019 H4 O10 Si2 Sr0.981P 1 21/m 15.4222; 13.2778; 5.8584
90; 124.42; 90		347.929Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU89
American Mineralogist, 2010, 95, 724-735
9015267 CIFCu3 Mo1.94 O9 S0.06P n m a7.6638; 6.867; 14.5554
90; 90; 90		766.012Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y.
Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia
European Journal of Mineralogy, 2012, 24, 749-757
9015268 CIFAl8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8R 3 m :H15.723; 15.723; 7.068
90; 90; 120		1513.21Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.
Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11
American Mineralogist, 2012, 97, 1591-1597
9015269 CIFAl2 Ca0.807 H4 O10 Si2 Sr0.193C m c m5.8457; 8.8286; 13.1834
90; 90; 90		680.387Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62
American Mineralogist, 2010, 95, 724-735
9015271 CIFAl2.46 Cu2.86 H36 O36 Sb3 Zn3.68R -3 :H5.34; 5.34; 88.01
90; 90; 120		2173.43Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.
Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type
Mineralogical Magazine, 2012, 76, 1337-1345
9015272 CIFAl2 Cu0.24 Mg0.76 O4F d -3 m :28.0867; 8.0867; 8.0867
90; 90; 90		528.827Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw
American Mineralogist, 2012, 97, 1821-1827
9015273 CIFFe1.1 Mg0.75 Mn0.15 O4 SiP b n m4.809; 10.42; 6.08
90; 90; 90		304.667Hazen, R. M.
Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 300 deg C, P = 1 atm
American Mineralogist, 1977, 62, 286-295
9015274 CIFMg2 O4 SiI m m a5.7321; 11.4998; 8.3163
90; 90; 90		548.194Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.
High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K
American Mineralogist, 2012, 97, 1582-1590
9015276 CIFC0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3P 6312.75; 12.75; 5.14
90; 90; 120		723.626Jarchow, O.
Atomanordnung und Strukturverfeinerung von Cancrinit
Zeitschrift fur Kristallographie, 1965, 122, 407-422
9015277 CIFLa0.3 Nb2 O6 Sr0.7P n m a11.053; 7.64; 5.556
90; 90; 90		469.176Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Materials Research Bulletin, 1994, 29, 743-749
9015279 CIFNb2 Nd0.67 O6P m m m3.8809; 3.9049; 7.838
90; 90; 90		118.781Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = 0
Inorganic Materials, 2004, 40, 1324-1330
9015281 CIFAl3 Ca2 H O13 Si3P n m a16.0845; 5.477; 9.8785
90; 90; 90		870.245Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 5.145 GPa
American Mineralogist, 2012, 97, 1165-1176
9015282 CIFFe2.856 H6.73 Na0.75 O14 S2C 1 2/m 112.74852; 7.34697; 6.98243
90; 127.197; 90		520.945Scarlett, N. V. Y.; Grey, I. E.; Brand, H. E. A.
Ordering of iron vacancies in monoclinic jarosites Note: T = 95 C
American Mineralogist, 2010, 95, 1590-1593
9015284 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.447; 12.447; 5.006
90; 90; 120		671.662Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 2.33 GPa
American Mineralogist, 2012, 97, 872-882
9015285 CIFMg1.9 O4 SiF d -3 m :28.086; 8.086; 8.086
90; 90; 90		528.69Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 350 K
American Mineralogist, 2012, 97, 573-582
9015286 CIFB Ca H O5 SiP 1 21/c 14.833; 7.6074; 9.631
90; 90.175; 90		354.097Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 250 K
American Mineralogist, 2010, 95, 1413-1421
9015291 CIFAl1.461 Fe0.538 Mg1.001 O4F d -3 m :28.169; 8.169; 8.169
90; 90; 90		545.138Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min
European Journal of Mineralogy, 2012, 24, 633-643
9015293 CIFCu2 SeF m -3 m5.787; 5.787; 5.787
90; 90; 90		193.803Yamamoto, K.; Kashida, S.
X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (high) Model 1, T = 433 K
Journal of Solid State Chemistry, 1991, 93, 202-211
9015294 CIFAl3 Ca2 H O13 Si3P n m a16.0796; 5.4721; 9.869
90; 90; 90		868.365Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 5.533 GPa
American Mineralogist, 2012, 97, 1165-1176
9015295 CIFC H O4 TmP 21 21 216.9028; 4.7833; 8.5086
90; 90; 90		280.938Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015296 CIFCl2 FeR -3 m :H3.598; 3.598; 17.481
90; 90; 120		195.983Vettier, C.; Yelon, W. B.
The structure of FeCl2 at high pressures Note: P = 1.04 kbar
Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9015299 CIFNb2 O6 SrP n m a10.9862; 7.7223; 5.5944
90; 90.372; 90		474.612Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Materials Research Bulletin, 1994, 29, 743-749
9015302 CIFAs Pb S4 SbP 1 21/c 18.527; 7.971; 20.102
90; 101.814; 90		1337.36Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A.
The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem
The Canadian Mineralogist, 2012, 50, 253-265
9015304 CIFAl2 Cu0.12 Mg0.88 O4F d -3 m :28.0857; 8.0857; 8.0857
90; 90; 90		528.631Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw
American Mineralogist, 2012, 97, 1821-1827
9015305 CIFAl0.37 Ca2 Fe1.63 O5P n m a5.3769; 14.6032; 5.5712
90; 90; 90		437.45Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 2.015 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015308 CIFMg O6 Sb2P 42/m n m4.63; 4.63; 9.21
90; 90; 90		197.434Bystrom, A.; Hok, B.; Mason, B.
The crystal structure of zinc metantimonate and similar compounds
Arkiv for Kemi, Mineralogi och Geologi, 1942, 1-8
9015309 CIFO2 SiP 1 21/c 17.803; 4.382; 8.366
90; 118.7; 90		250.913Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 10.1 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9015312 CIFAs2 Ca H4 O8P -18.558; 7.697; 5.721
92.35; 109.52; 109.59		329.621Ferraris, G.; Jones, D. W.; Yerkess, J.
A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2
Acta Crystallographica, Section B, 1972, 28, 2430-2437
9015314 CIFCa H8 O15 Si4 VP c m n9.7614; 13.6666; 9.6049
90; 90; 90		1281.34Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.
The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K
The Canadian Mineralogist, 2011, 49, 1267-1272
9015315 CIFAl2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3P 1 21/m 18.8897; 5.7308; 10.101
90; 115.166; 90		465.751Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R.
Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden
American Mineralogist, 2012, 97, 983-988
9015316 CIFC0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18P 6312.625; 12.625; 5.122
90; 90; 120		707.022Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1
The Canadian Mineralogist, 2012, 49, 1129-1150
9015318 CIFCa0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88P 4/m c c7.58; 7.58; 14.77
90; 90; 90		848.631Prichard, P.; Perrault, G.
Structure cristalline de l'ekanite de St-Hilaire, P.Q.
Acta Crystallographica, Section B, 1972, 28, 1994-1999
9015320 CIFC Ca0.997 O3 Sr0.003P m c n4.9615; 7.9629; 5.7428
90; 90; 90		226.886Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment
American Mineralogist, 2012, 97, 707-712
9015321 CIFFeF m -3 m3.485; 3.485; 3.485
90; 90; 90		42.326Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 24.19 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015324 CIFC Fe O3R -3 c :H4.664; 4.664; 15.168
90; 90; 120		285.743Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P2, P = 3.48 GPa
Physical Review B, 2010, 82, 064110-064118
9015325 CIFAl0.76 Cr0.24 Nb O4C 1 2/m 112.1881; 3.7726; 6.5033
90; 107.7; 90		284.872Ardit, M.; Dondi, M.; Cruciani, G.
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25
American Mineralogist, 2012, 97, 910-917
9015326 CIFAl7 Ca6.66 Cl1.11 O16I -4 3 d11.98; 11.98; 11.98
90; 90; 90		1719.37Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L.
Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
American Mineralogist, 2011, 96, 1199-1206
9015327 CIFAs Cu2 H7 O8P 21 21 2110.506; 10.506; 6.103
90; 90; 90		673.625Eby, R. K.; Hawthorne, F. C.
Euchroite, a heteropolyhedral framework structure
Acta Crystallographica, Section C, 1989, 45, 1479-1482
9015328 CIFS TiR -3 m :H3.417; 3.417; 26.455
90; 90; 120		267.503Hahn, H.; Harder, B.
Zur Kristallstruktur der Titansulfide
Zeitschrift fur Anorganische und Allgemeine Chemie, 1956, 288, 241-256
9015329 CIFC0.55 Na4 O7.45 S1.45P m n m :25.177; 9.224; 7.066
90; 90; 90		337.42Giuseppetti, G.; Mazzi, F.; Tadini, C.
The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221
9015332 CIFHg I2P 42/n m c :24.358; 4.358; 12.3
90; 90; 90		233.604Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data
Acta Crystallographica, Section B, 2007, 63, 828-835
9015333 CIFF H Mg OP n m a10.1299; 3.0723; 4.676
90; 90; 90		145.527Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.
Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures
Mineralogical Magazine, 2012, 76, 25-36
9015334 CIFCr6 Fe18 Mo5I -4 3 m8.92; 8.92; 8.92
90; 90; 90		709.732Kasper, J. S.
The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system
Acta Metallurgica, 1954, 2, 456-461
9015335 CIFFe0.46 Mg0.04 Mn0.16 S Zn0.32P 63 m c3.8357; 3.8357; 6.3002
90; 90; 120		80.274Ma, C.; Beckett, J. R.; Rossman, G. R.
Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite
American Mineralogist, 2012, 97, 1226-1233
9015337 CIFFe2.97 Mn0.024 Ni0.027 SiF m -3 m5.67; 5.67; 5.67
90; 90; 90		182.284Yu, Z.
Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan
Acta Petrologica Mineralogica et Analytica, 1984, 3, 231-238
9015338 CIFBa Cu O10 Si4P 4/n c c :27.43602; 7.43602; 16.1302
90; 90; 90		891.91Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000
European Journal of Mineralogy, 2010, 22, 411-423
9015340 CIFCr H O2P 21 n m4.8623; 4.2972; 2.9567
90; 90; 90		61.778Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9
European Journal of Mineralogy, 2012, 24, 839-850
9015341 CIFMg1.92 O4 SiF d -3 m :28.103; 8.103; 8.103
90; 90; 90		532.032Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 537 K
American Mineralogist, 2012, 97, 573-582
9015343 CIFCa2 Fe2 H O15 Si5P 112.18; 6.68; 7.5
93.98; 112.32; 86.05		562.539Kosoi, A. L.
Structure of babingtonite
Kristallografiya, 1975, 20, 730-739
9015344 CIFFe O4 Sb2P 42/m b c8.5758; 8.5758; 5.8983
90; 90; 90		433.787Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M.
Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa
Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037
9015346 CIFNi Ti0.885P -37.3715; 7.3715; 5.302
90; 90; 120		249.507Sitepu, H.
Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
Powder Diffraction, 2007, 22, 209-218
9015347 CIFAl7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006R 3 m :H15.8399; 15.8399; 7.103
90; 90; 120		1543.4Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015349 CIFPb4.819 S11 Sb4.161P b n m21.285; 23.525; 4.019
90; 90; 90		2012.43Bente, K.; Meier-Salimi M
Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites - a contribution to the rayite problem
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1991, 163, 212-216
9015351 CIFAl12 H46.48 K7.447 O95.24 Si24 Tl3.813P 6/m m m18.5432; 18.5432; 7.531
90; 90; 120		2242.6Artioli, G.; Kvick, A.
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation
European Journal of Mineralogy, 1990, 2, 749-759
9015352 CIFAl1.609 Fe0.391 Mg O4F d -3 m :28.1466; 8.1466; 8.1466
90; 90; 90		540.666Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min
European Journal of Mineralogy, 2012, 24, 633-643
9015353 CIFAl9 Ca Fe H Mg O17P 1 c 15.6973; 17.1823; 23.5718
90; 90; 90		2307.51Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A.
Crystal structure of complex natural aluminum magnesium calcium iron oxide
Crystallography Reports, 2010, 55, 563-568
9015355 CIFO2 TiP 1 21/c 14.589; 4.849; 4.736
90; 98.6; 90		104.201Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P.
Size effects on the structure and phase transition behavior of baddeleyite TiO2
Solid State Communications, 2005, 134, 541-546
9015358 CIFFe S4 Sb2P n a m10.9404; 13.3719; 3.6973
90; 90; 90		540.893Periotto, B.; Balic-Zunic T; Nestola, F.
The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania
The Canadian Mineralogist, 2012, 50, 201-218
9015359 CIFAg2.33 Bi3.67 Pb0.25 S8 Sb0.75C 1 2/m 113.515; 4.098; 26
90; 93; 90		1438.02Ilinca, G.; Makovicky, E.
Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (4,8L)
Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353
9015362 CIFBi27 Pb25 S62.39 Se3.61P 1 21/m 138.86; 4.09; 39.83
90; 102.3; 90		6185.16Topa, D.; Makovicky, E.; Dittrich, H.
The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy
The Canadian Mineralogist, 2010, 48, 483-495
9015363 CIFMg1.9 O4 SiF d -3 m :28.0931; 8.0931; 8.0931
90; 90; 90		530.084Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 443 K
American Mineralogist, 2012, 97, 573-582
9015364 CIFCa3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884P 1 21 110.80498; 10.25458; 7.28606
90; 109.117; 90		762.779Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.
Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
The Canadian Mineralogist, 2012, 50, 593-609
9015365 CIFFe Ge2 Li O6P 1 21/c 19.765; 8.721; 5.301
90; 108.49; 90		428.133Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.16 GPa
American Mineralogist, 2009, 94, 616-621
9015366 CIFAl1.609 Fe0.389 Mg O4F d -3 m :28.1472; 8.1472; 8.1472
90; 90; 90		540.786Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min
European Journal of Mineralogy, 2012, 24, 633-643
9015367 CIFAs H3 O6 Zn2P 1 21/c 112.76; 7.93; 10.21
90; 104.4; 90		1000.66Pushcharovskii, D. Y.; Pobedimskaya, E. A.; Belov, N. V.
The crystal structure of legrandite Zn2[AsO4]OH*H2O
Soviet Physics - Doklady, 1971, 16, 419-421
9015368 CIFAl0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2P -4 21 m7.76; 7.76; 5.029
90; 90; 90		302.834Mokeeva, V.; Makarov, E.
Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite
Geokhimiya, 1979, 10, 1541-1544
9015369 CIFAl2 Co0.25 O4 Zn0.75F d -3 m :28.09014; 8.09014; 8.09014
90; 90; 90		529.503Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu
American Mineralogist, 2012, 97, 1394-1401
9015371 CIFC Na1.947 O3C 1 2/m 18.8818; 5.235; 6.0455
90; 101.464; 90		275.485Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I.
The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K
American Mineralogist, 2010, 95, 574-581
9015375 CIFCl HF m -3 m5.475; 5.475; 5.475
90; 90; 90		164.117Sandor, E.; Farrow, R. F. C.
Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K
Nature, 1967, 213, 171-172
9015379 CIFH0.88 K0.78 N0.22 O4 PI -4 2 d7.4398; 7.4398; 7.0454
90; 90; 90		389.967Ono, Y.; Yamada, N.; Hikita, T.
Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K
Journal of the Physical Society of Japan, 1991, 60, 2673-2677
9015383 CIFB Ca H O3P 1 21/m 16.6798; 5.4208; 3.5466
90; 93.245; 90		128.216Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K
The Canadian Mineralogist, 2011, 49, 823-834
9015384 CIFAl3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5C c c m17.0046; 9.73133; 9.31989
90; 90; 90		1542.23Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A.
Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
European Journal of Mineralogy, 2010, 22, 565-575
9015385 CIFCa1.78 Fe1.72 H2 K0.08 Mg3.5 Na1.06 O24 Si8C 1 2/m 19.691; 17.831; 5.247
90; 105.92; 90		871.908Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 3.74 GPa
American Mineralogist, 2010, 95, 1042-1051
9015388 CIFCu2.64 Mo0.04 O8 V1.94 Zn0.36P 1 21/c 16.2695; 8.0195; 6.362
90; 111.96; 90		296.662Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N.
Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia
European Journal of Mineralogy, 2011, 23, 475-481
9015390 CIFC Ca O3R -3 c :H4.99029; 4.99029; 17.0687
90; 90; 120		368.114Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model
Powder Diffraction, 2009, 24, 315-326
9015391 CIFBa Cl0.23 Fe3 H0.77 O8.77 Si2C 1 2/m 120.3459; 7.0119; 5.3879
90; 94.874; 90		765.877Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E.
Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A.
The Canadian Mineralogist, 2011, 49, 587-594
9015392 CIFO2 SiP 1 21/c 17.894; 4.456; 8.582
90; 119.7; 90		262.22Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9015393 CIFAl2 Mg3 O12 Si3I a -3 d11.469; 11.469; 11.469
90; 90; 90		1508.61Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 423.3 K
American Mineralogist, 2011, 96, 1593-1605
9015396 CIFFe2 Mn3 O12 Si3I a -3 d11.8288; 11.8288; 11.8288
90; 90; 90		1655.09Ottonello, G.; Borketa, M.; Sciuto, P. F.
Parameterization of energy and interactions in garnets: End-member properties
American Mineralogist, 1996, 81, 429-447
9015398 CIFBi2 Pb3 S6B b m m13.54; 20.637; 4.1103
90; 90; 90		1148.52Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 0.0001 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9015401 CIFMo O3P b n m3.9624; 13.86; 3.6971
90; 90; 90		203.041Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model
Powder Diffraction, 2009, 24, 315-326
9015402 CIFBa9 O112 Ti36.4 V19.6P 4/m10.126; 10.126; 41.41
90; 90; 90		4246.01Shi, N.; Ma, Z.; Liu, W.
Crystal structure determination of ankangite with one dimensional incommensurate modulation
Acta Petrologica et Mineralogica, 1991, 10, 233-245
9015403 CIFAs SP 1 21/n 18.876; 12.887; 6.272
90; 106.85; 90		686.622Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9015404 CIFCa O3 SnP b n m5.532; 5.681; 7.906
90; 90; 90		248.464Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A.
The ASnO3 (A = Ca, Sr) perovskites
Acta Crystallographica, Section B, 1986, 42, 167-172
9015406 CIFFeF m -3 m3.545; 3.545; 3.545
90; 90; 90		44.55Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015407 CIFFe1.001 Nb0.13 O6 Ta1.871P 42/m n m4.7531; 4.7531; 9.2219
90; 90; 90		208.341Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min
Mineralogical Magazine, 2006, 70, 319-328
9015409 CIFAl8 H1.12 Na7.69 O48.56 Si16R 3 :H18.468; 18.468; 11.601
90; 90; 120		3426.62Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.
The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa
Mineralogical Magazine, 2012, 76, 129-142
9015410 CIFAg1.05 Bi7.64 Cu0.56 S11C 1 2/m 113.38; 4.0492; 18.69
90; 105.494; 90		975.793Makovicky, E.; Paar, W. H.; Putz, H.; Zagler, G.
Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria
The Canadian Mineralogist, 2010, 48, 467-481
9015411 CIFAl2 Ca0.889 H4 O10 Si2 Sr0.111C m c m5.8439; 8.8112; 13.1618
90; 90; 90		677.724Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU63
American Mineralogist, 2010, 95, 724-735
9015412 CIFH8 O13 P2 Zn3P b n m5.0266; 10.606; 18.2946
90; 90; 90		975.324Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite
Chemistry - A European Journal, 2004, 10, 2795-2803
9015413 CIFFe1.74 H12 K2.92 Mg0.14 Mn1.36 Na2.44 O28 Si8 Ti0.76P -110.1978; 12.0155; 5.2263
103.439; 96.02; 91.683		618.46Khomyakov, A. P.; Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C.
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
The Canadian Mineralogist, 2010, 48, 279-290
9015414 CIFHg I2P 42/n m c :24.3675; 4.3675; 12.47
90; 90; 90		237.866Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data
Acta Crystallographica, Section B, 2007, 63, 828-835
9015415 CIFAl6.393 B3.102 Fe2.106 H3.65 Li0.09 Mg0.171 Mn0.081 Na0.49 O31 Si5.898 Zn0.159R 3 m :H15.972; 15.972; 7.16
90; 90; 120		1581.84Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl CROSS
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015417 CIFAl0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02C 1 2/m 15.227; 9.053; 10.153
90; 100.53; 90		472.349Zhukhlistov, A. P.
Crystal structure of celadonite from the electron diffraction data
Crystallography Reports, 2005, 50, 902-906
9015419 CIFCa0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044P 63/m6.0861; 6.0861; 3.681
90; 90; 120		118.08Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D.
The single-crystal X-ray structure of gagarinite-(Ce)
The Canadian Mineralogist, 2011, 49, 1111-1114
9015420 CIFAl2.99 Ca2.03 F1.26 Fe0.51 H0.74 K0.691 Mg3.64 Mn0.01 Na0.281 O22.74 Si5.8 Ti0.05C 1 2/m 19.9104; 17.9739; 5.3205
90; 105.534; 90		913.114Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Pagano, R.; Pagano, A.
Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry
Mineralogical Magazine, 2010, 74, 961-967
9015421 CIFCa3 O5 SiP -111.67; 14.24; 13.72
105.3; 94.2; 90		2192.84Golovastikov, N.; Matveeva, R.; Belov, N.
Crystal structure of tricalcium silicate, 3CaO*SiO2 = C3S
Kristallografiya, 1975, 20, 721-729
9015423 CIFAl7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003R 3 m :H15.8343; 15.8343; 7.1012
90; 90; 120		1541.91Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015424 CIFAl Ca2 F9 PbP -15.3815; 5.3846; 12.2034
91.364; 101.11; 91.525		346.72Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W.
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite
American Mineralogist, 2011, 96, 402-407
9015425 CIFC Ca0.997 O3 Sr0.003P m c n4.9596; 7.9644; 5.7416
90; 90; 90		226.795Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K
American Mineralogist, 2012, 97, 707-712
9015426 CIFCa0.99 F Fe0.31 Mn0.33 Na1.25 Nb0.09 O8 Si2 Ti0.26 Zr0.73P 1 21/a 110.54; 9.9; 7.14
90; 108.2; 90		707.758Simonov, V. I.; Belov, N. V.
Crystal structure of lavenite
Doklady Akademii Nauk SSSR, 1960, 130, 1333-1336
9015427 CIFAl0.84 Ca2.88 Fe1.32 La0.09 Mg0.1 Mn0.03 Nb0.44 O12 Si0.75 Ti0.09 Zr1.46I a -3 d12.5512; 12.5512; 12.5512
90; 90; 90		1977.22Zaitsev, A. N.; Williams, C. T.; Britvin, S. N.; Kuznetsova, I. V.; Spratt, J.; Petrov, S. V.; Keller, J.
Kerimasite, Ca3Zr2(Fe3+2Si)O12, a new garnet from carbonatites of Kerimasi volcano and surrounding explosion craters, northern Tanzania
Mineralogical Magazine, 2010, 74, 803-820
9015429 CIFAl1.463 Fe0.537 Mg O4F d -3 m :28.1697; 8.1697; 8.1697
90; 90; 90		545.278Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated
European Journal of Mineralogy, 2012, 24, 633-643
9015431 CIFB F0.87 H2.13 Mg3 O5.13P 63/m9.06; 9.06; 3.06
90; 90; 120		217.525Takeuchi, Y.
The structure of fluoborite
Acta Crystallographica, 1950, 3, 208-210
9015432 CIFAs O3 SbP 1 21/n 14.5757; 13.1288; 5.4216
90; 95.039; 90		324.435Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.
Crystal structure and bonding in the new mineral AsSbO3
General Meeting of the International Mineralogical Association, 2006, 19, 142-142
9015434 CIFMg0.125 O1.872 Zr0.875F m -3 m5.0858; 5.0858; 5.0858
90; 90; 90		131.546Howard, C. J.; Hill, R. J.; Reichert, B. E.
Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100]
Acta Crystallographica, Section B, 1988, 44, 116-120
9015435 CIFC2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01P 18.983; 8.985; 6.78
116.25; 102.76; 60		425.041Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P.
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O
Moscow University Geology Bulletin, 1992, 47, 60-70
9015437 CIFAl8.435 Fe0.83 H O15 Sn Zn0.36P -3 m 15.717; 5.717; 13.8
90; 90; 120		390.612Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N.
Crystal structure of nigerite-6H
Kristallografiya, 1995, 40, 639-644
9015438 CIFAg0.014 Bi4 Cu0.132 Pb3.904 S10P n m a23.87; 4.0647; 19.13
90; 90; 90		1856.08Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 1
The Canadian Mineralogist, 2010, 48, 1081-1107
9015441 CIFN O6 P VP b c a6.8064; 9.2567; 17.732
90; 90; 90		1117.2Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080
European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607
9015442 CIFCr2 O3R -3 c :H4.674; 4.674; 12.941
90; 90; 120		244.836Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 55.1 GPa
American Mineralogist, 2012, 97, 1764-1770
9015443 CIFAl0.474 Ca3 Fe1.746 Hf0.016 Nb0.038 O12 Sc0.018 Si0.51 Sn0.192 Ti0.426 U0.212 Zr1.356I a -3 d12.5965; 12.5965; 12.5965
90; 90; 90		1998.71Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Kusz, J.; Dzierzanowski, P.; Gazeev, V. M.; Pertsev, N. N.; Prusik, K.; Zadov, A. E.; Winiarski, A.; Wrzalik, R.; Gurbanov, A. G.
Elbrusite-(Zr) - A new uranian garnet from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
American Mineralogist, 2010, 95, 1172-1181
9015445 CIFFeF m -3 m3.557; 3.557; 3.557
90; 90; 90		45.004Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 11.66 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015447 CIFLi PP 1 21/c 15.582; 4.94; 10.255
90; 118.15; 90		249.334Honle, W.; Schnering, H. G.
Zur Struktur von LiP und KSb
Zeitschrift fur Kristallographie, 1981, 155, 307-314
9015448 CIFC Ca O3P m c n4.9635; 8.0024; 5.776
90; 90; 90		229.422Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 197 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015449 CIFAl1.61 Fe0.39 Mg1.002 O4F d -3 m :28.1479; 8.1479; 8.1479
90; 90; 90		540.925Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min
European Journal of Mineralogy, 2012, 24, 633-643
9015450 CIFAs0.54 H8 Mn6.72 O16 V1.46P 1 21/n 15.5038; 12.2665; 10.1055
90; 95.559; 90		679.038Brugger, J.; Elliott, P.; Meisser, N.; Ansermet, S.
Argandite, Mn7(VO4)2(OH)8, the V analogue of allactite from the metamorphosed Mn ores at Pipji, Turtmann Valley, Switzerland
American Mineralogist, 2011, 96, 1894-1900
9015452 CIFAl0.02 Ba3.92 Ca0.1 Fe0.18 Mg0.14 Mn0.38 Na2.16 Nb0.02 O26 P0.82 S1.02 Si4 Sr0.08 Ti2.96P -15.4234; 7.131; 14.785
98.442; 94.579; 90.009		563.757Sokolova, E.; Camara, F.; Hawthorne, F. C.
From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-1T
Mineralogical Magazine, 2011, 75, 2495-2518
9015453 CIFCa2.92 Ce0.54 F2.76 Gd0.04 La0.24 Na2.9 Nb0.75 Nd0.18 O15.24 Pr0.06 Si4 Sm0.04 Sr0.04 Ta0.01 Ti0.24 Y0.04P 1 21/c 17.468; 5.689; 18.891
90; 101.37; 90		786.841Sokolova, E.; Hawthorne, F. C.
From structure topology to chemical composition. V. Titanium silicates: The crystal chemistry of nacareniobsite-(Ce)
The Canadian Mineralogist, 2008, 46, 1333-1342
9015454 CIFAl2 Mg3 O12 Si3I a -3 d11.496; 11.496; 11.496
90; 90; 90		1519.29Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 672.9 K
American Mineralogist, 2011, 96, 1593-1605
9015455 CIFCa0.105 Fe0.075 H4 K0.025 Mg0.035 Mn0.165 Na1.645 Nb0.255 O11 Si2 Ti1.605 Zr0.005P -15.3875; 7.0579; 12.176
93.511; 107.943; 90.093		439.538Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y.
From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals
Mineralogical Magazine, 2008, 72, 1207-1228
9015456 CIFAl8.217 B3.402 Ca0.023 Cl0.001 F0.161 Fe0.042 H3.832 Li0.63 Mn0.087 Na0.541 O30.838 Si5.454R 3 m :H15.792; 15.792; 7.0878
90; 90; 120		1530.79Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A.
Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003
European Journal of Mineralogy, 2002, 14, 935-942
9015460 CIFC Ca O3R -3 c :H4.9742; 4.9742; 17.4676
90; 90; 120		374.292Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 702 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015461 CIFAs8 Ca4.362 F14 Fe2.032 Li1.42 Mg10.968 Na1.218 O24R -3 m :H10.2114; 10.2114; 25.689
90; 90; 120		2319.79Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E.
Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration
European Journal of Mineralogy, 2011, 23, 63-71
9015462 CIFHo O6 Ta TiP b c n14.6236; 5.5637; 5.203
90; 90; 90		423.323Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9015465 CIFAs SP 1 21/n 19.003; 12.919; 6.318
90; 106.87; 90		703.221Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.14 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9015466 CIFAl Ca1.168 F2 Fe12.26 K0.908 Mg2.52 Na3.152 O48 P11.916C 1 2/c 116.506; 10.036; 24.723
90; 105.67; 90		3943.25Steele, I. M.
Arrojadite: variations in space group and composition based on four new refinements Sample: arronpc
General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9015468 CIFC0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3P 6312.695; 12.695; 5.325
90; 90; 120		743.217Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y.
Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy
European Journal of Mineralogy, 2010, 22, 113-119
9015469 CIFAl Na O6 Si2I 1 2/a 113.7249; 13.527; 13.6938
90; 90.18; 90		2542.33Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.
The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa
Mineralogical Magazine, 2012, 76, 129-142
9015470 CIFAl1.61 Fe0.39 Mg O4F d -3 m :28.1469; 8.1469; 8.1469
90; 90; 90		540.726Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min
European Journal of Mineralogy, 2012, 24, 633-643
9015471 CIFH28 K Mg2 Na O22 P2P m n b6.9349; 25.1737; 11.2195
90; 90; 90		1958.67Yang, H.; Sun, H. J.; Downs, R. T.
Hazenite, KNaMg2(PO4)2*14H2O, a new biologically related phosphate mineral, from Mono Lake, California, U.S.A.
American Mineralogist, 2011, 96, 675-681
9015472 CIFH12 O21.5 Pb5 S0.5 Te3C 2 2 219.6581; 19.5833; 10.5027
90; 90; 90		1986.45Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite
American Mineralogist, 2012, 97, 212-219
9015475 CIFFe3 SiF m -3 m5.662; 5.662; 5.662
90; 90; 90		181.514Buschow, K. H. J.; van Engen, P. G.; Jongebreur, R.
Magneto-optical properties of metallic ferromagnetic materials
Journal of Magnetism and Magnetic Materials, 1983, 38, 1-22
9015476 CIFAl2 Ca H4 O10 Si2P 1 21/m 15.197; 12.863; 5.681
90; 124.48; 90		313.053Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa
Mineralogical Magazine, 2001, 65, 41-58
9015477 CIFCu2 H2 O7 Pb TeP 21 21 215.1943; 9.6198; 11.6746
90; 90; 90		583.358Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
American Mineralogist, 2010, 95, 1560-1568
9015480 CIFAl2 Mg3 O12 Si3I a -3 d11.5244; 11.5244; 11.5244
90; 90; 90		1530.58Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 922.9 K
American Mineralogist, 2011, 96, 1593-1605
9015481 CIFC Ca O3R -3 c :H4.9766; 4.9766; 17.284
90; 90; 120		370.715Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 458 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015482 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7499; 4.7499; 9.2716
90; 90; 90		209.182Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q1, treated at 700 C for 30 min
Mineralogical Magazine, 2006, 70, 319-328
9015485 CIFBi13.604 Cu0.842 Fe0.45 Pb7.25 S28P m c n4.0307; 22.7011; 54.6145
90; 90; 90		4997.3Topa, D.; Makovicky, E.
Eclarite: New data and interpretations
The Canadian Mineralogist, 2012, 50, 371-386
9015486 CIFAl0.151 Fe0.174 H4 Mg2.745 O9 Si1.924P 3 1 m5.323; 5.323; 7.27
90; 90; 120		178.393Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.
The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T
The Canadian Mineralogist, 2011, 49, 1045-1054
9015490 CIFAl12 H44.92 K8 O94.46 Si24 Tl3.78P 6/m m m18.5432; 18.5432; 7.531
90; 90; 120		2242.6Artioli, G.; Kvick, A.
Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation
European Journal of Mineralogy, 1990, 2, 749-759
9015491 CIFAl1.686 Ca2 Cr0.824 H4 Mg0.49 O14 Si3A 1 2/m 18.807; 5.943; 19.18
90; 97.44; 90		995.43Nagashima, M.; Akasaka, M.; Ikeda, K.; Kyono, A.; Makino, K.
X-ray single-crystal and optical spectroscopic study of chromian pumpellyite from Sarany, Urals, Russia
Journal of Mineralogical and Petrological Sciences, 2010, 105, 187-193
9015493 CIFF0.45 Fe1.212 O4.55 PI 41/a m d :25.184; 5.184; 13.04
90; 90; 90		350.435Loiseau, T.; Lacorre, P.; Calage, Y.; Greneche, J.; Ferey, G.
Crystal structure and magnetic study of a new iron(III) phosphate, Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O _cod_database_code 1000351
Journal of Solid State Chemistry, 1993, 105, 417-427
9015494 CIFCu3 H6 O11 V2C 1 2/m 110.6; 5.86; 7.21
90; 95.08; 90		446.097Kashaev, A. A.; Bakakin, V. V.
Crystal structure of volborthite Cu3(OH)2V2O7*2H2O
Doklady Akademii Nauk SSSR, 1968, 181, 967-969
9015496 CIFBa6 Cl6.391 Mn2.01 O18 Si6 Ti0.99P 6/m m m16.3; 16.3; 7.169
90; 90; 120		1649.55Basciano, L. C.
Mineralogy and crystal structures of barium silicate minerals from Fresno County, California
Master's Thesis, University of British Columbia, 1999, 1999, 1-164
9015497 CIFAg9 As6 Hg0.5 S12.14 Te1.86P -17.832; 8.606; 10.755
95.563; 95.88; 116.79		635.282Guastoni, A.; Bindi, L.; Nestola, F.
Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure
Mineralogical Magazine, 2012, 76, 743-750
9015499 CIFCa0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96C 1 2 114.018; 14.133; 7.84
90; 109.4; 90		1465.04Kabalov, Y. K.; Zubkova, N. V.; Pushcharovsky, D. Y.; Schneider, J.; Sapozhnikov, A. N.
Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O
Zeitschrift fur Kristallographie, 2000, 215, 757-761
9015501 CIFAs2 Cu0.4 H8 O12 Zn2.6P -15.9756; 7.6002; 5.4471
84.2892; 90.492; 87.9958		245.988Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T.
Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
Mineralogical Magazine, 2012, 76, 45-57
9015502 CIFBa O9 Si3 TiP 3 1 c11.2984; 11.2984; 9.6051
90; 90; 120		1061.86Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa
American Mineralogist, 2012, 97, 1749-1763
9015503 CIFFe2 O3R -3 c :H5.002; 5.002; 13.6202
90; 90; 120		295.122Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 52.4 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9015505 CIFBa F10 O2 Zr2P n a m7.8974; 7.9076; 14.7227
90; 90; 90		919.425Gao, Y.; Guery, J.; Le Bail, A.; Jacoboni, C.
Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108
Journal of Solid State Chemistry, 1992, 98, 11-24
9015506 CIFLa0.3 Nb2 O6 Sr0.7P n m a11.046; 7.653; 5.571
90; 90; 90		470.945Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Materials Research Bulletin, 1994, 29, 743-749
9015507 CIFCa1.848 Fe2.041 H2 K0.684 Mg3.199 Na0.11 O24 Si8C 1 2/m 19.866; 18.054; 5.318
90; 105.22; 90		914.021Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 0.0001 GPa
American Mineralogist, 2010, 95, 1042-1051
9015508 CIFAs2.196 Hg0.804 Pd6P -6 2 m6.813; 6.813; 3.4892
90; 90; 120		140.26Bindi, L.
Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil: Crystal structure and revision of the chemical formula
The Canadian Mineralogist, 2010, 48, 1149-1155
9015509 CIFB9.002 Ba4.98 Ca9.01 Ce2.51 Dy0.28 F2 Fe0.42 Gd0.27 H44.1 La1.12 Nb5.28 Nd0.84 O122.69 P3.12 Pr0.27 Si4.66 Sm3.18 Sr0.96 Ti11.92 Y3.5R 3 :H9.1202; 9.1202; 102.145
90; 90; 120		7357.94Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.
Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: the crystal structure and crystal chemistry of the only known mineral with the oxyanions (BO3), (SiO4) and (PO4)
Mineralogical Magazine, 2010, 74, 285-308
9015510 CIFC Ca O3P m c n4.9605; 7.9925; 5.7629
90; 90; 90		228.481Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 135 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015511 CIFAl1.882 Be2.856 Cu0.144 Fe0.118 H0.98 Li0.12 O18.49 Si6P 6/m c c9.2489; 9.2489; 9.2211
90; 90; 120		683.115Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A.
Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-2
Mineralogical Magazine, 2008, 72, 799-808
9015513 CIFCo Sb3I m -39.0347; 9.0347; 9.0347
90; 90; 90		737.465Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9015514 CIFAl2 Co0.34 Mg0.66 O4F d -3 m :28.0902; 8.0902; 8.0902
90; 90; 90		529.514Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl20
American Mineralogist, 2012, 97, 1834-1840
9015515 CIFAl H O12 Pb2 Si4I 1 2/m 17.8356; 13.9132; 10.2775
90; 92.925; 90		1118.98Yang, H.; Downs, R. T.; Evans, S. H.; Jenkins, R. A.; Bloch, E. M.
Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A.
American Mineralogist, 2013, 98, 236-241
9015519 CIFFe Si2P 4/m m m2.725; 2.725; 5.202
90; 90; 90		38.628Li, G.; Shi, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q.
X-ray diffraction investigation of native Si-Fe alloy minerals from Luobusha, Tibet
Frontiers of Earth Science in China, 2007, 1, 21-25
9015520 CIFCa17 N34 O122.96P 63/m13.226; 13.226; 32.37
90; 90; 120		4903.77Leclaire, A.
Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235
Acta Crystallographica, Section B, 1976, 32, 1950-1953
9015524 CIFO4 Pb SP b n m6.95802; 8.48024; 5.39754
90; 90; 90		318.486Antao, S. M.
Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups
American Mineralogist, 2012, 97, 661-665
9015525 CIFAl2 Ca0.64 H4 O10 Si2 Sr0.36P 1 21/m 15.3427; 13.2039; 5.8448
90; 124.1; 90		341.424Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU86
American Mineralogist, 2010, 95, 724-735
9015528 CIFAs0.1 Cu0.9P 63/m m c2.59; 2.59; 4.24
90; 90; 120		24.632Schubert, K.; Breimer, H.; Burkhardt, W.; Gunzel, E.; Haufler, R.; Lukas, H. L.; Vetter, H.; Wegst, J.; Wilkens, M.
Einige strukturelle Ergebnisse an metallischen Phasen II
Naturwissenschaften, 1957, 44, 229-230
9015529 CIFFeF m -3 m3.531; 3.531; 3.531
90; 90; 90		44.024Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K
American Mineralogist, 2012, 97, 1417-1420
9015532 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7551; 4.7551; 9.2818
90; 90; 90		209.871Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q0, untreated
Mineralogical Magazine, 2006, 70, 319-328
9015533 CIFPt Sb2P a -36.44; 6.44; 6.44
90; 90; 90		267.09Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
9015534 CIFC Fe O3R -3 c :H4.694; 4.694; 15.43
90; 90; 120		294.43Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P0, P = 0.02 GPa
Physical Review B, 2010, 82, 064110-064118
9015535 CIFAl7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006R 3 m :H15.8337; 15.8337; 7.1023
90; 90; 120		1542.04Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015536 CIFAl K0.984 O4 SiP 3 1 c5.1531; 5.1531; 8.7523
90; 90; 120		201.275Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K
American Mineralogist, 2010, 95, 1027-1034
9015537 CIFC0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3P 6312.322; 12.322; 4.905
90; 90; 120		644.959Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.
High-pressure study of a natural cancrinite Note: P = 5.00 GPa
American Mineralogist, 2012, 97, 872-882
9015539 CIFAl1.457 Fe0.544 Mg1.001 O4F d -3 m :28.1708; 8.1708; 8.1708
90; 90; 90		545.499Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min
European Journal of Mineralogy, 2012, 24, 633-643
9015541 CIFFe0.925 H0.39 K Mg2.075 O12 Si4C 1 2/m 15.3237; 9.2149; 10.1597
90; 99.97; 90		490.881Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L.
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC7_R4
Physics and Chemistry of Minerals, 2008, 35, 163-174
9015545 CIFH2 O2 ZnP 21 21 214.905; 5.143; 8.473
90; 90; 90		213.743Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal
Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9015549 CIFAs2 S3P -15.7577; 8.7169; 10.2682
78.152; 75.817; 89.861		488.377Kampf, A. R.; Downs, R. T.; Housley, R. M.; Jenkins, R. A.; Hyrsl, J.
Anorpiment, As2S3, the triclinic dimorph of orpiment
Mineralogical Magazine, 2011, 75, 2857-2867
9015550 CIFLa0.741 Nb1.778 O6 Ti0.222C m m m7.80411; 7.82272; 7.9231
90; 90; 90		483.7Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.
Solving Structural Problems of Ceramic Materials
Croatica Chemica Acta, 2004, 77, 435-446
9015551 CIFAl2 Cu0.06 Mg0.94 O4F d -3 m :28.0858; 8.0858; 8.0858
90; 90; 90		528.651Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl15a2
American Mineralogist, 2012, 97, 1821-1827
9015552 CIFBa Co2 O7 Si2C 1 2/c 17.2131; 12.781; 13.762
90; 90.299; 90		1268.71Adams, R. D.; Layland, R.; Payen, C.; Datta, T.
Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2
Inorganic Chemistry, 1996, 35, 3492-3497
9015553 CIFC0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33P 6312.683; 12.683; 5.19
90; 90; 120		723.006Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1
The Canadian Mineralogist, 2012, 49, 1129-1150
9015554 CIFC4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44P 63/m m c5.1182; 5.1182; 23.1785
90; 90; 120		525.836Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M.
Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1
The Canadian Mineralogist, 2012, 50, 1281-1290
9015555 CIFC Fe O3R -3 c :H4.367; 4.367; 12.78
90; 90; 120		211.071Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P19, P = 46.4 GPa
Physical Review B, 2010, 82, 064110-064118
9015556 CIFCu H4 O5 SeP 1 21/n 18.177; 8.611; 6.29
90; 97.27; 90		439.332Lo, K.; Chen, Z.; Ma, Z.
The crystal structure of clinochalcomenite Note: reported coordinates do not produce the reported bond lengths
Kexue Tongbao, 1984, 29, 352-355
9015560 CIFC2.7 Ca0.1 Ce0.94 F1.6 La0.8 Na Nd0.1 O8.1 Pr0.04 Sm0.02P -6 m 25.1109; 5.1109; 8.6713
90; 90; 120		196.16Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G.
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position
Mineralogical Magazine, 2010, 74, 257-268
9015561 CIFC Ca O3P m c n4.9721; 8.0344; 5.8183
90; 90; 90		232.429Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 379 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015563 CIFP2 PtP a -35.6956; 5.6956; 5.6956
90; 90; 90		184.764Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9015565 CIFAg2 Bi4 Pb Se8P 1 21/m 113.203; 4.186; 15.28
90; 109.164; 90		797.692Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J.
Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure
The Canadian Mineralogist, 2011, 49, 639-650
9015566 CIFPt Sb1.347 Sn1.821I m -39.3887; 9.3887; 9.3887
90; 90; 90		827.592Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y.
SnxPt4SnySb12-y: A skutterudite with covalently bonded filler
Inorganic Chemistry, 2008, 47, 9489-9496
9015567 CIFB4 H20 Na2 O17C 1 2/c 111.858; 10.674; 12.197
90; 106.68; 90		1478.84Morimoto, N.
The crystal structure of borax
Mineralogical Journal, 1956, 2, 1-18
9015568 CIFCu OC 1 2/c 14.6797; 3.4768; 5.1193
90; 98.644; 90		82.347Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 30 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015569 CIFO3 V2R -3 c :H4.9521; 4.9521; 14.0024
90; 90; 120		297.38Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9015570 CIFO5 Pb2 TeI 1 2/a 17.5353; 5.7142; 10.8981
90; 91.33; 90		469.126Kampf, A. R.; Housley, R. M.; Mills, S. J.; Marty, J.; Thorne, B.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra
American Mineralogist, 2010, 95, 1329-1336
9015571 CIFAl2 H4 Mg2 O9 SiR 3 :H5.31; 5.31; 42.1
90; 90; 120		1028.02Steadman, R.; Nuttall, P. M.
The crystal structure of amesite Note: polytype 6R
Acta Crystallographica, 1962, 15, 510-511
9015573 CIFLa Nb O6 TiC 1 2/c 111.2041; 8.85114; 5.2718
90; 115.328; 90		472.544Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.
Solving Structural Problems of Ceramic Materials
Croatica Chemica Acta, 2004, 77, 435-446
9015574 CIFBr0.18 Cl4.82 K0.04 Pb2 Tl0.96P 1 21/c 19.0026; 7.9723; 12.5693
90; 90.046; 90		902.116Mitolo, D.; Pinto, D.; Garavelli, A.; Bindi, L.; Vurro, F.
The role of the minor substitutions in the crystal structure of natural challacolloite, KPb2Cl5, and hephaistosite, TiPb2Cl5, from Vulcano (Aeolian Archipelago, Italy)
Mineralogy and Petrology, 2009, 96, 121-128
9015575 CIFCl Cu2 H3 O3P 1 21/n 16.1637; 6.8166; 9.114
90; 99.6515; 90		377.509Zheng, X. G.; Kawae, T.; Kashitani, Y.; Li, C. S.; Tateiwa, N.; Takeda, K.; Yamada, H.; Xu, C. N.; Ren, Y.
Unconventional magnetic transitions in the mineral clinoatacamite
Physical Review B, 2005, 71, 052409-052404
9015577 CIFAl1.461 Fe0.538 Mg1.001 O4F d -3 m :28.1699; 8.1699; 8.1699
90; 90; 90		545.318Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min
European Journal of Mineralogy, 2012, 24, 633-643
9015578 CIFCa0.33 Fe2 H7 Na0.67 O12 P2P -16.317; 7.698; 9.768
105.53; 99.24; 90.09		451.224Mills, S. J.; Birch, W. D.; Kampf, A. R.; Christy, A. G.; Pluth, J. J.; Pring, A.; Raudsepp, M.; Chen, Y. S.
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from Toms quarry, South Australia: Description and structural relationship to melonjosephite
American Mineralogist, 2010, 95, 754-760
9015580 CIFAl0.209 Fe0.105 H4 Mg2.787 O9 Si1.896P 3 1 m5.3234; 5.3234; 7.2721
90; 90; 120		178.471Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A.
The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T
The Canadian Mineralogist, 2011, 49, 1045-1054
9015581 CIFNi0.106 Ti0.942P m -3 m3.0191; 3.0191; 3.0191
90; 90; 90		27.519Sitepu, H.
Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
Powder Diffraction, 2007, 22, 209-218
9015582 CIFAs18 Bi6 Co0.24 Fe14 H176 Mg10.76 O174P 1 21/n 113.6322; 30.469; 18.4671
90; 91.134; 90		7668.98Brugger, J.; Meisser, N.; Krivovichev, S.; Armbruster, T.; Favreau, G.
Mineralogy and crystal structure of bouazzerite from Bou Azzer, Anti-Atlas, Morocco: Bi-As-Fe nanoclusters containing Fe3+ in trigonal prismatic coordination
American Mineralogist, 2007, 92, 1630-1639
9015584 CIFCa O8 Ti Zr2.5I 41/a c d :215.207; 15.207; 10.114
90; 90; 90		2338.89Callegari, A.; Mazzi, F.; Ungaretti, P.
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2
Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480
9015585 CIFAl2 Ca0.979 H4 O10 Si2 Sr0.021C m c m5.8419; 8.794; 13.1393
90; 90; 90		675.014Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU79
American Mineralogist, 2010, 95, 724-735
9015587 CIFAl7.173 B3 Ca0.517 F0.588 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003R 3 m :H15.8548; 15.8548; 7.1099
90; 90; 120		1547.8Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015588 CIFCu5 H14 O18 S2P -16.064; 11.012; 5.49
102.68; 92.43; 92.06		356.956Strandberg, H.; Langer, V.; Johansson, L. G.
Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper
Acta Chemica Scandinavica, 1995, 49, 5-10
9015589 CIFAl2 Co0.48 Mg0.52 O4F d -3 m :28.0914; 8.0914; 8.0914
90; 90; 90		529.75Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl34
American Mineralogist, 2012, 97, 1834-1840
9015591 CIFLi Nb3 O8P 1 21/a 115.262; 5.033; 7.457
90; 107.34; 90		546.767Lundberg, M.
The crystal structure of LiNb3O8 Note: isostructural with lithiotantite
Acta Chemica Scandinavica, 1971, 25, 3337-3346
9015592 CIFAl0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44C m c m14.15; 10.395; 7.529
90; 90; 90		1107.44Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W.
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure
Mineralogical Magazine, 2012, 76, 75-90
9015593 CIFC Ca O3P m c n4.9693; 8.0234; 5.8037
90; 90; 90		231.397Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 318 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015594 CIFAl6.772 Ca6 Cl0.624 Fe0.228 O16.748I -4 3 d12.032; 12.032; 12.032
90; 90; 90		1741.86Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M.
A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany
Mineralogical Magazine, 2012, 76, 707-716
9015595 CIFH10 Mg Na2 O13 S2P 1 21/c 15.7594; 23.914; 8.025
90; 95.288; 90		1100.58Mills, S. J.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.
The decomposition of konyaite: importance in CO2 fixation in mine tailings
Mineralogical Magazine, 2010, 74, 903-917
9015596 CIFCl F Na6 O8 S2F m -3 m10.071; 10.071; 10.071
90; 90; 90		1021.45Sakamoto, Y.
The size, atomic charges, and motion of the sulfate radical of symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2
Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry, 1968, 32, 101-108
9015597 CIFAl4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17P -4 3 m7.3098; 7.3098; 7.3098
90; 90; 90		390.586Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V.
On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 300 K
American Mineralogist, 2010, 95, 1467-1472
9015598 CIFBi H3 Mo2.102 O9P 1 21/n 15.8505; 9.0421; 13.9173
90; 100.42; 90		724.095Orlandi, P.; Demartin, F.; Pasero, M.; Leverett, P.; Williams, P. A.; Hibbs, D. E.
Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, New England, Australia
American Mineralogist, 2011, 96, 268-273
9015599 CIFAl5.47 B3 Ca0.35 F0.44 Fe1.1 H3.21 Li0.039 Mg2.35 Na0.55 O30.56 Si5.98 Ti0.05R 3 m :H15.981; 15.981; 7.21
90; 90; 120		1594.68Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 32008
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9015600 CIFC Ca0.147 O3 Sr0.853P m c n5.0914; 8.3519; 5.9901
90; 90; 90		254.716Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K
American Mineralogist, 2012, 97, 707-712
9015601 CIFCl2 Cu H2 O4 Pb3P 1 21/m 16.6972; 5.7538; 10.4686
90; 97.747; 90		399.719Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.
Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra
Mineralogical Magazine, 2008, 72, 793-798
9015602 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7509; 4.7509; 9.2812
90; 90; 90		209.486Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q4, treated at 600 C for 200 min
Mineralogical Magazine, 2006, 70, 319-328
9015603 CIFAl7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 Pb0.009 Si6 Ti0.006R 3 m :H15.8337; 15.8337; 7.1023
90; 90; 120		1542.04Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015604 CIFC Fe O3R -3 c :H4.523; 4.523; 13.4
90; 90; 120		237.404Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-1, P = 39.05 GPa
Physical Review B, 2010, 82, 064110-064118
9015605 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7533; 4.7533; 9.2876
90; 90; 90		209.843Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated
Mineralogical Magazine, 2006, 70, 319-328
9015606 CIFC Fe O3R -3 c :H4.355; 4.355; 12.59
90; 90; 120		206.791Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P23, P = 51.9 GPa
Physical Review B, 2010, 82, 064110-064118
9015607 CIFLa0.67 Nb2 O6P m m m3.9105; 3.9197; 7.9142
90; 90; 90		121.309Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = 0
Inorganic Materials, 2004, 40, 1324-1330
9015610 CIFMg1.9 O4 Si0.99F d -3 m :28.0816; 8.0816; 8.0816
90; 90; 90		527.828Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 303 K
American Mineralogist, 2012, 97, 573-582
9015611 CIFFe0.183 Li0.91 Mn0.8 O4 PP b n m4.736; 10.432; 6.088
90; 90; 90		300.783Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.
A structural study of the lithiophilite-sicklerite series Sample 1, colorless
The Canadian Mineralogist, 2012, 50, 843-854
9015613 CIFAl96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102P -312.8742; 12.8742; 87.215
90; 90; 120		12518.8Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; Bindi, L.; Gunter, M. E.; Sebastiani, M.
Fantappieite, a new mineral of the cancrinite-sodalite group with a 33-layer stacking sequence: Occurrence and crystal structure
American Mineralogist, 2010, 95, 472-480
9015614 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7497; 4.7497; 9.253
90; 90; 90		208.744Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q2, treated at 750 C for 120 min
Mineralogical Magazine, 2006, 70, 319-328
9015615 CIFBi2 Pb3 S6B b m m13.28; 20.26; 4.0448
90; 90; 90		1088.27Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 2.90 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9015616 CIFBa O3 TiR 3 m :R4.0035; 4.0035; 4.0035
89.843; 89.843; 89.843		64.167Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 40 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9015620 CIFAl2 O4 ZnF d -3 m :28.08514; 8.08514; 8.08514
90; 90; 90		528.521Ardit, M.; Cruciani, G.; Dondi, M.
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu
American Mineralogist, 2012, 97, 1394-1401
9015621 CIFB7 Cl Fe3 O13R 3 c :H8.6231; 8.6231; 21.0503
90; 90; 120		1355.55Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H.
Structure refinement of trigonal iron-chlorine boracite
Acta Crystallographica, Section C, 1985, 41, 1551-1552
9015622 CIFCa5 H18 O32 Si9P -19.69; 7.28; 22.02
92.7; 100.1; 110.9		1418.48Merlino, S.
Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate
American Mineralogist, 1983, 68, 614-622
9015623 CIFAl3 K O12 Si3C 1 2/c 15.189; 8.995; 20.09698
90; 95.18; 90		934.197Gatineau, L.
Localisation des remplacements isomorphiques dans la muscovite Note: polytype Muscovite 2M1 _cod_database_code 1000042
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1963, 256, 4648-4649
9015624 CIFAl2.916 H6.117 K0.876 Na0.071 O14.039 S2R -3 m :H6.9806; 6.9806; 17.425
90; 90; 120		735.341Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.
Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 200 C
Mineralogical Magazine, 2012, 76, 613-623
9015625 CIFBi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461P 1 21/m 115.4172; 4.0582; 20.8071
90; 98.031; 90		1289.05Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V.
The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia
The Canadian Mineralogist, 2012, 50, 387-395
9015626 CIFAl2 Co0.07 Mg0.93 O4F d -3 m :28.0851; 8.0851; 8.0851
90; 90; 90		528.514Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl0.5
American Mineralogist, 2012, 97, 1834-1840
9015629 CIFBe H2 O2P 21 21 214.53; 4.621; 7.048
90; 90; 90		147.537Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal
Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136
9015631 CIFAg1.041 Mn0.919 Pb3 S12 Sb5.041P 1 21/n 119.3462; 12.7251; 8.7472
90; 90.017; 90		2153.41Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T.
Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R070760
American Mineralogist, 2011, 96, 1186-1189
9015634 CIFAl4 F4 H4 K0.65 Li0.672 Mn1.35 O16 Si4C c c a :213.715; 20.302; 5.138
90; 90; 90		1430.64Ghose, S.; Sen Gupta, P. K.; Boggs, R. C.; Schlemper, E. O.
Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes
American Mineralogist, 1989, 74, 1084-1090
9015636 CIFCu Fe S2I -4 2 d5.28563; 5.28563; 10.41917
90; 90; 90		291.09Knight, K. S.; Marshall, W. G.; Zochowski, S. W.
The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K
The Canadian Mineralogist, 2011, 49, 1015-1034
9015638 CIFB2 MnP 6/m m m3.007; 3.007; 3.037
90; 90; 120		23.782Aronsson, B.
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Acta Chemica Scandinavica, 1960, 14, 1414-1418
9015640 CIFFe Mn O4 SiP b n m4.86184; 10.58358; 6.1695
90; 90; 90		317.456Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J.
Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study
Mineralogical Magazine, 1998, 62, 607-615
9015642 CIFAs Cu3 S4P m n 217.4127; 6.4404; 6.1577
90; 90; 90		293.973Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E.
Crystal and absolute structure of enargite from Bor (Serbia)
Neues Jahrbuch fur Mineralogie, Monatshefte, 2002, 2002, 241-253
9015643 CIFMg0.096 O1.904 Zr0.904F m -3 m5.0858; 5.0858; 5.0858
90; 90; 90		131.546Howard, C. J.; Hill, R. J.; Reichert, B. E.
Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced
Acta Crystallographica, Section B, 1988, 44, 116-120
9015646 CIFAl7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027R 3 m :H15.9013; 15.9013; 7.1213
90; 90; 120		1559.39Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5
American Mineralogist, 2004, 89, 447-454
9015647 CIFAl1.46 Fe0.539 Mg1.001 O4F d -3 m :28.1687; 8.1687; 8.1687
90; 90; 90		545.078Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min
European Journal of Mineralogy, 2012, 24, 633-643
9015649 CIFC H Nd O4P n m a7.2333; 4.964; 8.4908
90; 90; 90		304.872Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015650 CIFC Fe O3R -3 c :H4.539; 4.539; 13.8
90; 90; 120		246.224Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P10, P = 30.6 GPa
Physical Review B, 2010, 82, 064110-064118
9015651 CIFCa O3 SnP b n m5.5142; 5.6634; 7.88162
90; 90; 90		246.136Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.0 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015653 CIFCr2 O3R -3 c :H4.8152; 4.8152; 13.242
90; 90; 120		265.897Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 GPa
American Mineralogist, 2012, 97, 1764-1770
9015654 CIFAl3 Ca2 H O13 Si3P n m a16.0271; 5.4473; 9.8119
90; 90; 90		856.622Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 7.766 GPa
American Mineralogist, 2012, 97, 1165-1176
9015655 CIFAl1.9 Be3 Cr0.1 H2 O19 Si6P 6/m c c9.214; 9.214; 9.218
90; 90; 120		677.741Gibbs, G. V.; Breck, D. W.; Meagher, E. P.
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous emerald
Lithos, 1968, 1, 275-285
9015658 CIFMg2 O4 SiP n m a10.20141; 5.98348; 4.75534
90; 90; 90		290.266Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Journal of Applied Crystallography, 1999, 32, 51-59
9015659 CIFAl3 Ca2 H O13 Si3P n m a16.0539; 5.4609; 9.8437
90; 90; 90		862.985Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 6.511 GPa
American Mineralogist, 2012, 97, 1165-1176
9015660 CIFH8 Mo O10 UP 1 21/c 16.32; 7.5; 57.8
90; 94; 90		2733.05Makarov, E. S.; Anikina, L. I.
Crystal structure of umohoite (UMoO6(H2O)2)*2H2O
Geochemistry, 1963, 1, 14-21
9015661 CIFO24 P6 S Sr10P -39.8077; 9.8077; 7.2089
90; 90; 120		600.529Henning, P. A.; Adolfsson, E.; Grins, J.
The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se
Zeitschrift fur Kristallographie, 2000, 215, 226-230
9015662 CIFO2 TiP 42/m n m4.5937; 4.5937; 2.9587
90; 90; 90		62.435Howard, C. J.; Sabine, T. M.; Dickson, F.
Structural and thermal parameters for rutile and anatase
Acta Crystallographica, Section B, 1991, 47, 462-468
9015664 CIFAl1.459 Fe0.537 Mg1.003 O4F d -3 m :28.1707; 8.1707; 8.1707
90; 90; 90		545.479Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min
European Journal of Mineralogy, 2012, 24, 633-643
9015669 CIFCa4.28 Ce0.9 F2.7 Na1.82 Nb0.05 O15.3 Si4 Ti0.86 Zr0.09P 1 21/c 17.421; 5.709; 19.019
90; 101.23; 90		790.34Bellezza, M.; Merlino, S.; Perchiazzi, N.; Raade, G.
<<Johnstrupite>>: a chemical and structural study
Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2009, 114, 1-3
9015670 CIFFe S4 Sb2P n a m11.1063; 13.6291; 3.7249
90; 90; 90		563.834Periotto, B.; Balic-Zunic T; Nestola, F.
The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania
The Canadian Mineralogist, 2012, 50, 201-218
9015672 CIFBi Mo2 O10P 1 21/m 15.7797; 11.567; 6.3344
90; 113.36; 90		388.767Orlandi, P.; Pasero, M.; Bigi, S.
Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure
Mineralogy and Petrology, 2010, 100, 17-22
9015674 CIFBa Na2 O14 Si4 Ti2I m a 210.4; 13.85; 8.1
90; 90; 90		1166.72Nikitin, A. V.; Belov, N. V.
Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12]
Doklady Akademii Nauk SSSR, 1962, 146, 1401-1403
9015676 CIFAs H O5 Zn2P -15.638; 5.827; 6.692
103.25; 104.37; 87.72		207.268Hawthorne, F. C.
Paradamite
Acta Crystallographica, Section B, 1979, 35, 720-722
9015677 CIFCa0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03C 1 2/c 16.5691; 8.6869; 7.0924
90; 114.127; 90		369.372Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C.
Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure
Mineralogical Magazine, 2012, 76, 37-44
9015678 CIFAl7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009R 3 m :H15.8449; 15.8449; 7.1053
90; 90; 120		1544.87Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015679 CIFH47.44 Mg Na4 O51.72 V10P -19.0453; 11.3337; 11.7372
105.223; 97.383; 100.79		1120.3Colombo, F.; Baggio, R.; Kampf, A. R.
The crystal structure of the elusive huemulite
The Canadian Mineralogist, 2011, 49, 849-864
9015680 CIFAl1.9 Be3 Cr0.1 O18 Si6P 6/m c c9.219; 9.219; 9.198
90; 90; 120		677.005Gibbs, G. V.; Breck, D. W.; Meagher, E. P.
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous emerald
Lithos, 1968, 1, 275-285
9015681 CIFNa1.86 Nb2 Nd0.05 O6P b c m5.5018; 5.5598; 15.551
90; 90; 90		475.688Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6
Inorganic Materials, 2004, 40, 1324-1330
9015683 CIFCu0.93 H6 O15 P2 U2P 1 21 114.4979; 7.0159; 6.6312
90; 107.585; 90		642.978Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.
Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 6.9 Angstrom phase while heating at 173 C
American Mineralogist, 2010, 95, 1132-1140
9015685 CIFC Fe O3R -3 c :H4.343; 4.343; 12.497
90; 90; 120		204.134Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P26, P = 55.96 GPa
Physical Review B, 2010, 82, 064110-064118
9015687 CIFFeF m -3 m3.494; 3.494; 3.494
90; 90; 90		42.655Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015689 CIFCa H8 O15 Si4 VP c m n9.7518; 13.6854; 9.5965
90; 90; 90		1280.72Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.
The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K
The Canadian Mineralogist, 2011, 49, 1267-1272
9015690 CIFCa4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09P 63/m9.3687; 9.3687; 6.8739
90; 90; 120		522.507Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J.
A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K
American Mineralogist, 2012, 97, 1574-1581
9015691 CIFC Ca O3R -3 c :H4.9771; 4.9771; 17.3369
90; 90; 120		371.925Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 540 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015692 CIFCr2 O3R -3 c :H4.714; 4.714; 13.029
90; 90; 120		250.738Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa
American Mineralogist, 2012, 97, 1764-1770
9015694 CIFMn O2P 42/m n m4.388; 4.388; 2.865
90; 90; 120		47.774Kondrashev, Y. D.; Zaslavskii, A. I.
The structure of the modifications of manganese oxide
Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186
9015698 CIFAl6.5 Ca5 Mg0.75 O17 Si0.75P m m n :227.638; 10.799; 5.123
90; 90; 90		1529.03Hanic, F.; Handlovic, M.; Kapralik, I.
The structure of a quaternary phase Ca20Al32-2vMgvSivO68
Acta Crystallographica, Section B, 1980, 36, 2863-2869
9015700 CIFCa2 O16 Ti2 Zr5P b c a15.207; 15.207; 10.114
90; 90; 90		2338.89Callegari, A.; Mazzi, F.; Ungaretti, P.
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2
Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 467-480
9015702 CIFCl TlP m -3 m3.901; 3.901; 3.901
90; 90; 90		59.365Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H.
Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy
The Mineralogical Record, 2006, 37, 165-168
9015703 CIFB10 Cl2 H2 O19 Pb4P n n 211.376; 11.505; 6.5568
90; 90; 90		858.16Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G.
Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE
American Mineralogist, 2012, 97, 1206-1212
9015705 CIFAl1.611 Fe0.388 Mg O4F d -3 m :28.1457; 8.1457; 8.1457
90; 90; 90		540.487Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min
European Journal of Mineralogy, 2012, 24, 633-643
9015706 CIFC0.39 Al0.3 Ca3 O25 S1.57 Si0.7P 6311.1178; 11.1178; 10.5381
90; 90; 120		1128.06Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.
The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder
Mineralogical Magazine, 2012, 76, 1133-1152
9015709 CIFAl1.46 Fe0.539 Mg1.001 O4F d -3 m :28.1693; 8.1693; 8.1693
90; 90; 90		545.198Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min
European Journal of Mineralogy, 2012, 24, 633-643
9015710 CIFAl2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3P 1 21/m 18.8904; 5.6606; 10.176
90; 115.455; 90		462.393Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 21
American Mineralogist, 2010, 95, 1237-1246
9015711 CIFAs SP 1 21/n 19.3272; 13.566; 6.5903
90; 106.433; 90		799.826Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9015712 CIFAl7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006R 3 m :H15.8438; 15.8438; 7.1043
90; 90; 120		1544.44Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015713 CIFCl2 FeR -3 m :H3.58; 3.58; 17.54
90; 90; 120		194.682Herpin, A.; Meriel, P.
Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1957, 245, 650-653
9015714 CIFCu OC 1 2/c 14.6791; 3.4805; 5.1183
90; 98.5981; 90		82.418Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 36 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015715 CIFBa O3 TiA m m 24.0094; 5.6214; 5.6386
90; 90; 90		127.085Xiao, C. J.; Jin, C. Q.; Wang, X. H.
Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic)
Materials Chemistry and Physics, 2008, 111, 209-212
9015716 CIFAl1.461 Fe0.538 Mg1.001 O4F d -3 m :28.1685; 8.1685; 8.1685
90; 90; 90		545.038Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min
European Journal of Mineralogy, 2012, 24, 633-643
9015717 CIFC Ca0.997 O3 Sr0.003P m c n4.9541; 7.9494; 5.7186
90; 90; 90		225.211Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K
American Mineralogist, 2012, 97, 707-712
9015720 CIFCa2 Fe2 O5P n m a5.3522; 14.5621; 5.5354
90; 90; 90		431.425Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 5.564 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015721 CIFCu3 H6 O11 V2I 1 a 110.646; 5.867; 14.432
90; 95.19; 90		897.728Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D.
Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O
Journal of Structural Chemistry, 2008, 49, 708-711
9015722 CIFAl Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16C 1 2/c 116.459; 10.018; 24.597
90; 105.78; 90		3902.86Steele, I. M.
Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C
General Meeting of the International Mineralogical Association, 2002, 18, MO2-117
9015723 CIFHg I2P 42/n m c :24.36; 4.36; 12.337
90; 90; 90		234.521Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data
Acta Crystallographica, Section B, 2007, 63, 828-835
9015724 CIFFe0.5 Ni0.5 Sb3I m -39.0904; 9.0904; 9.0904
90; 90; 90		751.189Kjekshus, A.; Rakke, T.
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Acta Chemica Scandinavica A, 1974, 28, 99-103
9015730 CIFAg16 As4 Fe0.526 Hg0.474 S15C 1 2 126.011; 15.048; 15.513
90; 90.4; 90		6071.85Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.
A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124
Mineralogical Magazine, 2012, 76, 551-566
9015731 CIFAl0.55 Ca2 Fe1.45 O5I 2 m b5.303; 14.3778; 5.529
90; 90; 90		421.561Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 6.27 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015732 CIFAl0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5P -17.458; 12.168; 6.675
86.12; 93.86; 112.27		558.71Armbruster, T.
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland
Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284
9015733 CIFNi Ti0.921P 1 1 21/m2.92617; 4.17272; 4.69631
90; 90; 97.4036		56.864Sitepu, H.
Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
Powder Diffraction, 2007, 22, 209-218
9015735 CIFC O6 Pb2 S2P n m a16.32; 8.7616; 4.5809
90; 90; 90		655.02Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.
Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01
Mineralogical Magazine, 2011, 75, 2721-2732
9015736 CIFOs S2P a -35.64; 5.64; 5.64
90; 90; 90		179.406Oftedal, I.
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit
Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9015737 CIFBa0.492 Cu O10 Si4 Sr0.508P 4/n c c :27.38813; 7.38813; 15.8516
90; 90; 90		865.251Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492
European Journal of Mineralogy, 2010, 22, 411-423
9015747 CIFFe2 H2 O17 P4 Pb3P 41 21 29.044; 9.044; 16.766
90; 90; 90		1371.36Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E.
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C
European Journal of Mineralogy, 2010, 22, 595-604
9015750 CIFBa0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9C 1 m 114.491; 13.911; 7.822
90; 117.59; 90		1397.49Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V.
New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed
Doklady Chemistry, 2002, 383, 110-113
9015752 CIFFeF m -3 m3.509; 3.509; 3.509
90; 90; 90		43.207Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015753 CIFAl Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12C 1 2/c 116.526; 10.057; 24.73
90; 105.78; 90		3955.27Merlino, S.; Mellini, M.; Zanazzi, P. F.
Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2
Acta Crystallographica, Section B, 1981, 37, 1733-1736
9015755 CIFCa5 Cl O10.5 Si3C m c m3.7617; 16.9385; 17.3196
90; 90; 90		1103.56Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N.
Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
European Journal of Mineralogy, 2011, 23, 837-844
9015756 CIFAl2 Cu0.78 Mg0.22 O4F d -3 m :28.0841; 8.0841; 8.0841
90; 90; 90		528.318Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b
American Mineralogist, 2012, 97, 1821-1827
9015758 CIFAl7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 Pb0.006 Si6 Ti0.018R 3 m :H15.8333; 15.8333; 7.1025
90; 90; 120		1542Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015759 CIFAl1.61 Fe0.39 Mg O4F d -3 m :28.146; 8.146; 8.146
90; 90; 90		540.547Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min
European Journal of Mineralogy, 2012, 24, 633-643
9015761 CIFC Ca O3R -3 c :H4.9764; 4.9764; 17.3886
90; 90; 120		372.929Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 620 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015762 CIFBa9.5 Ca3.5 Cl4 H12 O36 Si8 TiP 4/m m m14; 14; 5.625
90; 90; 90		1102.5Malinovskii, Y. A.; Pobedimskaya, E. A.; Belov, N. V.
Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8
Soviet Physics Doklady, 1975, 20, 163-164
9015763 CIFAs Ni RhP 4/n m m :23.5498; 3.5498; 6.1573
90; 90; 90		77.589Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F.
Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic
The Canadian Mineralogist, 2012, 50, 1321-1329
9015764 CIFCa O13.014 Si4 VP n m a9.4746; 13.262; 9.605
90; 90; 90		1206.89Danisi, R. M.; Armbruster, T.; Lazic, B.
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C
American Mineralogist, 2012, 97, 1874-1880
9015765 CIFFe5 Si3P 63/m c m6.6193; 6.6193; 4.621
90; 90; 120		175.344Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 18.7 GPa
Solid State Sciences, 2004, 6, 673-678
9015766 CIFAs2 Eu Fe2I 4/m m m3.9062; 3.9062; 12.1247
90; 90; 90		185.004Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D.
Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K
Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5
9015767 CIFCl2 FeP -3 m 13.585; 3.585; 5.735
90; 90; 120		63.833Vettier, C.; Yelon, W. B.
The structure of FeCl2 at high pressures Note: P = 5.97 kbar
Journal of Physics and Chemistry of Solids, 1975, 36, 401-405
9015768 CIFCl2 Cu H6 N2C m c m7.688; 10.645; 5.736
90; 90; 90		469.427Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G.
Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K
The Canadian Mineralogist, 2010, 48, 1359-1371
9015770 CIFAl7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6R 3 m :H15.856; 15.856; 7.1079
90; 90; 120		1547.6Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V.
A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data
Physics and Chemistry of Minerals, 2012, 39, 577-588
9015771 CIFCa O3 SnP b n m5.4824; 5.6384; 7.8387
90; 90; 90		242.31Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 2.61 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015775 CIFAl2 Ca0.77 H4 O10 Si2 Sr0.23P 1 21/m 15.3025; 13.174; 5.8422
90; 123.72; 90		339.448Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83
American Mineralogist, 2010, 95, 724-735
9015777 CIFAl2 Ca O8 Si2P 63/m c m5.1175; 5.1175; 14.7716
90; 90; 120		335.022Dimitrijevic, R.; Dondur, V.; Kremenovic, A.
Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure
Zeolites, 1996, 16, 294-300
9015778 CIFCr2 O3R -3 c :H4.9128; 4.9128; 13.4689
90; 90; 120		281.528Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9015779 CIFAl1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3I a -3 d11.5826; 11.5825; 11.5826
90; 90; 90		1553.87Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.
In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond
European Journal of Mineralogy, 2012, 24, 599-606
9015780 CIFBa Cr2 O11 PP -19.333; 7.779; 7.526
106.28; 105.37; 94.14		499.356Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.
Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O
Acta Crystallographica, Section B, 1977, 33, 1431-1435
9015782 CIFAl1.461 Fe0.537 Mg1.001 O4F d -3 m :28.1705; 8.1705; 8.1705
90; 90; 90		545.439Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min
European Journal of Mineralogy, 2012, 24, 633-643
9015783 CIFCl Fe H12 O10 SP 1 21/c 110.6776; 6.9148; 14.1193
90; 111.407; 90		970.558Jingliang, Z.; Li, J.; Wei, D.
The crystal structure of xitieshanite
Kexue Tongbao, 1988, 33, 502-505
9015784 CIFAl7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039R 3 m :H15.9461; 15.9461; 7.138
90; 90; 120		1571.87Bosi, F.; Skogby, H.; Agrosì G; Scandale, E.
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model
American Mineralogist, 2012, 97, 989-994
9015786 CIFAs2 Ca2 Cu H4 O10P 1 21/c 15.8618; 12.7854; 5.7025
90; 109.425; 90		403.049Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T.
Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile
The Canadian Mineralogist, 2011, 49, 877-884
9015787 CIFCr1.5 Cu S4 Sb0.5F d -3 m :29.993; 9.993; 9.993
90; 90; 90		997.901Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G.
New antiferromagnetic semiconductor CuCr1.5Sb0.5S4
Journal of Magnetism and Magnetic Materials, 1997, 175, 299-303
9015789 CIFF2 PbF m -3 m5.9306; 5.9306; 5.9306
90; 90; 90		208.591Mills, S. J.; Kartashov, P. M.; Gamyanin, G. N.; Whitfield, P. S.; Kern, A.; Guerault, H.; Kampf, A. R.; Raudsepp, M.
Fluorocronite, the natural analogue of beta-PbF2, from the Sakha Republic, Russian Federation
European Journal of Mineralogy, 2011, 23, 695-700
9015790 CIFBe OP 63 m c2.7002; 2.7002; 4.3851
90; 90; 120		27.689Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 543 K
Journal of Applied Physics, 1986, 59, 3728-3733
9015791 CIFO2 SiP 41 21 24.908; 4.908; 6.784
90; 90; 90		163.416Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 0.6 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9015793 CIFH13.64 Mg4 O22.82 Si6P n c n13.395; 27.016; 5.2765
90; 90; 90		1909.46Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G.
Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction
European Journal of Mineralogy, 2011, 23, 449-466
9015794 CIFMn3 SiF m -3 m5.722; 5.722; 5.722
90; 90; 90		187.346Aronsson, B.
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Acta Chemica Scandinavica, 1960, 14, 1414-1418
9015795 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7516; 4.7516; 9.2258
90; 90; 90		208.297Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q1, treated at 750 C for 40 min
Mineralogical Magazine, 2006, 70, 319-328
9015796 CIFAl8.88 B5.22 H Na0.77 O31 Si3.78R 3 m :H15.5996; 15.5996; 7.0224
90; 90; 120		1479.94Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W.
Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1
European Journal of Mineralogy, 2002, 14, 763-771
9015797 CIFAs SC 1 2/c 19.967; 9.355; 8.921
90; 102.52; 90		812.025Zoppi, M.; Pratesi, G.
The dual behavior of the beta-As4S4 altered by light
American Mineralogist, 2012, 97, 890-896
9015798 CIFC0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016P 42/n :212.07899; 12.07899; 7.583467
90; 90; 90		1106.44Antao, S. M.; Hassan, I.
Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs)
The Canadian Mineralogist, 2011, 49, 581-586
9015799 CIFBi4 Cu0.73 Pb3.695 S10P n m a23.816; 4.0408; 19.057
90; 90; 90		1833.96Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 4
The Canadian Mineralogist, 2010, 48, 1081-1107
9015800 CIFAl0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87R 3 m :H16.1121; 16.1121; 7.3701
90; 90; 120		1656.95Bosi, F.; Reznitskii, L.; Skogby, H.
Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
American Mineralogist, 2012, 97, 2024-2030
9015801 CIFCs H5 O12 Se U2P -18.6877; 8.7164; 8.9589
95.964; 99.155; 117.318		582.847Wylie, E. M.; Burns, P. C.
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3
The Canadian Mineralogist, 2012, 50, 147-157
9015802 CIFB7 Cl Mg3 O13F -4 3 c12.1; 12.1; 12.1
90; 90; 90		1771.56Ito, T.; Morimoto, N.; Sadanaga, R.
The crystal structure of boracite Note: high boracite Note: T = 300 C
Acta Crystallographica, 1951, 4, 310-316
9015803 CIFFe Ge2 Li O6C 1 2/c 19.5; 8.711; 5.127
90; 101.55; 90		415.691Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.83 GPa
American Mineralogist, 2009, 94, 616-621
9015805 CIFBe OP 63 m c2.6825; 2.6825; 4.3525
90; 90; 120		27.124Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 4.0 GPa
Journal of Applied Physics, 1986, 59, 3728-3733
9015806 CIFAl11 Fe0.783 H Mg4.217 O24 TiP 63 m c5.7105; 5.7105; 27.676
90; 90; 120		781.596Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M.
Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica
American Mineralogist, 2012, 97, 268-280
9015807 CIFAl2.25 Ca2 Cr0.31 Fe0.03 H2 Mg0.4 Mn0.01 O14 Si3C 1 2/m 119.105; 5.9021; 8.8143
90; 97.513; 90		985.365Hamada, M.; Akasaka, M.; Seto, S.; Makino, K.
Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1028
American Mineralogist, 2010, 95, 1294-1304
9015808 CIFCa H8 O15 Si4 VP n m a9.6329; 13.6606; 9.7949
90; 90; 90		1288.92Danisi, R. M.; Armbruster, T.; Lazic, B.
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature
American Mineralogist, 2012, 97, 1874-1880
9015809 CIFMg O3 SiP b c a18.204; 8.81; 5.1731
90; 90; 90		829.648Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa
American Mineralogist, 2012, 97, 1741-1748
9015811 CIFAl6.81 As0.093 B O17.884 Sb0.023 Si2.884P n m a4.6971; 11.8149; 20.2267
90; 90; 90		1122.5Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A.
The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21
The Canadian Mineralogist, 2012, 50, 855-872
9015812 CIFLa0.2 Nb2 O6 Sr0.8P n m a11.042; 7.644; 5.563
90; 90; 90		469.545Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Materials Research Bulletin, 1994, 29, 743-749
9015813 CIFNi TiP 1 1 21/m2.8758; 4.12644; 4.6325
90; 90; 96.964		54.567Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Annealed
Powder Diffraction, 2009, 24, 315-326
9015815 CIFCa O3 SnP b n m5.43626; 5.60235; 7.77743
90; 90; 90		236.868Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 6.73 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015816 CIFAl0.02 Ba0.85 Ca0.15 Fe0.26 K0.72 Mg0.08 Mn0.04 Na1.26 Nb0.16 O14 Si4 Ti1.24 Zr0.02I m m a8.0884; 10.497; 13.9372
90; 90; 90		1183.32Uvarova, Y. A.; Sokolova, E.; Hawthorne, F. C.; Liferovich, R. P.; Mitchell, R. H.; Pekov, I. V.; Zadov, A. E.
Noonkanbahite, BaKNaTi2(Si4O12)O2, a new mineral sepcies: description and crystal structure
Mineralogical Magazine, 2010, 74, 441-450
9015817 CIFAl8.652 B3.252 Ca0.01 F0.04 Fe0.039 H4.85 Li0.33 Mn0.249 Na0.46 O30.96 Si5.472 Ti0.009R 3 m :H15.8031; 15.8031; 7.0877
90; 90; 120		1532.92Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline
American Mineralogist, 2005, 90, 481-487
9015819 CIFCa O8 Ti Zr2.5I 41/a c d :215.189; 15.189; 10.111
90; 90; 90		2332.67Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M.
Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia
Crystallography Reports, 1995, 40, 746-748
9015820 CIFS7 Sb4 SnP 1 21/m 111.331; 3.865; 13.94
90; 105.281; 90		588.909Topa, D.; Makovicky, E.; Schimper, H. J.; Stadler, A.; Basch, A.; Dittrich, H.; Amthauer, G.
The crystal structure of SnSb4S7, a new member of the meneghinite homologous series
The Canadian Mineralogist, 2010, 48, 1119-1126
9015822 CIFCu OC 1 2/c 14.6776; 3.4593; 5.1264
90; 98.9645; 90		81.938Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 10 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015824 CIFNa Nb0.8 O2.9 Ti0.2P b m a5.5303; 15.5677; 5.5072
90; 90; 90		474.137Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2
Chemistry of Materials, 2003, 15, 1872-1878
9015826 CIFAl2.729 Ca1.95 Cr0.052 F0.06 Fe2.65 K0.54 Mg1.393 Mn0.03 Na0.47 O23.94 Si5.92 Ti0.226C 1 2/m 19.937; 18.108; 5.335
90; 105.3; 90		925.952Banno, Y.; Miyawaki, R.; Matsubara, S.; Sato, E.; Nakai, I.; Matsuo, G.; Yamada, S.
Potassic-ferropargasite, a new member of the amphibole group, from Kabutoichiba, Mie Prefecture, central Japan
Journal of Mineralogical and Petrological Sciences, 2009, 104, 374-382
9015827 CIFAl8.16 B3 F0.1 H3.83 Li0.84 Na0.43 O30.9 Si6R 3 m :H15.77; 15.77; 7.085
90; 90; 120		1525.93Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K.
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure
American Mineralogist, 1998, 83, 896-900
9015828 CIFC Fe O3R -3 c :H4.518; 4.518; 13.457
90; 90; 120		237.887Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-2, P = 39.0 GPa
Physical Review B, 2010, 82, 064110-064118
9015830 CIFAl1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07P 1 2/a 115.02; 6.959; 10.137
90; 111.74; 90		984.199Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y.
Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany
Mineralogical Magazine, 2012, 76, 2761-2771
9015831 CIFFe6 H12 K0.371 O34 Pb0.677 S4R -3 m :H7.3185; 7.3185; 33.7274
90; 90; 120		1564.44Basciano, L. C.; Peterson, R. C.
A crystallographic study of the incomplete solid-solution between plumbojarosite and jarosite Note Sample G
The Canadian Mineralogist, 2010, 48, 651-659
9015834 CIFAl0.08 As1.482 Fe2.81 H10 O14 P0.526P 1 21/c 110.2; 9.718; 5.5432
90; 94.05; 90		548.09Kolitsch, U.; Atencio, D.; Chukanov, N. V.; Zubkova, N. V.; Menezes, L. A. D.; Coutinho, J. M. V.; Birch, W. D.; Schluter, J.; Pohl, D.; Kampf, A. R.; Steele, I. M.; Favreau, G.; Nasdala, L.; Mockel, S.; Giester, G.; Pushcharovsky, D. Y.
Bendadaite, a new iron arsenate mineral of the arthurite group
Mineralogical Magazine, 2010, 74, 469-486
9015835 CIFC Ca O3R -3 c :H4.974; 4.974; 17.261
90; 90; 120		369.835Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015837 CIFCa3.5 Na4.5 O18 Si6P 3210.464; 10.464; 13.176
90; 90; 120		1249.42Fischer, R. X.; Tillmanns, E.
Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the low-temperature form of combeite
Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59
9015839 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7526; 4.7526; 9.2501
90; 90; 90		208.934Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q1, treated at 600 C for 20 min
Mineralogical Magazine, 2006, 70, 319-328
9015840 CIFCu1.84 SF m -3 m5.564; 5.564; 5.564
90; 90; 90		172.251Yamamoto, K.; Kashida, S.
X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu1.8S (low), T = 300 K
Journal of Solid State Chemistry, 1991, 93, 202-211
9015841 CIFCu OC 1 2/c 14.6844; 3.4792; 5.1215
90; 98.6836; 90		82.513Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 32 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015842 CIFFe S2P a -35.414; 5.414; 5.414
90; 90; 90		158.692Oftedal, I.
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit
Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299
9015843 CIFAl Fe H18 O21 S3P -3 1 c10.7065; 10.7065; 17.3077
90; 90; 120		1718.17Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2
The Canadian Mineralogist, 2010, 48, 323-333
9015844 CIFCu H16 O20 P2 U2P 4/n :26.96519; 6.96519; 17.3102
90; 90; 90		839.785Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.
Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.7 Angstrom phase while heating at 31.5 C
American Mineralogist, 2010, 95, 1132-1140
9015845 CIFAl1.46 Fe0.537 Mg1.001 O4F d -3 m :28.1703; 8.1703; 8.1703
90; 90; 90		545.399Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min
European Journal of Mineralogy, 2012, 24, 633-643
9015847 CIFFe Ge2 Li O6P 1 21/c 19.801; 8.769; 5.331
90; 108.66; 90		434.088Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 2.54 GPa
American Mineralogist, 2009, 94, 616-621
9015848 CIFAl7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 Pb0.006 Si6 Ti0.003R 3 m :H15.8306; 15.8306; 7.0999
90; 90; 120		1540.91Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015849 CIFMn2 O4 SiP n m a10.60016; 6.25753; 4.90338
90; 90; 90		325.245Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Journal of Applied Crystallography, 1999, 32, 51-59
9015850 CIFAl7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006R 3 m :H15.8438; 15.8438; 7.1043
90; 90; 120		1544.44Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015851 CIFC Ca O3P m c n4.975; 8.0446; 5.8329
90; 90; 90		233.444Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015852 CIFAg As1.89 Mn1.76 Pb2.12 S12 Sb3.23P 1 21/n 119.233; 12.633; 8.476
90; 90.08; 90		2059.42Bindi, L.; Keutsch, F. N.; Bonazzi, P.
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model I
American Mineralogist, 2012, 97, 440-446
9015853 CIFCu O10 Si4 SrP 4/n c c :27.36657; 7.36657; 15.5844
90; 90; 90		845.709Knight, K. S.; Henderson, C. M. B.; Clark, S. M.
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000
European Journal of Mineralogy, 2010, 22, 411-423
9015854 CIFAs2 Fe3 H27.12 Mo8 Na3.52 O50.56P n m b14.8866; 11.088; 15.056
90; 90; 90		2485.18Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W.
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Mineralogical Magazine, 2012, 76, 1175-1207
9015857 CIFFe0.765 H1.59 K Mg2.235 O12 Si4C 1 2/m 15.3416; 9.2411; 10.2332
90; 99.983; 90		497.486Scordari, F.; Schingaro, E.; Ventruti, G.; Lacalamita, M.; Ottolini, L.
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R7
Physics and Chemistry of Minerals, 2008, 35, 163-174
9015858 CIFMg2 O4 SiI m m a5.7016; 11.4427; 8.2491
90; 90; 90		538.185Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J.
High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K
American Mineralogist, 2012, 97, 1582-1590
9015859 CIFAl1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372C 1 2/m 19.9448; 18.0171; 5.2829
90; 105.445; 90		912.387Halenius, U.; Bosi, F.
Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden
American Mineralogist, 2012, 97, 1635-1640
9015861 CIFAl1.33 Ba0.05 F0.17 Fe0.807 H1.553 K0.83 Mg2.193 Na0.07 O11.83 Si2.67C 1 2/m 15.3403; 9.2481; 10.2327
90; 100.017; 90		497.665Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F.
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_14n
American Mineralogist, 2010, 95, 1458-1466
9015862 CIFAl0.37 Ca2 Fe1.63 O5P n m a5.4042; 14.6835; 5.5947
90; 90; 90		443.954Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 0.0001 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015863 CIFPd Sb2P a -36.4584; 6.4584; 6.4584
90; 90; 90		269.386Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9015866 CIFAl3.6 H20.04 K3.02 Na0.44 O34.02 Si8.4R -3 m :R9.442; 9.442; 9.442
94.29; 94.29; 94.29		834.316Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: K-exchanged
Zeolites, 1982, 2, 303-309
9015868 CIFB Ca H O5 SiP 1 21/c 14.8355; 7.6085; 9.6326
90; 90.159; 90		354.391Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 280 K
American Mineralogist, 2010, 95, 1413-1421
9015869 CIFCr0.5 H12 O21.5 Pb5 Te3C 2 2 219.6646; 19.4962; 10.5101
90; 90; 90		1980.34Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite
American Mineralogist, 2012, 97, 212-219
9015870 CIFCu2 O7 V2P 17.8468; 5.6213; 10.18
103.61; 109.71; 45.74		302.746Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting
Physical Review B, 2009, 79, 125201-125206
9015871 CIFB H O2P 1 21/a 17.122; 8.842; 6.771
90; 93.26; 90		425.698Zachariasen, W. H.
The crystal structure of monoclinic metaboric acid
Acta Crystallographica, 1963, 16, 385-389
9015875 CIFC0.704 H2 Al2.28 Na3.702 O15.112 Si3.72P 63 m c12.584; 12.584; 5.101
90; 90; 120		699.557Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E.
Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# u1631
The Canadian Mineralogist, 2012, 49, 1129-1150
9015879 CIFAl1.36 Ba0.03 F0.16 Fe0.806 H1.35 K0.89 Mg2.194 Na0.08 O11.84 Si2.64C 1 2/m 15.32568; 9.2207; 10.2093
90; 100.014; 90		493.705Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F.
Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_18n
American Mineralogist, 2010, 95, 1458-1466
9015880 CIFFe3 H14 O16 P2P -17.989; 9.321; 4.629
97.34; 95.96; 108.59		320.184Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V.
Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision
Mineralogical Magazine, 2012, 76, 725-741
9015882 CIFAl2.15 Ca2 Fe0.12 H Mn0.73 O13 Si3P 1 21/m 18.8727; 5.6686; 10.1682
90; 115.48; 90		461.675Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.25, run 30
American Mineralogist, 2010, 95, 1237-1246
9015884 CIFAl0.08 Ca2 Fe1.513 H Mg0.197 Mn0.21 O15 Si5P -17.469; 12.161; 6.675
86.09; 93.94; 112.21		559.398Armbruster, T.
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample Arvigo 1, NMBE 34973
Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284
9015885 CIFC Fe O3R -3 c :H4.348; 4.348; 12.52
90; 90; 120		204.981Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-3, P = 55.0 GPa
Physical Review B, 2010, 82, 064110-064118
9015886 CIFC Ca0.997 O3 Sr0.003P m c n4.9723; 7.9983; 5.7931
90; 90; 90		230.391Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K
American Mineralogist, 2012, 97, 707-712
9015887 CIFCu OC 1 2/c 14.6839; 3.4734; 5.1226
90; 98.73; 90		82.374Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 25 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015889 CIFCa Cl2 H8 O4P -16.5932; 6.3673; 8.5606
97.83; 93.5; 110.58		331.003Leclaire, A.; Borel, M. M.
Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha
Acta Crystallographica, Section B, 1979, 35, 585-588
9015890 CIFAl7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 Pb0.023 Si6R 3 m :H15.8456; 15.8456; 7.1066
90; 90; 120		1545.29Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015893 CIFC Ca O3P m c n4.9566; 7.9808; 5.7464
90; 90; 90		227.314Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 50 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015895 CIFCa6 H2 O13 Si3P -16.8155; 6.9363; 12.8904
90.652; 97.659; 98.195		597.495Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.
Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-free dellaite
Mineralogical Magazine, 2011, 75, 379-394
9015897 CIFLa0.924 Nb1.228 O6 Ti0.772P n m a10.96305; 7.58996; 5.46833
90; 90; 90		455.015Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.
Solving Structural Problems of Ceramic Materials
Croatica Chemica Acta, 2004, 77, 435-446
9015898 CIFC Ca O3P 63/m m c4.1304; 4.1304; 8.4749
90; 90; 120		125.213Le Bail, A.; Ouhenia, S.; Chateigner, D.
Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred
Powder Diffraction, 2011, 26, 16-21
9015900 CIFAl2 Ca H4 O10 Si2C m c m5.714; 8.592; 12.871
90; 90; 90		631.898Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa
Mineralogical Magazine, 2001, 65, 41-58
9015903 CIFAl7.2 B3 Ca0.02 F0.699 Fe0.909 H6.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06R 3 m :H15.9083; 15.9083; 7.1229
90; 90; 120		1561.11Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF
American Mineralogist, 2013, 98, 297-303
9015904 CIFAl4.86 Ca0.53 H31.48 K1.26 Mg Na0.15 O51.74 Si13.14P 63/m m c18.392; 18.392; 7.646
90; 90; 120		2239.87Galli, E.
Crystal structure refinement of mazzite
Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1975, 31, 599-612
9015905 CIFAl3.12 Ca0.348 H19.32 K0.52 Mg0.66 O33.66 Si8.88R -3 m :R9.3433; 9.3433; 9.3433
94.894; 94.894; 94.894		806.178Montagna, G.; Bigi, S.; Konya, P.; Szakall, S.; Vezzalini, G.
Chabazite-Mg: A new natural zeolite of the chabazite series
American Mineralogist, 2010, 95, 939-945
9015906 CIFFeF m -3 m3.477; 3.477; 3.477
90; 90; 90		42.035Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.72 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9015907 CIFBa10 Ca2 Cl8 H12 Mn O32 Si8 TiP 4/m m m14.03; 14.03; 5.635
90; 90; 90		1109.2Khan, A. A.; Baur, W. H.
Eight-membered cyclosilicate rings in muirite
Science, 1971, 173, 916-918
9015908 CIFC H Ho O4P 21 21 216.9583; 4.8121; 8.4558
90; 90; 90		283.134Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015909 CIFB Ca H O3P 1 21/c 13.5624; 9.5225; 8.6231
90; 119.452; 90		254.718Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K
The Canadian Mineralogist, 2011, 49, 823-834
9015910 CIFF Mg3 O5 SiP b n m4.7; 10.2; 8.72
90; 90; 90		418.037Taylor, W.; West, J.
The Structure of Norbergite _cod_database_code 1011009
Zeitschrift fur Kristallographie, 1929, 70, 461-474
9015911 CIFAl2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02C 1 2/m 19.9176; 18.0057; 5.2865
90; 105.395; 90		910.155Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R.
Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan
Journal of Mineralogical and Petrological Sciences, 2012, 107, 1-7
9015912 CIFAl7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009R 3 m :H15.8887; 15.8887; 7.1202
90; 90; 120		1556.68Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAP12
European Journal of Mineralogy, 2012, 24, 695-715
9015913 CIFAl8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018R 3 m :H15.9107; 15.9107; 7.1267
90; 90; 120		1562.42Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLG1
European Journal of Mineralogy, 2012, 24, 695-715
9015914 CIFC2.64 H40.56 Al0.75 Ca18 Ce0.18 F0.39 Fe3.6 K1.17 Mn5.72 Na47.84 Nb0.87 O254.37 Si75.57 Sr2.43 Ti0.57 Zr9.24R 3 m :H14.2418; 14.2418; 30.1143
90; 90; 120		5289.73Nomura, S. F.; Atencio, D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Coutinho, J. M. V.; Karipidis, T. K.
Manganoeudialyte - a new mineral from Pocos de Caldas, Minas Gerais, Brazil
Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 35-47
9015915 CIFAl7.293 B3 Ca0.684 F0.711 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6R 3 m :H15.8286; 15.8286; 7.1012
90; 90; 120		1540.8Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015918 CIFBa O10 Sc2 Si3P 1 21/m 15.273; 11.9181; 6.591
90; 107.06; 90		395.98Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
European Journal of Mineralogy, 2010, 22, 245-258
9015921 CIFAg0.51 Bi4 Cu0.463 Pb3.446 S10P n m a23.879; 4.0453; 19.017
90; 90; 90		1837Topa, D.; Makovicky, E.
The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 6
The Canadian Mineralogist, 2010, 48, 1081-1107
9015922 CIFAl2 Ca0.982 H4 O10 Si2 Sr0.018C m c m5.8422; 8.7904; 13.1344
90; 90; 90		674.521Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU76
American Mineralogist, 2010, 95, 724-735
9015923 CIFFe Ge2 Li O6P 1 21/c 19.843; 8.794; 5.352
90; 108.7; 90		438.81Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 1.25 GPa
American Mineralogist, 2009, 94, 616-621
9015924 CIFCu OC 1 2/c 14.6832; 3.4288; 5.1297
90; 99.3086; 90		81.287Calos, N. J.; Forrester, J. S.; Schaffer, G. B.
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 0 min
Journal of Solid State Chemistry, 1996, 122, 273-280
9015925 CIFC H O4 YbP 42/n m c :29.3771; 9.3771; 7.7117
90; 90; 90		678.09Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9015926 CIFEu O6 Ta2P n m a11.02; 7.64; 5.61
90; 90; 90		472.322Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.
Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
Zeitschrift fur Kristallographie, 1996, 211, 547-548
9015928 CIFAl8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012R 3 m :H15.8472; 15.8472; 7.0988
90; 90; 120		1543.91Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4
American Mineralogist, 2004, 89, 447-454
9015929 CIFO2 TiI 41/a m d :13.7845; 3.7845; 9.5143
90; 90; 90		136.268Howard, C. J.; Sabine, T. M.; Dickson, F.
Structural and thermal parameters for rutile and anatase
Acta Crystallographica, Section B, 1991, 47, 462-468
9015930 CIFAl1.457 Fe0.539 Mg1.002 O4F d -3 m :28.1708; 8.1708; 8.1708
90; 90; 90		545.499Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min
European Journal of Mineralogy, 2012, 24, 633-643
9015935 CIFCs2 H4 O25 Se5 U4P 1 21/n 110.913; 12.427; 18.448
90; 90.393; 90		2501.78Wylie, E. M.; Burns, P. C.
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 6
The Canadian Mineralogist, 2012, 50, 147-157
9015938 CIFCe H2 O5 PP 31 2 17.055; 7.055; 6.439
90; 90; 120		277.551Mooney, R. C. L.
Crystal structures of a series of rare earth phosphates
Journal of Chemical Physics, 1948, 16, 1003-1003
9015939 CIFAl3.396 Ca1.568 H24.942 Na0.492 O36.471 Si8.556R -3 m :R9.3943; 9.3943; 9.3943
94.369; 94.369; 94.369		821.455Nakatsuka, A.; Okada, H.; Fujiwara, K.; Nakayama, N.; Mizota, T.
Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite)
Microporous and Mesoporous Materials, 2007, 102, 188-195
9015940 CIFAl0.66 As0.48 B3 Ca3.15 F11.16 Fe0.27 Mn0.03 Na0.27 O39.64 P0.05 Si6.69 Sm7.71 Y4.38R 3 m :H10.675; 10.675; 27.02
90; 90; 120		2666.56Raade, G.; Johnsen, O.; Erambert, M.; Petersen, O. V.
Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group: descriptive data and crystal structure
Mineralogical Magazine, 2007, 71, 179-192
9015942 CIFC Ca0.997 O3 Sr0.003P m c n4.9596; 7.9644; 5.7416
90; 90; 90		226.795Ye, Y.; Smyth, J. R.; Boni, P.
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment
American Mineralogist, 2012, 97, 707-712
9015946 CIFAl1.608 Fe0.389 Mg1.003 O4F d -3 m :28.1481; 8.1481; 8.1481
90; 90; 90		540.965Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min
European Journal of Mineralogy, 2012, 24, 633-643
9015949 CIFAl Ca0.5 O4 SiP 1 21 18.22; 8.951; 4.828
90; 90; 90		355.231Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P.
The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description
The Canadian Mineralogist, 2012, 50, 585-592
9015950 CIFO4 Pb WI 41/a :25.456; 5.456; 12.02
90; 90; 90		357.811Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V.
Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure
Journal of Alloys and Compounds, 1996, 238, 46-48
9015955 CIFAl0.37 Ca2 Fe1.63 O5P n m a5.3549; 14.541; 5.5524
90; 90; 90		432.341Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 3.729 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9015956 CIFAl8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009R 3 m :H15.7959; 15.7959; 7.0815
90; 90; 120		1530.19Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3
American Mineralogist, 2004, 89, 447-454
9015957 CIFB6 H8 O14 SrP 1 21/a 114.36; 8.198; 9.93
90; 113.92; 90		1068.59Clark, J. R.
Boron-oxygen polyanion in the crystal structure of tunellite
Science, 1963, 141, 1178-1179
9015958 CIFCl H9 Mn8 O24 Si6P -3 m 113.37; 13.37; 7.11
90; 90; 120		1100.69Kashaev, A. A.
The crystal structure of pyrosmalite
Soviet Physics Crystallography, 1968, 12, 923-924
9015959 CIFAl3 Ca2 H O13 Si3P n m a16.1353; 5.5062; 9.9432
90; 90; 90		883.396Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 2.945 GPa
American Mineralogist, 2012, 97, 1165-1176
9015960 CIFC3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04P c c n8.9391; 9.4694; 16.9374
90; 90; 90		1433.72Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T.
Lanthanite-(Nd), Nd2(CO3)3*8H2O
Acta Crystallographica, Section E, 2013, 69, i15-i16
9015962 CIFC Fe O3R -3 c :H4.364; 4.364; 12.66
90; 90; 120		208.802Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P22, P = 49.2 GPa
Physical Review B, 2010, 82, 064110-064118
9015963 CIFAl1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3P 1 21/m 19.014; 12.074; 4.926
90; 100.48; 90		527.178Cooper, M. A.; Hawthorne, F. C.
Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006
The Canadian Mineralogist, 1994, 32, 15-19
9015964 CIFFe2 O3R -3 c :H5.0346; 5.0346; 13.7473
90; 90; 120		301.771Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9015965 CIFCl5 K Pb2P 1 21/c 18.864; 7.932; 12.491
90; 90.153; 90		878.23Schluter, J.; Pohl, D.; Britvin, S.
The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material
Neues Jahrbuch fur Mineralogie, Abhandlungen, 2005, 182, 95-101
9015967 CIFCr H2 O2P n n m4.8623; 4.2972; 2.9567
90; 90; 90		61.778Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9
European Journal of Mineralogy, 2012, 24, 839-850
9015968 CIFB Nd O5 SiP 31 2 16.8035; 6.8035; 6.6487
90; 90; 120		266.521Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H.
Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5
Journal of Alloys and Compounds, 1997, 259, 163-169
9015969 CIFC Ca O3P m c n4.9644; 8.0057; 5.7805
90; 90; 90		229.737Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 218 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9015970 CIFAl2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128C 1 2/c 19.027; 5.1999; 20.616
90; 100.113; 90		952.67Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E.
Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4
American Mineralogist, 2012, 97, 1460-1468
9015971 CIFAl1.608 Fe0.389 Mg1.001 O4F d -3 m :28.1477; 8.1477; 8.1477
90; 90; 90		540.885Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min
European Journal of Mineralogy, 2012, 24, 633-643
9015974 CIFMg39 O120 Si28P 135.02; 9.23; 7.89
112.94; 90; 90		2348.62Dodony, I.; Posfai, M.; Buseck, P. R.
Revised structure models for antigorite: An HRTEM study Note: n = 14
American Mineralogist, 2002, 87, 1443-1457
9015975 CIFCr O4 PbP 1 21/n 17.127; 7.438; 6.799
90; 102.43; 90		351.971Effenberger, H.; Pertlik, F.
Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4
Zeitschrift für Kristallographie, 1986, 176, 75-83
9015977 CIFK2 O10 Si3 TiP 21 21 217.1362; 9.9084; 12.9414
90; 90; 90		915.065Dadachov, M.; Le Bail, A.
Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390
9015978 CIFFe Ge2 Li O6C 1 2/c 19.457; 8.69; 5.113
90; 101.41; 90		411.889Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa
American Mineralogist, 2009, 94, 616-621
9015979 CIFNa Nb O3R -3 :H5.335; 5.335; 15.611
90; 90; 120		384.796Kumada, N.; Kinomura, N.; Muto, F.
Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~
Journal of the Ceramic Society of Japan, 1990, 98, 384-388
9015981 CIFCa O8 Ti Zr2.5I 41/a c d :215.2203; 15.2203; 10.1224
90; 90; 90		2344.93Rossell, H. J.
Calzirtite - A fluorite-related superstructure
Acta Crystallographica, Section B, 1982, 38, 593-595
9015983 CIFB H O2P b n m8.019; 9.703; 6.13
90; 90; 90		476.965Peters, C. R.; Milberg, M. E.
The refined structure of orthorhombic metaboric acid Note T = -130 C
Acta Crystallographica, 1964, 17, 229-234
9015984 CIFCa2 Fe2 H O15 Si5P -112.234; 6.707; 7.682
93.97; 111.53; 85.25		583.826Kosoi, A. L.
Structure of babingtonite
Kristallografiya, 1975, 20, 730-739
9015985 CIFFe1.001 Nb0.13 O6 Ta1.869P 42/m n m4.7509; 4.7509; 9.2811
90; 90; 90		209.484Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min
Mineralogical Magazine, 2006, 70, 319-328
9015986 CIFAs H6 K O9 UP 4/n c c :27.176; 7.176; 18.126
90; 90; 90		933.398Ross, M.; Evans, H. T.
Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O
American Mineralogist, 1964, 49, 1578-1602
9015987 CIFAl7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003R 3 m :H15.8363; 15.8363; 7.104
90; 90; 120		1542.91Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015988 CIFC1.083 H5.48 Mg2 N0.136 O11.376 Si3P n c n13.271; 27.072; 5.2748
90; 90; 90		1895.09Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G.
Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue
European Journal of Mineralogy, 2011, 23, 449-466
9015989 CIFAl2 H4 Mg2 O9 SiC 15.299; 9.181; 14.05
90.06; 90.3; 90		683.524Zheng, H.; Bailey, S. W.
Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1
Clays and Clay Minerals, 1997, 45, 301-310
9015992 CIFCa O3 SnP b n m5.5043; 5.6558; 7.8687
90; 90; 90		244.962Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.738 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015995 CIFAs Co0.01 Ni0.97 S0.02P 63 m c3.619; 3.619; 5.036
90; 90; 120		57.121Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M.
Primary minerals of the Jachymov ore district Sample MP511
Journal of the Czech Geological Society, 2003, 48, 19-147
9015996 CIFAl7.308 B3 Ca0.691 F0.679 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003R 3 m :H15.8303; 15.8303; 7.1017
90; 90; 120		1541.24Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015997 CIFC Fe O3R -3 c :H4.367; 4.367; 12.74
90; 90; 120		210.41Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P21, P = 47.49 GPa
Physical Review B, 2010, 82, 064110-064118
9015998 CIFK Mn2 O24 P5P 1 21/a 114.546; 15.211; 9.86
90; 105.12; 90		2106.09Schuelke, U.; Averbuch-Pouchot M
Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657
Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 545-550
9016000 CIFBa0.5 Cu O10 Si4 Sr0.5P 4/n c c :27.39675; 7.39675; 15.8465
90; 90; 90		866.992Knight, K. S.; Henderson, C. M. B.
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K
European Journal of Mineralogy, 2007, 19, 189-200
9016003 CIFCl1.45 Pb3.45 S6.55 Sb2.55P b a m15.194; 23.035; 4.0591
90; 90; 90		1420.66Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Guillot-Deudon C
Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45): The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and its polychalcogenide derivatives (N = 1-3)
Journal of Solid State Chemistry, 2008, 181, 920-934
9016004 CIFAl1.61 Fe0.391 Mg1.001 O4F d -3 m :28.1465; 8.1465; 8.1465
90; 90; 90		540.646Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min
European Journal of Mineralogy, 2012, 24, 633-643
9016006 CIFCe O6 Ta TiP n m a10.9694; 7.5288; 5.3829
90; 90; 90		444.554Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9016007 CIFAl1.46 Fe0.54 Mg1.002 O4F d -3 m :28.1706; 8.1706; 8.1706
90; 90; 90		545.459Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min
European Journal of Mineralogy, 2012, 24, 633-643
9016009 CIFFe5 Si3P 63/m c m6.7108; 6.7108; 4.688
90; 90; 120		182.838Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 5.7 GPa
Solid State Sciences, 2004, 6, 673-678
9016010 CIFCu3 H2 Mo2 O10P 1 21/n 15.3867; 14.001; 5.601
90; 98.535; 90		417.745Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y.
Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting
Chemical Research in Chinese Universities, 2006, 22, 679-683
9016012 CIFAl2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01C 1 2/c 15.2112; 9.0383; 19.9473
90; 95.769; 90		934.767Guven, N.
The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite
Zeitschrift fur Kristallographie, 1971, 134, 196-212
9016013 CIFCa2 Fe2 O5P n m a5.4271; 14.7619; 5.5978
90; 90; 90		448.464Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 0.0001 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9016016 CIFK SbP 1 21/c 15.582; 4.94; 10.255
90; 118.15; 90		249.334Honle, W.; Schnering, H. G.
Zur Struktur von LiP und KSb
Zeitschrift fur Kristallographie, 1981, 155, 307-314
9016017 CIFC Ca O3P m c n4.9731; 8.0384; 5.8236
90; 90; 90		232.803Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 398 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016018 CIFAl0.55 Ca2 Fe1.45 O5I 2 m b5.324; 14.438; 5.545
90; 90; 90		426.233Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 4.511 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9016019 CIFCa1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8C 1 2/m 19.841; 18.019; 5.307
90; 105.33; 90		907.58Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 0.67 GPa
American Mineralogist, 2010, 95, 1042-1051
9016020 CIFC Ca O3R -3 c :H4.9767; 4.9767; 17.361
90; 90; 120		372.382Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 578 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016021 CIFAl1.455 Fe0.545 Mg O4F d -3 m :28.1706; 8.1706; 8.1706
90; 90; 90		545.459Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min
European Journal of Mineralogy, 2012, 24, 633-643
9016022 CIFC Ca O3R -3 c :H4.99026; 4.99026; 17.0684
90; 90; 120		368.103Sitepu, H.
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model
Powder Diffraction, 2009, 24, 315-326
9016025 CIFFeF m -3 m3.475; 3.475; 3.475
90; 90; 90		41.963Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 24.37 GPa, T = 1073 K
American Mineralogist, 2012, 97, 1417-1420
9016027 CIFAs3 Ca0.4 Ce0.06 Cu6 Fe0.09 H12.96 La0.04 Nd0.01 O21 Y0.31P 63/m15.583; 15.583; 5.895
90; 90; 120		1239.7Aruga, A.; Nakai, I.
Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O
Acta Crystallographica, Section C, 1985, 41, 161-163
9016028 CIFMn O2P n a m9.32; 4.46; 2.85
90; 90; 90		118.467Kondrashev, Y. D.; Zaslavskii, A. I.
The structure of the modifications of manganese oxide
Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186
9016029 CIFAl1.459 Fe0.54 Mg1.003 O4F d -3 m :28.1705; 8.1705; 8.1705
90; 90; 90		545.439Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min
European Journal of Mineralogy, 2012, 24, 633-643
9016030 CIFCe0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02F m -3 m5.4203; 5.4203; 5.4203
90; 90; 90		159.247Zaitsev, A. N.; Chakhmouradian, A. R.; Siidra, O. I.; Spratt, J.; Williams, C. T.; Stanley, C. J.; Petrov, S. V.; Britvin, S. N.; Polyakova, E. A.
Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania
Mineralogical Magazine, 2011, 75, 2813-2822
9016031 CIFCr2.5 Fe2.5P 42/m n m8.8; 8.8; 4.544
90; 90; 90		351.887Bergman, G.; Shoemaker, D. P.
The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems
Acta Crystallographica, 1954, 7, 857-865
9016033 CIFCa Fe0.05 H4 K4 N2 Na4 O24 S4C 1 2/c 124.902; 5.3323; 17.246
90; 94.281; 90		2283.62Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G.
Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile
American Mineralogist, 2012, 97, 1783-1787
9016034 CIFAl2.872 H3 K0.201 N0.78 O12 Si3.128C 1 2/c 19.024; 5.2055; 20.825
90; 99.995; 90		963.396Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E.
Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7
American Mineralogist, 2012, 97, 1460-1468
9016035 CIFO3.6 Pb0.875 WP 4/n n c :27.719; 7.719; 12.018
90; 90; 90		716.068Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V.
Structural characterization of PbWO4 and related new phase Pb7W8O(32-x)
Journal of Alloys and Compounds, 1996, 238, 46-48
9016036 CIFAl14.648 Fe H Mg0.214 O32 Ti0.78 Zn6.37P 63 m c5.729; 5.729; 37.097
90; 90; 120		1054.45Armbruster, T.; Bermanec, V.; Zebec, V.; Oberhansli, R.
Titanium and iron poor zincohogbomite-16H, Zn14(Al,Fe3+,Ti,Mg)8Al24O62(OH)2, from Nezilovo, Macedonia: occurence and crystal structure of a new polysome
Schweizerische Mineralogische und Petrographische Mitteilungen, 1998, 78, 469-477
9016037 CIFAl7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 Pb0.007 Si6 Ti0.003R 3 m :H15.8299; 15.8299; 7.1009
90; 90; 120		1540.99Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9016039 CIFC H K O3P 1 21/a 115.115; 5.6044; 3.6609
90; 103.98; 90		300.931Thomas, J. O.; Tellgren, R.; Olovsson, I.
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign
Acta Crystallographica, Section B, 1974, 30, 1155-1166
9016041 CIFLi O8 Ta3C 1 2/c 19.41; 11.521; 5.0506
90; 91.108; 90		547.446Santoro, A.; Roth, R. S.; Minor, D.
Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate
Acta Crystallographica, Section B, 1977, 33, 3945-3947
9016042 CIFAl2 Ca0.82 H4 O10 Si2 Sr0.18C m c m5.8433; 8.8169; 13.1726
90; 90; 90		678.65Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83
American Mineralogist, 2010, 95, 724-735
9016044 CIFBa Mg2 O7 Si2C 1 2/c 17.24553; 12.71376; 13.74813
90; 90.2107; 90		1266.44Park, C. H.; Choi, Y. N.
Crystal structure of BaMg2Si2O7 and Eu2+ luminescence
Journal of Solid State Chemistry, 2009, 182, 1884-1888
9016046 CIFAl9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5P n m m :28.6891; 5.7755; 36.9504
90; 90; 90		1854.31Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M.
Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between "ardennite" and sursassite
Physics and Chemistry of Minerals, 2013, 40, 239-249
9016047 CIFBa Er2 O10 Si3P 1 21/m 15.389; 12.163; 6.84
90; 106.47; 90		429.941Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
European Journal of Mineralogy, 2010, 22, 245-258
9016050 CIFAl0.201 Fe0.339 H4 Mg2.544 O9 Si1.904P 3 1 m5.3263; 5.3263; 7.2885
90; 90; 120		179.069Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.
The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T
The Canadian Mineralogist, 2011, 49, 1045-1054
9016051 CIFAl1.463 Fe0.535 Mg1.002 O4F d -3 m :28.1704; 8.1704; 8.1704
90; 90; 90		545.419Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min
European Journal of Mineralogy, 2012, 24, 633-643
9016052 CIFMg O3 SiP b c a18.056; 8.692; 5.1192
90; 90; 90		803.421Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa
American Mineralogist, 2012, 97, 1741-1748
9016053 CIFC0.5 Ca3 O25 S1.27 SiP 6311.07; 11.07; 10.4397
90; 90; 120		1107.93Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.
The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal
Mineralogical Magazine, 2012, 76, 1133-1152
9016054 CIFH1.816 Na0.06 O15.908 Rb1.769 Si6 ZrC m c a14.2999; 14.4408; 14.769
90; 90; 90		3049.83Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.
Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 150 deg C
Crystallography Reports, 2011, 56, 832-841
9016056 CIFCd SeP 63 m c4.299; 4.299; 7.01
90; 90; 120		112.198Freeman, D. K.; Mair, S. L.; Barnea, Z.
The structure and Bijvoet ratios of cadmium selenide
Acta Crystallographica, Section A, 1977, 33, 355-359
9016057 CIFCu OC 1 c 14.6893; 3.4268; 5.1321
90; 99.653; 90		81.302Asbrink, S.; Waskowska, A.
CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K
Journal of Physics: Condensed Matter, 1991, 3, 8173-8180
9016060 CIFAl7.239 B3 Ca0.487 F0.708 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003R 3 m :H15.8636; 15.8636; 7.1119
90; 90; 120		1549.96Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9016061 CIFCu H2 O20 Pb6 Te4P 1 21/n 17.8552; 10.4836; 11.0426
90; 95.547; 90		905.108Kampf, A. R.; Marty, J.; Thorne, B.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: II. Housleyite, Pb6CuTe4O18(OH)2, a new mineral with Cu-Te octahedral sheets
American Mineralogist, 2010, 95, 1337-1342
9016063 CIFAs0.66 O14 P1.34 Pb3 Te Zn3P 3 2 18.3942; 8.3942; 5.1847
90; 90; 120		316.383Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M.
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
American Mineralogist, 2010, 95, 933-938
9016066 CIFFe15.18 H0.5 K1.72 Na4.42 O50 P12C 1 2/c 116.53; 10.084; 24.64
90; 105.75; 90		3953Yakubovich, O. V.; Matviyenko, Y. N.; Simonov, M. A.; Melnikov, O. K.
The crystalline structure of synthetic Fe3±arrojadites with the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 Note: the number of errors and/or typos in this paper is large
Vestnik Moskovskogo Universiteta Geologiya, 1986, 41, 36-47
9016067 CIFFe Ge2 Li O6C 1 2/c 19.448; 8.67; 5.101
90; 101.19; 90		409.901Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A.
High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.48 GPa
American Mineralogist, 2009, 94, 616-621
9016068 CIFCa3.46 O69.98 Si24I m m a20.082; 23.613; 12.709
90; 90; 90		6026.56Arletti, R.; Quartieri, S.; Vezzalini, G.
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: A case of high-pressure-induced over hydration, Sample: P = 2.5 GPa Note: assignment of site chemistry does not match chemical analysis
American Mineralogist, 2010, 95, 1247-1256
9016069 CIFCa1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8C 1 2/m 19.685; 17.794; 5.242
90; 105.94; 90		868.644Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 5.42 GPa
American Mineralogist, 2010, 95, 1042-1051
9016070 CIFB Ca H O5 SiP 1 21/c 14.8284; 7.5995; 9.631
90; 90.18; 90		353.393Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 100 K
American Mineralogist, 2010, 95, 1413-1421
9016071 CIFC Ca O3P m c n4.9778; 8.0528; 5.8462
90; 90; 90		234.346Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 477 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016072 CIFAl0.94 Cr0.06 Nb O4C 1 2/m 112.162; 3.7454; 6.491
90; 107.64; 90		281.772Ardit, M.; Dondi, M.; Cruciani, G.
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06
American Mineralogist, 2012, 97, 910-917
9016073 CIFAl0.706 Ca0.154 H3.27 Na0.592 O5.635 Si1.294P m n b10.1035; 9.7819; 10.1523
90; 90; 90		1003.37Gatta, G. D.; Birch, W. D.; Rotiroti, N.
Reinvestigation of the crystal structure of the zeolite gobbinsite: a single-crystal x-ray diffraction study
American Mineralogist, 2010, 95, 481-486
9016074 CIFAg17.742 As3.552 S15 Sb0.448P -3 m 17.5984; 7.5984; 15.557
90; 90; 120		777.859Bindi, L.; Menchetti, S.
Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K
American Mineralogist, 2011, 96, 792-796
9016076 CIFAl1.46 Fe0.539 Mg1.001 O4F d -3 m :28.1712; 8.1712; 8.1712
90; 90; 90		545.579Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min
European Journal of Mineralogy, 2012, 24, 633-643
9016077 CIFFe0.999 Nb0.13 O6 Ta1.871P 42/m n m4.7554; 4.7554; 9.2281
90; 90; 90		208.683Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min
Mineralogical Magazine, 2006, 70, 319-328
9016078 CIFN O12 P4 PrC 1 2/c 17.916; 12.647; 10.672
90; 110.34; 90		1001.79Masse, R.; Guitel, J. C.; Durif, A.
Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12
Acta Crystallographica, Section B, 1977, 33, 630-632
9016079 CIFAs0.54 Cl Cu4 O6 V0.46P b c m5.44; 11.154; 10.333
90; 90; 90		626.983Starova, G. L.; Krivovichev, S. V.; Filatov, S. K.
Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl
Zeitschrift für Kristallographie, 1998, 213, 650-653
9016080 CIFBa0.295 O4 Ti1.3 V0.7I 4/m10.139; 10.139; 2.961
90; 90; 90		304.389Shi, N.; Ma, Z.; Liu, W.
Crystal structure determination of ankangite with one dimensional incommensurate modulation
Acta Petrologica et Mineralogica, 1991, 10, 233-245
9016082 CIFC Fe O3R -3 c :H4.65; 4.65; 15.12
90; 90; 120		283.132Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P3, P = 4.89 GPa
Physical Review B, 2010, 82, 064110-064118
9016083 CIFAl5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05R 3 m :H15.96; 15.96; 7.238
90; 90; 120		1596.67Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9016084 CIFBa O3 TiA m m 23.9841; 5.6741; 5.6916
90; 90; 90		128.665Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 230 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9016086 CIFAl Cu F H5 O4C 1 2/m 112.346; 2.907; 10.369
90; 97.9; 90		368.61Hager, S. L.; Leverett, P.; Williams, P. A.
Possible structural and chemical relationships in the cyanotrichite group
The Canadian Mineralogist, 2009, 47, 635-648
9016089 CIFC H O4 TbP 21 21 217.0256; 4.8577; 8.4657
90; 90; 90		288.92Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.
Crystal chemistry of RE(CO3)OH
Zeitschrift fur Kristallographie, 2007, 222, 326-334
9016090 CIFAl1.609 Fe0.39 Mg1.001 O4F d -3 m :28.1476; 8.1476; 8.1476
90; 90; 90		540.865Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min
European Journal of Mineralogy, 2012, 24, 633-643
9016091 CIFAl2 Be3 H2 O19 Si6P 6/m c c9.213; 9.213; 9.206
90; 90; 120		676.712Gibbs, G. V.; Breck, D. W.; Meagher, E. P.
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous beryl
Lithos, 1968, 1, 275-285
9016092 CIFFe3.797 H12 Mg1.203 Na0.365 O24 P4C 2 2 2112.7997; 17.9081; 8.2112
90; 90; 90		1882.16Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.
Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure
The Canadian Mineralogist, 2012, 50, 781-791
9016095 CIFAs SP 1 21/n 18.873; 12.789; 6.251
90; 107; 90		678.349Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9016096 CIFAl1.609 Fe0.391 Mg O4F d -3 m :28.147; 8.147; 8.147
90; 90; 90		540.746Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min
European Journal of Mineralogy, 2012, 24, 633-643
9016097 CIFH10 Mn8 O25 Si6P -3 m 113.42; 13.42; 7.159
90; 90; 120		1116.57Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R.
The crystal structure and polytypism of manganpyrosmalite
Mineralogical Journal, 1969, 5, 450-467
9016099 CIFD4 Na3 O10 Si Ti2P 42/m c m7.8099; 7.8099; 11.956
90; 90; 90		729.251Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016100 CIFCa3 O7 Si2I 2 c m11.4525; 5.0867; 21.9963
90; 90; 90		1281.4Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M.
Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus
American Mineralogist, 2012, 97, 503-512
9016101 CIFAl9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018R 3 m :H15.843; 15.843; 7.1051
90; 90; 120		1544.46Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1
European Journal of Mineralogy, 2012, 24, 695-715
9016102 CIFAl2.964 H6.159 K0.876 Na0.071 O14.053 S2R -3 m :H6.9749; 6.9749; 17.315
90; 90; 120		729.506Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.
Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 25 C
Mineralogical Magazine, 2012, 76, 613-623
9016105 CIFCu OC 1 2/c 14.6833; 3.4208; 5.1294
90; 99.567; 90		81.033Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B.
Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K
Journal of Solid State Chemistry, 1990, 89, 184-190
9016106 CIFO0.18 Pb13.44 S36 Sb15.56C 1 2/m 148.19; 4.11; 34.24
90; 106.059; 90		6516.97Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S
Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia
European Journal of Mineralogy, 2012, 24, 727-740
9016109 CIFBa0.5 Cu O10 Si4 Sr0.5P 4/n c c :27.39482; 7.39482; 15.8504
90; 90; 90		866.753Knight, K. S.; Henderson, C. M. B.
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K
European Journal of Mineralogy, 2007, 19, 189-200
9016110 CIFAl Ge2 Li O6P 1 21/n 19.8986; 8.4008; 5.4016
90; 110.648; 90		420.323Redhammer, G. J.; Nestola, F.; Miletich, R.
Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr
American Mineralogist, 2012, 97, 1213-1218
9016111 CIFMg1.84 O4 Si0.98F d -3 m :28.1031; 8.1031; 8.1031
90; 90; 90		532.051Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K, split Si model
American Mineralogist, 2012, 97, 573-582
9016112 CIFBe OP 63 m c2.7109; 2.7109; 4.3999
90; 90; 120		28.003Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K
Journal of Applied Physics, 1986, 59, 3728-3733
9016113 CIFAl2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5P b m n13.0603; 13.0456; 6.5981
90; 90; 90		1124.18Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M.
Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K
American Mineralogist, 2010, 95, 495-502
9016115 CIFCa2 O12 Pb Si3 Zn3P 1 21/n 18.7889; 8.2685; 15.2535
90; 90.05; 90		1108.49Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W.
The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite
American Mineralogist, 2010, 95, 699-705
9016116 CIFMg0.6 Mn1.4 O4 SiP n m a10.52411; 6.17903; 4.83927
90; 90; 90		314.692Yamazaki, S.; Toraya, H.
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Journal of Applied Crystallography, 1999, 32, 51-59
9016118 CIFO7 P VP 1 21/c 17.613; 7.431; 9.482
90; 95.44; 90		534.002Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D
Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083
European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426
9016119 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7551; 4.7551; 9.281
90; 90; 90		209.852Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated
Mineralogical Magazine, 2006, 70, 319-328
9016121 CIFAg0.997 Au0.001 Bi0.003 Sb0.002F m -3 m4.077; 4.077; 4.077
90; 90; 90		67.768Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V.
Native silver and its new structural modifications Note: Sample DV-260
International Geology Review, 1981, 23, 485-494
9016123 CIFAs2 H10 Mn3 O14P 15.5828; 9.766; 5.5455
94.467; 111.348; 93.85		279.26Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C.
Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups
American Mineralogist, 2012, 97, 727-734
9016124 CIFAs2 H14 Mg0.4 Ni0.6 O17 U2C 1 2/m 117.91; 6.985; 6.594
90; 99.89; 90		812.659Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E.
New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite
European Journal of Mineralogy, 2012, 24, 923-930
9016125 CIFCa3 O5 SiP -111.6389; 14.1716; 13.6434
104.982; 94.622; 90.107		2166.2De la Torre, A. G.; De Vera, R. N.; Cuberos, A. J. M.; Aranda, M. A. G.
Crystal structure of low magnesium-content alite: application to Rietveld quantitative phase analysis
Cement and Concrete Research, 2008, 38, 1261-1269
9016126 CIFLa0.17 Na1.5 Nb2 O6P b c m5.5189; 5.5458; 15.6313
90; 90; 90		478.423Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .5, La.17Na1.5Nb2O6
Inorganic Materials, 2004, 40, 1324-1330
9016127 CIFAl Cl3 O6R -3 c :R7.85; 7.85; 7.85
97; 97; 97		471.94Andress, K.; Carpenter, C.
Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat _cod_database_code 1011008
Zeitschrift fur Kristallographie, 1934, 87, 446-463
9016129 CIFCa2 O4 SiP b n m5.074; 11.211; 6.753
90; 90; 90		384.142Zadov, A. E.; Gazeev, V. M.; Pertsev, N. N.; Gurbanov, A. G.; Gobechiya, E. R.; Yamnova, N. A.; Chukanov, N. V.
Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia
Geology of Ore Deposits, 2009, 51, 741-749
9016130 CIFAs2 PtP a -35.9665; 5.9665; 5.9665
90; 90; 90		212.402Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9016131 CIFC Na1.959 O3C 1 2/m 18.851; 5.24; 6.021
90; 101.08; 90		274.044Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I.
The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K
American Mineralogist, 2010, 95, 574-581
9016133 CIFAs SP 1 21/n 19.164; 13.227; 6.47
90; 106.56; 90		751.714Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9016134 CIFFe Si2P 4/m m m2.684; 2.684; 5.128
90; 90; 90		36.941Aronsson, B.
A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2
Acta Chemica Scandinavica, 1960, 14, 1414-1418
9016135 CIFB H O2P 1 21/a 17.127; 8.842; 6.773
90; 93.21; 90		426.144Demartin, F.; Gramaccioli, C. M.; Campostrini, I.
Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy
The Canadian Mineralogist, 2011, 49, 1273-1279
9016136 CIFB O8 P Th2P 1 21/c 18.4665; 7.9552; 8.2297
90; 103.746; 90		538.417Lipp, C.; Burns, P. C.
Th2[BO4][PO4]: a rare example of an actinide borate-phosphate
The Canadian Mineralogist, 2011, 49, 1211-1220
9016137 CIFBa Be2 O7 Si2P m 1 111.618; 4.904; 4.655
89.94; 90; 90		265.217Rastsvetaeva, R. K.; Chukanov, N. V.
Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7
Doklady Akademii Nauk, 2003, 388, 205-207
9016138 CIFMg1.88 O4 Si0.98F d -3 m :28.1084; 8.1084; 8.1084
90; 90; 90		533.096Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 586 K
American Mineralogist, 2012, 97, 573-582
9016139 CIFFe Ge O3C 1 2/c 19.7838; 9.1349; 5.1929
90; 101.75; 90		454.385Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G.
Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 50 K
American Mineralogist, 2012, 97, 694-706
9016140 CIFAl2 Fe H4 O10 Si2C c c b :113.77; 20.18; 5.109
90; 90; 90		1419.68MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J.
The crystal structure of ferrocarpholite
Acta Crystallographica, 1956, 9, 773-776
9016141 CIFCa3 F3 K2.44 Mg3 Na6.56 O36 S9P 63/m c m16.6682; 16.6682; 6.9007
90; 90; 120		1660.36Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y.
Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia
American Mineralogist, 2012, 97, 1788-1795
9016142 CIFNa2 O11 P TeP 635.908; 5.908; 15.09
90; 90; 120		456.143Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.
Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O)
Acta Crystallographica, Section B, 1979, 35, 1444-1447
9016143 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7507; 4.7507; 9.2794
90; 90; 90		209.428Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min
Mineralogical Magazine, 2006, 70, 319-328
9016145 CIFAg7.998 S3.897 Sn Te2.103F -4 3 m11.0003; 11.0003; 11.0003
90; 90; 90		1331.11Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T.
Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure
The Canadian Mineralogist, 2012, 50, 111-118
9016146 CIFC Ca O3P m c n4.9576; 7.9835; 5.7503
90; 90; 90		227.591Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 70 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016147 CIFAl0.235 Fe0.147 H4 Mg2.733 O9 Si1.882P 3 1 m5.3261; 5.3261; 7.273
90; 90; 120		178.675Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.
The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T
The Canadian Mineralogist, 2011, 49, 1045-1054
9016148 CIFH30 Na3 O43 V10P 1 21/n 112.0627; 17.1745; 18.2094
90; 106.34; 90		3620.08Duraisamy, T.; Ramanan, A.; Vittal, J. J.
Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O
Crystal Engineering, 2000, 3, 237-250
9016149 CIFBr2 CoP -3 m 13.728; 3.728; 6.169
90; 90; 120		74.25Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C.
Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2
Physical Review, 1959, 113, 497-507
9016150 CIFCl O2 Pb1.5 Te0.5B m m b5.5649; 5.5565; 12.475
90; 90; 90		385.744Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.
Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite
American Mineralogist, 2010, 95, 1569-1573
9016151 CIFC Ca O3P m c n4.9683; 8.0196; 5.7989
90; 90; 90		231.05Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 297 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016152 CIFBa O3 TiR 3 m :R4.0042; 4.0042; 4.0042
89.837; 89.837; 89.837		64.201Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 70 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9016153 CIFMg O3 SiP b c a18.105; 8.734; 5.1376
90; 90; 90		812.404Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa
American Mineralogist, 2012, 97, 1741-1748
9016154 CIFC Fe O3R -3 c :H4.3474; 4.3474; 12.534
90; 90; 120		205.154Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-1, P = 55.0 GPa
Physical Review B, 2010, 82, 064110-064118
9016155 CIFD4 Na O9 Si Ti2P 42/m c m7.88; 7.88; 11.953
90; 90; 90		742.214Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016156 CIFAl4 Ca2 O17 Si4C 1 2/c 120.82; 9.35; 8.359
90; 78.86; 90		1596.56Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.
Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C
American Mineralogist, 2012, 97, 1866-1873
9016157 CIFAl0.55 Ca2 Fe1.45 O5I 2 m b5.361; 14.5523; 5.5958
90; 90; 90		436.556Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 1.49 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9016160 CIFCu3 H6 O11 V2C 1 2/m 110.61; 5.866; 7.208
90; 95.04; 90		446.879Basso, R.; Palenzona, A.; Zefiro, L.
Crystal structure refinement of volborthite from Scrava mine (Eastern Liguria, Italy) Note: split O1 and O5 atoms
Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 385-394
9016161 CIFC0.118 H3.224 Cr0.23 Mg0.77 O2.966R -3 m :H3.09552; 3.09552; 23.5042
90; 90; 120		195.049Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.
The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: 3R1 polytype of stichtite
American Mineralogist, 2011, 96, 179-187
9016162 CIFAs Cu H3 O5P -16.433; 8.093; 15.764
86.65; 84.35; 84.47		811.928Prencipe, M.; Pushcharovsky, D. Y.; Sarp, H.; Ferraris, G.
Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals
Moscow University Geology Bulletin, 1996, 51, 51-58
9016163 CIFF0.24 H1.32 Mg4.7 O9.76 Si2 Ti0.3P 1 21/c 17.88; 4.726; 10.29
90; 109.04; 90		362.244Pekov, I. V.; Gerasimova, E. I.; Chukanov, N. V.; Kabalov, Y. K.; Zubkova, N. V.; Zadov, A. E.; Yapaskurt, V. O.; Gekimyants, V. M.; Pushcharovskii, D. Y.
Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group and its crystal structure
Doklady Akademii Nauk, 2011, 436, 526-532
9016164 CIFAl Be3 Ca4 H3 O28 Si9C m c m23.1965; 4.9741; 19.4221
90; 90; 90		2240.96Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.
Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals
American Mineralogist, 2010, 95, 519-526
9016165 CIFAl2 Co O4F d -3 m :28.1047; 8.1047; 8.1047
90; 90; 90		532.367Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl100
American Mineralogist, 2012, 97, 1834-1840
9016167 CIFCa Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036P 1 21/c 16.3868; 21.26; 15.365
90; 90.564; 90		2086.21Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W.
Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire
American Mineralogist, 2012, 97, 496-502
9016168 CIFN2 O13 P4 SiP -115.14; 7.684; 4.861
97.86; 96.74; 83.89		553.971Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.
Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine
Acta Crystallographica, Section B, 1976, 32, 2957-2960
9016169 CIFBi0.75 Pb0.125 Pt0.125 S0.796 Se0.026F m -3 m5.86; 5.865; 5.86
90; 90; 90		201.402Cook, N. J.; Wood, S. A.; Gebert, W.; Bernhardt, H. J.; Medenbach, O.
Crerarite, a new Pt-Bi-Pb-S mineral from the Cu-Ni-PGE deposit at Lac Sheen, Abitibi-Temiscaminque, Quebec, Canada
Neues Jahrbuch fur Mineralogie, Monatshefte, 1994, 1994, 567-575
9016171 CIFC O6 Pb2 S2P n m a16.343; 8.76; 4.592
90; 90; 90		657.412Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.
Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-02
Mineralogical Magazine, 2011, 75, 2721-2732
9016172 CIFAg0.507 Au1.49 Te4P m a 216.59; 8.867; 4.4886
90; 90; 90		660.289Dye, M. D.; Smyth, J. R.
The crystal structure and genesis of krennerite, Au3AgTe8
The Canadian Mineralogist, 2012, 50, 119-127
9016173 CIFNa Nb O3P 2 2 215.504; 5.568; 15.52
90; 90; 90		475.63Vousden, P.
The structure of ferroelectric sodium niobate at room temperature Note: this is a possible polymorph of lueshite
Acta Crystallographica, 1951, 4, 545-551
9016174 CIFAl3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021R 3 m :H16.073; 16.073; 7.306
90; 90; 120		1634.57Grice, J. D.; Ercit, T. S.
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl 2672
Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266
9016175 CIFAl1.61 Fe0.389 Mg1.001 O4F d -3 m :28.1481; 8.1481; 8.1481
90; 90; 90		540.965Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min
European Journal of Mineralogy, 2012, 24, 633-643
9016176 CIFAl7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6R 3 m :H15.8248; 15.8248; 7.0993
90; 90; 120		1539.65Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L15, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9016177 CIFAs1.079 H6.74 O7.87 Zn2P 1 21/c 111.793; 9.1138; 6.8265
90; 103.859; 90		712.346Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G.
Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
Mineralogical Magazine, 2012, 76, 1119-1131
9016179 CIFC Ca O3R -3 c :H4.976; 4.976; 17.227
90; 90; 120		369.404Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 337 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016180 CIFAl3 Ca2 H O13 Si3P n m a16.2004; 5.5529; 10.0423
90; 90; 90		903.397Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = .0001 GPa
American Mineralogist, 2012, 97, 1165-1176
9016181 CIFC0.49 Na4 O7.51 S1.51P m n m :25.198; 9.255; 7.085
90; 90; 90		340.842Giuseppetti, G.; Mazzi, F.; Tadini, C.
The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221
9016182 CIFC Fe3P b n m4.5144; 5.0787; 6.7297
90; 90; 90		154.294Lipson, H.; Petch, N. J.
The crystal structure of cementite, Fe3C
The Journal of the Iron and Steel Institute, 1940, 142, 95-103
9016184 CIFFeF m -3 m3.504; 3.504; 3.504
90; 90; 90		43.022Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 20.64 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9016186 CIFAl2 Ge H2 O6P n m a9.107; 8.551; 4.804
90; 90; 90		374.106Marler, B.; Wunder, B.
Crystal structure of dialuminium dihydroxogermanate, Al~2~GeO~4~(OH)~2~
Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 3-3
9016187 CIFFe5 Si3P 63/m c m6.7031; 6.7031; 4.676
90; 90; 120		181.952Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 7.5 GPa
Solid State Sciences, 2004, 6, 673-678
9016189 CIFCa O3 SnP b n m5.4448; 5.60887; 7.78906
90; 90; 90		237.871Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.98 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9016190 CIFTiP 63/m m c2.95; 2.95; 4.68
90; 90; 120		35.271Glavatskikh, S. F.; Gorshkov, A. I.
Natural analog of alpha-titanium in the exhalation products of the Great Tolbachik Fissure Eruption (Kamchatka)
Doklady Akademii Nauk SSSR, 1992, 327, 123-127
9016195 CIFCo1.5 Cs H4 O26 Se2 U4C 1 2/c 18.744; 14.38; 17.901
90; 103.654; 90		2187.24Wylie, E. M.; Burns, P. C.
Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 2
The Canadian Mineralogist, 2012, 50, 147-157
9016197 CIFO6 P Rb VP b c a6.8182; 9.291; 17.631
90; 90; 90		1116.89Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.
Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081
European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607
9016199 CIFAl2.09 Ca2 Fe0.91 H O13 Si3P 1 21/m 18.8902; 5.6366; 10.16
90; 115.432; 90		459.786Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=1.0, run 41
American Mineralogist, 2010, 95, 1237-1246
9016200 CIFC Ca O3R -3 c :H4.9757; 4.9757; 17.273
90; 90; 120		370.345Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 434 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016202 CIFBa Gd2 O10 Si3P 1 21/m 15.435; 12.241; 6.932
90; 106.26; 90		442.738Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
European Journal of Mineralogy, 2010, 22, 245-258
9016203 CIFAs2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12I a -3 d12.4929; 12.4929; 12.4929
90; 90; 90		1949.8Nagashima, M.; Armbruster, T.
Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures
Mineralogical Magazine, 2012, 76, 1081-1097
9016204 CIFH O5 P Zn2P -15.499; 5.654; 6.465
102.85; 102.77; 86.83		191.12Fanfani, L.; Zanazzi, P. F.
Dati strutturali sulla tarbuttite
Periodico di Mineralogia, 1965, 34, 539-545
9016206 CIFB11 H7 O22 Sr2P 1 21 16.7; 20.8; 6.6
90; 119.25; 90		802.501Rumanova, I. M.; Gandymov, O.
The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p
Soviet Physics Crystallography, 1971, 16, 75-81
9016209 CIFC2 H2 Ba0.09 Ca0.19 Ce0.11 Dy0.02 Er0.01 Gd0.02 La0.09 Na0.5 O7 Pr0.01 Sr0.71 Y0.24 Yb0.01R 3 m :H5.211; 5.211; 18.357
90; 90; 120		431.692Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P.
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O
Moscow University Geology Bulletin, 1992, 47, 60-70
9016211 CIFAs0.404 O14 P1.594 Pb3 Te Zn3P 3 2 18.392; 8.392; 5.204
90; 90; 120		317.394Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M.
The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
American Mineralogist, 2010, 95, 933-938
9016212 CIFFe1.1 Mg0.75 Mn0.15 O4 SiP b n m4.798; 10.39; 6.055
90; 90; 90		301.849Hazen, R. M.
Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 23 C, P = 1 atm , Evacuated silica capillary
American Mineralogist, 1977, 62, 286-295
9016213 CIFCr2 O3R -3 c :H4.953; 4.953; 13.5884
90; 90; 120		288.693Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011)
American Mineralogist, 2012, 97, 1764-1770
9016214 CIFPb10.15 S22 Sb7.85P 1 21/a 121.554; 23.454; 8.079
90; 100.76; 90		4012.35Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M.
The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype
The Canadian Mineralogist, 2012, 50, 181-199
9016215 CIFC Ca O3P b n m4.13; 7.15; 8.48
90; 90; 90		250.41Meyer, H. J.
Uber Vaterit und seine Struktur
Angewandte Chemie, 1959, 71, 678-679
9016216 CIFAl7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6R 3 m :H15.951; 15.951; 7.138
90; 90; 120		1572.83Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3
American Mineralogist, 2012, 97, 1402-1416
9016218 CIFAl0.04 As2.16 Ba0.468 Fe3.96 H9.04 K0.039 Na0.021 O18.52 P0.84P -4 3 m7.942; 7.942; 7.942
90; 90; 90		500.945Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D.
The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-C
The Canadian Mineralogist, 2010, 48, 1477-1485
9016220 CIFCa H7 K O13 Si4P 1 21/c 16.4897; 6.9969; 26.714
90; 94.597; 90		1209.12Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R.
Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family
European Journal of Mineralogy, 2010, 22, 547-555
9016221 CIFBa O9 Si3 TiP -6 c 26.5689; 6.5689; 9.6804
90; 90; 120		361.751Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 3.56 GPa
American Mineralogist, 2012, 97, 1749-1763
9016223 CIFC Ca O3P m c n4.9624; 7.9989; 5.7714
90; 90; 90		229.088Antao, S. M.; Hassan, I.
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 175 C Note: P = 101 kPa
The Canadian Mineralogist, 2010, 48, 1225-1236
9016224 CIFNa Nb0.95 O2.975 Ti0.05P b m a5.5528; 15.5597; 5.514
90; 90; 90		476.409Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05
Chemistry of Materials, 2003, 15, 1872-1878

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