Crystallography Open Database

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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

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