Crystallography Open Database

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9016383 CIFAl4 Ca0.87 H4 Li3.72 Na0.41 O20 P4I m c b11.476; 15.744; 7.228
90; 90; 90
1305.94Hatert, F.; Lefevre, P.; Fransolet, A. M.
The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]
The Canadian Mineralogist, 2011, 49, 1079-1087
9016384 CIFAl0.03 Ba0.87 Ca0.02 F0.65 Fe0.11 H0.89 K0.2 Mg0.04 Mn0.4 Na2.84 Nb0.04 O17.35 Si4 Sr0.47 Ti2.82P n m n19.564; 7.1173; 5.4144
90; 90; 90
753.917Sokolova, E.; Hawthorne, F. C.
From structure topology to chemical composition. IV. Titanium silicates: The orthorhombic polytype of nabalamprophyllite from Lovozero Massif, Kola Peninsula, Russia Note: polytype nabalamprophyllite-2O
The Canadian Mineralogist, 2008, 46, 1323-1331
9016385 CIFMg2 O4 SiP b n m4.7534; 10.1902; 5.9783
90; 90; 90
289.577Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R.
X-ray determination of electron distributions in forsterite, fayalite and tephroite
Acta Crystallographica, Section B, 1981, 37, 513-518
9016387 CIFAs2 H8 Mg O16 U2C 1 2/m 118.207; 7.062; 6.661
90; 99.65; 90
844.338Bachet, B.; Brassy, C.
Structure of Mg[(UO2)(AsO4)]2*4H2O
Acta Crystallographica, Section C, 1991, 47, 2013-2015
9016388 CIFFe S4 Sb2P n a m11.4164; 14.1705; 3.7632
90; 90; 90
608.796Periotto, 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 = 0.0001 GPa the Baia Mare metallogenic area, Romania
The Canadian Mineralogist, 2012, 50, 201-218
9016391 CIFAl6.606 B3 Ca0.017 F0.106 Fe1.044 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015R 3 m :H15.935; 15.935; 7.164
90; 90; 120
1575.4Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V.
Linking structure and chemistry in the schorl-dravite series Sample Ru-T17-92
American Mineralogist, 1999, 84, 922-928
9016392 CIFAl2.892 H6 K0.876 Na0.071 O14 S2R -3 m :H6.9897; 6.9897; 17.574
90; 90; 120
743.564Zema, 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 = 400 C
Mineralogical Magazine, 2012, 76, 613-623
9016394 CIFCl6 K4 MnR -3 c :R8.468; 8.468; 8.468
89.53; 89.53; 89.53
607.154Bellanca, A.
La struttura della cloromanganocalite
Periodico di Mineralogia, 1947, 16, 73-88
9016395 CIFH24 N6 O19 P6R -3 :H15.445; 15.445; 7.553
90; 90; 120
1560.36Averbuch-Pouchot M
Structure of ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008850
Acta Crystallographica, Section C, 1989, 45, 539-540
9016396 CIFBe2 Ca0.3 Dy0.4 Fe0.242 O10 Si2 Y1.3P 1 21/a 19.883; 7.6091; 4.7423
90; 90.342; 90
356.618Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Okamoto, A.
Hingganite-(Ce) and hingganite-(Y) from Tahara, Hirukawa-mura, Gifu Prefecture, Japan: The description on a new mineral species of the Ce-analogue of hingannite-(Y) with a refinement of the crystal structure of hingganite-(Y)
Journal of Mineralogical and Petrological Sciences, 2007, 102, 1-7
9016397 CIFAl3 Be2 F2 K0.983 Na6.017 O39 Si15P -3 m 114.386; 14.386; 4.873
90; 90; 120
873.388Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G.
Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway
European Journal of Mineralogy, 2010, 22, 875-880
9016399 CIFHg Pt2 Se3P -3 m 17.3477; 7.3477; 5.2955
90; 90; 90
285.897Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J.
Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
The Canadian Mineralogist, 2012, 50, 431-440
9016400 CIFO2 SiP 1 21/c 18.011; 4.544; 8.89
90; 121; 90
277.391Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.5 GPa, data transformed from Dove et al (2000)
Physics and Chemistry of Minerals, 2011, 38, Online-first
9016401 CIFAl5.439 B3 Ca0.368 F0.495 Fe1.143 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033R 3 m :H15.965; 15.965; 7.199
90; 90; 120
1589.06Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V.
Linking structure and chemistry in the schorl-dravite series Sample #32008
American Mineralogist, 1999, 84, 922-928
9016403 CIFO2 SiP 41 21 24.746; 4.746; 6.445
90; 90; 90
145.171Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T.
New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.6 GPa
Physics and Chemistry of Minerals, 2011, 38, Online-first
9016405 CIFCe O4 PP 1 21/n 16.76; 7; 6.44
90; 103.63; 90
296.159Mooney, R. C. L.
Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value
Journal of Chemical Physics, 1948, 16, 1003-1003
9016407 CIFBa Cr2 O13 PP -110.189; 8.207; 7.749
108.8; 107.14; 89.04
583.971Averbuch-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
9016408 CIFBe OP 63 m c2.6928; 2.6928; 4.3705
90; 90; 120
27.445Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 1.1 GPa
Journal of Applied Physics, 1986, 59, 3728-3733
9016410 CIFC Fe O3R -3 c :H4.5; 4.5; 13.25
90; 90; 120
232.365Lavina, 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 P16, P = 44.14 GPa
Physical Review B, 2010, 82, 064110-064118
9016411 CIFAl2 Ca0.965 H4 O10 Si2 Sr0.035C m c m5.8415; 8.7916; 13.136
90; 90; 90
674.614Liebscher, 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 #AU78
American Mineralogist, 2010, 95, 724-735
9016413 CIFF2 SrF m -3 m5.713; 5.713; 5.713
90; 90; 90
186.463Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Nikolaev, A. P.
Strontiofluorite, SrF2, a new mineral species from the Khibiny Massif, Kola Peninsula, Russia
The Canadian Mineralogist, 2010, 48, 1487-1492
9016416 CIFAl1.461 Fe0.54 Mg0.999 O4F d -3 m :28.1694; 8.1694; 8.1694
90; 90; 90
545.218Princivalle, 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 = 45 min
European Journal of Mineralogy, 2012, 24, 633-643
9016420 CIFAl7.308 B3 Ca0.011 F0.48 Fe0.021 H3.25 K0.002 Li0.378 Mn1.233 Na0.693 O30.57 Si5.928R 3 m :H15.9466; 15.9466; 7.1384
90; 90; 120
1572.06Ertl, 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 BT
American Mineralogist, 2003, 88, 1369-1376
9016422 CIFCr NF m -3 m4.148; 4.148; 4.148
90; 90; 90
71.37Nolze, G.; Wagner, G.; Saliwan Neumann, R.; Skála R; Geist, V.
Orientation relationships of carlsbergite in schreibersite and kamacite in the north Chile iron meteorite
Mineralogical Magazine, 2006, 70, 373-382
9016424 CIFAg0.986 Bi2.905 Pb S6 Sb0.109P 1 21/c 17.0567; 19.6905; 8.2219
90; 106.961; 90
1092.74Makovicky, E.; Topa, D.
The crystal structure of gustavite, PbAgBi3S6 Analysis of twinning and polytypism using the OD approach
European Journal of Mineralogy, 2011, 23, 537-550
9016425 CIFAg0.44 Bi13.19 Cu4 Pb12.27 S34C 1 2/m 137.432; 4.0529; 43.545
90; 108.8; 90
6253.69Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G.
Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania
The Canadian Mineralogist, 2012, 50, 353-370
9016426 CIFCe O4 VI 41/a m d :27.3308; 7.3308; 6.4356
90; 90; 90
345.853Chakoumakos, B. C.; Abraham, M. M.; Boatner, L. A.
Crystal structure refinements of zircon-type MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
Journal of Solid State Chemistry, 1994, 109, 197-202
9016427 CIFCr2 O3R -3 c :H4.605; 4.605; 12.854
90; 90; 120
236.063Kantor, 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 = 70.4 GPa
American Mineralogist, 2012, 97, 1764-1770
9016429 CIFB H2 O2P 1 21/c 17.409; 7.666; 7.0421
90; 116.04; 90
359.371Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J.
The solid-state structure of diboronic acid, B2(OH)4
New Journal of Chemistry, 2003, 27, 772-775
9016430 CIFAl K0.982 O4 SiP 3 1 c5.1627; 5.1627; 8.7352
90; 90; 120
201.631Gatta, 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 = 250 K
American Mineralogist, 2010, 95, 1027-1034
9016433 CIFMg1.92 O4 SiF d -3 m :28.0889; 8.0889; 8.0889
90; 90; 90
529.259Ye, 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 = 396 K
American Mineralogist, 2012, 97, 573-582
9016434 CIFAl2 Cu0.44 Mg0.56 O4F d -3 m :28.0846; 8.0846; 8.0846
90; 90; 90
528.416Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm
American Mineralogist, 2012, 97, 1821-1827
9016435 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 = 1
Journal of Applied Crystallography, 1999, 32, 51-59
9016436 CIFCs6 Mo7 O38 P7P n m a10.084; 21.297; 17.491
90; 90; 90
3756.35Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B.
A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603
Journal of Solid State Chemistry, 1994, 111, 315-321
9016437 CIFCl HB b 21 m5.053; 5.373; 5.825
90; 90; 90
158.147Sandor, E.; Farrow, R. F. C.
Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K
Nature, 1967, 213, 171-172
9016439 CIFAs8 S9P 1 2/c 19.9342; 9.5566; 9.1104
90; 102.397; 90
844.749Zoppi, M.; Pratesi, G.
The dual behavior of the beta-As4S4 altered by light
American Mineralogist, 2012, 97, 890-896
9016441 CIFAl Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25B 1 1 2/b16.476; 24.581; 9.996
90; 90; 105.79
3895.58Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V.
Crystal structure of arrojadite
Kristallografiya, 1979, 24, 743-750
9016445 CIFAl2.889 H6 K0.876 Na0.071 O14 S2R -3 m :H6.9859; 6.9859; 17.481
90; 90; 120
738.825Zema, 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 = 300 C
Mineralogical Magazine, 2012, 76, 613-623
9016449 CIFFe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25R -3 :H10.3894; 10.3894; 20.8709
90; 90; 120
1950.98Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G.
Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group
European Journal of Mineralogy, 2012, 24, 1061-1067
9016450 CIFBa O9 Si3 TiP 3 1 c11.3382; 11.3382; 9.6584
90; 90; 120
1075.29Hejny, 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 = 4.75 GPa
American Mineralogist, 2012, 97, 1749-1763
9016452 CIFB Ca H O5 SiP 1 21/c 14.8298; 7.6002; 9.6321
90; 90.183; 90
353.568Rinaldi, R.; Gatta, G. D.; Angel, R. J.
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 130 K
American Mineralogist, 2010, 95, 1413-1421
9016453 CIFC3 H2 K3 Na O12 UP -6 2 c9.3; 9.3; 8.294
90; 90; 120
621.242Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P.
The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample B
Mineralogical Magazine, 2012, 76, 443-453
9016457 CIFFe2 O3R -3 c :H5.0066; 5.0066; 13.6411
90; 90; 120
296.119Finger, L. W.; Hazen, R. M.
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 43.9 kbar
Journal of Applied Physics, 1980, 51, 5362-5367
9016458 CIFAs SP 1 21/n 18.719; 12.634; 6.149
90; 107.1; 90
647.405Hejny, 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 = 5.40 GPa
Physics and Chemistry of Minerals, 2012, 39, 399-412
9016464 CIFC Ca O3R -3 c :H4.9775; 4.9775; 17.2949
90; 90; 120
371.083Antao, 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
9016465 CIFBa10 O24 P6 SP -310.252; 10.252; 7.659
90; 90; 120
697.14Henning, 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
9016466 CIFFe Nb0.13 O6 Ta1.87P 42/m n m4.7561; 4.7561; 9.2748
90; 90; 90
209.8Zema, M.; Tarantino, S. C.; Giorgiani, A.
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q0, untreated
Mineralogical Magazine, 2006, 70, 319-328
9016467 CIFMg1.92 O4 Si0.98F d -3 m :28.0777; 8.0777; 8.0777
90; 90; 90
527.064Ye, 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 = 243 K
American Mineralogist, 2012, 97, 573-582
9016470 CIFAl0.37 Ca2 Fe1.63 O5P n m a5.3246; 14.4558; 5.5273
90; 90; 90
425.444Vanpeteghem, 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 = 6.267 GPa
Physics and Chemistry of Minerals, 2008, 35, 493-504
9016471 CIFCa8 O18 Si5P b c n5.0851; 11.4165; 28.6408
90; 90; 90
1662.71Galuskin, 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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