Crystallography Open Database

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9005687 CIFAl7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03R 3 m :H15.9158; 15.9158; 7.1201
90; 90; 120
1561.97Ertl, A.; Schuster, R.; Prowatke, S.; Brandstatter, F.; Ludwig, T.; Bernhardt, H. J.; Koller, F.; Hughes, J. M.
Mn-rich tourmaline and fluorapatite in a Variscan pegmatite from Eibenstein an der Thaya, Bohemian massif, Lower Austria
European Journal of Mineralogy, 2004, 16, 551-560
9005689 CIFAl5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06R 3 m :H15.9443; 15.9443; 7.2094
90; 90; 120
1587.23Marschall, H. R.; Ertl, A.; Hughes, J. M.; McCammon, C. A.
Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, associated with omphacite, from Syros, Greece: chemistry and structure Sample: SY309B
European Journal of Mineralogy, 2004, 16, 817-823
9007661 CIFMo S2R 3 m :H3.163; 3.163; 18.37
90; 90; 120
159.162Schonfeld, B.; Huang, J. J.; Moss, S. C.
Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype
Acta Crystallographica, Section B, 1983, 39, 404-407
9008157 CIFAs4 Pb9 S15R 3 m :H17.758; 17.758; 7.807
90; 90; 120
2132.08Ribar, B.; Nowacki, W.
Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
Zeitschrift fur Kristallographie, 1969, 128, 321-338
9009148 CIFMo S2R 3 m :H3.16; 3.16; 18.45
90; 90; 120
159.552Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 280-281
9009265 CIFCa9 O15 Si3R 3 m :H7.078; 7.078; 24.94
90; 90; 120
1082.05O'Daniel H; Hellner, E.
Zur struktur von 3CaO*SiO2
Neues Jahrbuch fur Mineralogie, Monatshefte, 1950, 1950, 108-111
9009291 CIFAl3 Ba0.95 H6 O14 P2 Sr0.01R 3 m :H7.0363; 7.0363; 17.28188
90; 90; 120
740.987Radoslovich, E. W.; Slade, P. G.
Pseudo-trigonal symmetry and the structure of gorceixite
Neues Jahrbuch fur Mineralogie, Monatshefte, 1980, 1980, 157-170
9009315 CIFAl7.53 B3 Ca0.04 H4 Li0.42 Mn0.93 Na0.85 O31 Si6R 3 m :H15.916; 15.916; 7.13
90; 90; 120
1564.19Nuber, B.; Schmetzer, K.
Structural refinement of tsilaisite (manganese tourmaline)
Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 301-304
9009332 CIFFe3 H6 O14 P Pb SR 3 m :H7.28; 7.28; 16.821
90; 90; 120
772.05Giuseppe, G.; Tadini, C.
Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered arrangement of the tetrahedral cations Note: this is the prefered structure of these authors
Neues Jahrbuch fur Mineralogie, Monatshefte, 1987, 1987, 71-81
9009439 CIFC0.125 H8 Fe0.25 Mg0.75 O2.875R 3 m :H3.13; 3.13; 23.49
90; 90; 120
199.298Ingram, L.; Taylor, H. F. W.
The crystal structures of sjoegrenite and pyroaurite
Mineralogical Magazine, 1967, 36, 465-479
9009489 CIFC3 Ce O13 P Sr3R 3 m :H10.073; 10.073; 9.234
90; 90; 120
811.406Hughes, J. M.; Yunxiang, N.
A high-precision crystal structure refinement of daqingshanite-(Ce) from Nkombwa Hill carbonatite, Zambia
Mineralogical Magazine, 1994, 58, 493-496
9009650 CIFAsR 3 m :H3.7597; 3.7597; 10.4412
90; 90; 120
127.817Schiferl, D.; Barrett CS
The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K
Journal of Applied Crystallography, 1969, 2, 30-36
9010125 CIFAl7.41 B3.12 Ca0.57 F0.76 H3.24 Li1.32 Mn0.06 Na0.29 O30.24 Si5.88R 3 m :H15.8322; 15.8322; 7.1034
90; 90; 120
1541.98Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID3NEW
American Mineralogist, 2006, 91, 1847-1856
9010126 CIFAl7.56 B3.24 Ca0.5 F0.56 Fe0.06 H3.441 Li1.14 Mn0.03 Na0.34 O30.44 Si5.76R 3 m :H15.8204; 15.8204; 7.0955
90; 90; 120
1537.97Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID6A1
American Mineralogist, 2006, 91, 1847-1856
9010127 CIFAl7.62 B3.3 Ca0.41 F0.51 Fe0.03 H3.489 Li1.08 Mn0.03 Na0.41 O30.49 Si5.7R 3 m :H15.8119; 15.8119; 7.0925
90; 90; 120
1535.67Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID52
American Mineralogist, 2006, 91, 1847-1856
9010128 CIFAl7.83 B3.42 Ca0.3 F0.5 H3.501 Li0.9 Na0.46 O30.5 Si5.58R 3 m :H15.8095; 15.8095; 7.0941
90; 90; 120
1535.55Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H.
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LC1
American Mineralogist, 2006, 91, 1847-1856
9010545 CIFCa4.68 Ce0.45 Cl0.764 Fe2.28 H1.244 K0.3 La0.33 Mn1.86 Na13.02 Nb0.62 Nd0.12 O78.494 Si25.12 Sr0.12 Ta0.04 Ti0.06 Y0.18 Zr3R 3 m :H14.2277; 14.2277; 29.987
90; 90; 120
5256.94Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #2
The Canadian Mineralogist, 1999, 37, 865-891
9010546 CIFCa4.8 Ce0.75 Cl1.08 Fe1.47 H0.93 K0.24 La0.51 Mn2.34 Na13.08 Nb0.78 Nd0.15 O76.47 Si24.93 Sr0.06 Ta0.07 Y0.18 Zr3R 3 m :H14.2602; 14.2602; 29.98
90; 90; 120
5279.75Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #3 Note: additional sites with low but unreported occupancies excluded
The Canadian Mineralogist, 1999, 37, 865-891
9010547 CIFCa3.72 Ce0.39 Cl0.4 Fe1.05 H1.58 K0.24 La0.24 Mn3.42 Na13.35 Nb0.79 Nd0.09 O76.7 Si25.33 Sr0.12 Ti0.12 Y0.12 Zr2.76R 3 m :H14.1854; 14.1854; 30.101
90; 90; 120
5245.6Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #4 Note: additional sites with low but unreported occupancies excluded
The Canadian Mineralogist, 1999, 37, 865-891
9010549 CIFCa6.39 Ce0.039 Cl0.636 Fe2.1 H1.362 K0.36 La0.036 Mn0.81 Na11.37 Nb0.31 O77.092 Si25 Sr2.745 W0.52 Zr2.97R 3 m :H14.2959; 14.2959; 30.084
90; 90; 120
5324.63Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #6
The Canadian Mineralogist, 1999, 37, 865-891
9010554 CIFBa0.06 Ca6.78 Ce0.06 Cl0.841 Fe1.05 H1.139 K0.3 La0.06 Mn1.44 Na11.64 Nb0.715 O76.004 Si25.38 Sr1.32 Ti0.345 Y0.06 Zr2.58R 3 m :H14.271; 14.271; 30.16
90; 90; 120
5319.5Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #11
The Canadian Mineralogist, 1999, 37, 865-891
9010556 CIFAl0.15 Ca3.36 Ce0.71 Cl0.269 F1.541 Fe0.75 H0.192 Hf0.06 K0.3 La0.58 Mn3.78 Na13.93 Nb0.55 Nd0.138 O75.752 Si25.11 Sr0.15 Ti0.2 Y0.42 Zr2.95R 3 m :H14.199; 14.199; 30.139
90; 90; 120
5262.29Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #13
The Canadian Mineralogist, 1999, 37, 865-891
9010559 CIFCa4.95 Ce0.582 Cl0.45 Fe1.05 H1.549 K0.33 La0.408 Mn2.49 Na13.05 Nb0.95 Nd0.15 O77.549 Si24.93 Sr0.72 Y0.24 Zr2.97R 3 m :H14.2784; 14.2784; 30.089
90; 90; 120
5312.48Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #16
The Canadian Mineralogist, 1999, 37, 865-891
9010560 CIFAl0.84 Ba0.03 Ca3.51 Ce0.573 Cl0.798 F1.2 Fe1.5 K0.285 La0.327 Mn2.16 Na12.96 Nb0.46 Nd0.327 O74.93 Si24.94 Sr0.57 Ti0.36 Y0.51 Yb0.141 Zr3.086R 3 m :H14.22; 14.22; 30.15
90; 90; 120
5279.8Johnsen, O.; Grice, J. D.
The crystal chemistry of the eudialyte group Sample: #17 Note: additional sites with low but unreported occupancies excluded Note: X2d reported but missing z-coordinate
The Canadian Mineralogist, 1999, 37, 865-891
9010664 CIFAl0.381 As1.16 Ca0.02 Ce0.44 Fe1.671 La0.21 Nd0.22 O13 Si1.68 Sn0.009 Th0.06 Ti0.939 U0.02 Y0.03R 3 m :H6.508; 6.508; 18.52
90; 90; 120
679.308Demartin, F.; Gramaccioli, C. M.; Graeser, S.
The crystal structure of cervandonite-(Ce), an interesting example of As3+ - Si diadochy Note: Chemistry from original description of the mineral.
The Canadian Mineralogist, 2008, 46, 423-430
9010716 CIFAl7 B3 Ca0.483 H3.333 K0.105 Li2 Na0.412 O31 Si6R 3 m :H15.88; 15.88; 7.118
90; 90; 120
1554.5Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.
Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar
European Journal of Mineralogy, 1999, 11, 237-242
9010717 CIFAl7 B3 Ca0.452 H3.333 K0.04 Li2 Na0.435 O31 Si6R 3 m :H15.882; 15.882; 7.115
90; 90; 120
1554.23Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.
Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 Locality: Madagascar
European Journal of Mineralogy, 1999, 11, 237-242
9010751 CIFAl19.35 B9 F2.28 Fe6.75 H17.72 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09R 3 m :H15.997; 15.997; 7.179
90; 90; 120
1591.01Ertl, A.; Kolitsch, U.; Prowatke, S.; Dyar, M. D.; Henry, D. J.
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal structure and chemistry Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy
European Journal of Mineralogy, 2006, 18, 583-588
9011454 CIFCa3 O4.987 SiR 3 m :H7.135; 7.135; 25.586
90; 90; 120
1128.03Nishi, F.; Takeuchi, Y.
The rhombohedral structure of tricalcium silicate at 1200 C Sample: T = 1200 C Note: cannot reconcile reported structure with reported bond lengths
Zeitschrift fur Kristallographie, 1984, 168, 197-212
9011770 CIFCa5.151 Cl1.74 Fe1.932 Hf0.051 K0.171 Mn1.503 Na10.65 Nb1.27 O76.401 Si24.45 Sn0.03 Sr3.87 Y0.138 Zr2.88R 3 m :H14.2828; 14.2828; 30.0222
90; 90; 120
5303.96Petersen, O. V.; Johnsen, O.; Gault, R. A.; Niedermayr, G.; Grice, J. D.
Taseqite, a new member of the eudialyte group from the Ilimaussaq alkaline complex, South Greenland Locality: Ilimaussaq alkaline complex, South Greenland Note: water and OHs located at O20 and O21
Neues Jahrbuch fur Mineralogie, Monatshefte, 2004, 2004, 83-96
9012112 CIFCr Cu S2R 3 m :H3.4728; 3.4728; 18.616
90; 90; 120
194.436Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012113 CIFCr Cu S2R 3 m :H3.4812; 3.4812; 18.697
90; 90; 120
196.228Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012114 CIFAg Cr S2R 3 m :H3.4884; 3.4884; 20.414
90; 90; 120
215.135Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012115 CIFAg Cr S2R 3 m :H3.4974; 3.4974; 20.481
90; 90; 120
216.956Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012116 CIFAg Cr Se2R 3 m :H3.6898; 3.6898; 21.024
90; 90; 120
247.886Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012117 CIFAg Cr Se2R 3 m :H3.6809; 3.6809; 21.21
90; 90; 120
248.874Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Journal of Solid State Chemistry, 1973, 6, 574-582
9012133 CIFCr D O2R 3 m :H2.985; 2.985; 13.48
90; 90; 120
104.018Christensen, A. N.; Hansen, P.; Lehmann, M. S.
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic
Journal of Solid State Chemistry, 1977, 21, 325-329
9012135 CIFCr H O2R 3 m :H2.979; 2.979; 13.37
90; 90; 120
102.755Christensen, A. N.; Hansen, P.; Lehmann, M. S.
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K
Journal of Solid State Chemistry, 1977, 21, 325-329
9012186 CIFFe3 O7 PR 3 m :H8.006; 8.006; 6.863
90; 90; 120
380.957Modaressi, A.; Courtois, A.; Gerardin, R.; Malaman, B.; Gleitzer, C.
Fe3PO7, un cas de coordinence 5 du fer trivalent, etude structurale et magnetique Locality: synthetic
Journal of Solid State Chemistry, 1983, 47, 245-255
9012192 CIFS2 WR 3 m :H3.158; 3.158; 18.49
90; 90; 120
159.695Schutte, W. J.; de Boer, J. L.; Jellinek, F.
Crystal structures of tungsten disulfide and diselenide Sample: 3R polytype
Journal of Solid State Chemistry, 1987, 70, 207-209
9012658 CIFCa3.3 Ce0.33 Cl0.74 Fe2.1 H18.453 K0.3 La0.132 Mn1.398 Na9.627 Nb0.1 Nd0.036 O79.661 Si24.3 Sr0.504 Ti0.1 Zr3.4R 3 m :H14.167; 14.167; 30.081
90; 90; 120
5228.52Rastsvetaeva, R. K.; Chukanov, N. V.
Ikranite: composition and structure of a new mineral of the eudialyte group
Crystallography Reports, 2003, 48, 717-720
9012663 CIFC H6.82 Al0.08 Ca9.348 Ce0.102 Cl0.29 Fe2.19 K0.6 Mn0.3 Na10.44 Nb0.57 O78.53 Si24.66 Zr3R 3 m :H14.231; 14.231; 29.984
90; 90; 120
5258.85Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Verin, I. A.
Crystal structure of golyshevite
Crystallography Reports, 2005, 50, 539-543
9012669 CIFAl7.08 B3 Ca0.62 F0.84 Fe0.66 H2.28 Li0.99 Mg0.24 Na0.32 O30.15 Si6 Ti0.03R 3 m :H15.894; 15.894; 7.115
90; 90; 120
1556.58Rozhdestvenskaya, I. V.; Bronzova, Y. M.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Kuznetsova, L. G.; Bannova, I. I.
Refinement of the crystal structure of calcium-lithium-aluminum tourmaline from the pegmatite vein in the Sangilen Upland (Tuva Republic) Locality: Sangilen Upland, Tuva Republic
Crystallography Reports, 2008, 53, 223-227
9012747 CIFBa0.033 Ca6.333 Ce0.468 Cl1.6 Fe2.55 H7.38 K0.249 Mn1.188 Na12 Nb0.8 O81.18 Si25.2 Sr0.717 Ti0.06 Y0.132 Zr3.27R 3 m :H14.262; 14.262; 29.949
90; 90; 120
5275.62Ekimenkova, I. A.; Rastsvetaeva, R. K.; Khomyakov, A. P.
Crystal structure of the Fe,Cl-analogue of kentbrooksite
Doklady Chemistry, 2000, 370, 17-20
9012749 CIFCa3.3 Ce0.498 Cl0.26 Fe2.1 H14.43 K0.3 Mn1.398 Na9.63 Nb0.1 O79.16 Si24.3 Sr0.504 Ti0.1 Zr3.399R 3 m :H14.167; 14.167; 30.081
90; 90; 120
5228.52Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Khasanov, S. S.
Crystal structure of an oxonium-containing analogue of eudialyte
Doklady Chemistry, 2000, 371, 65-69
9012858 CIFBi2 Te3R 3 m :H4.417; 4.417; 29.84
90; 90; 120
504.178Atabaeva, E. Y.; Ickevich, E. S.; Mashkov, S. A.; Popova, S. V.; Vereshchagin, L. F.
The polymorphism of bismuth telluride under high pressures and temperatures
Fizika Tverdogo Tela, 1968, 10, 62-65
9013193 CIFAl5.28 B3 Ca0.29 F0.08 Fe1.449 H3.54 K0.01 Mg2.241 Mn0.021 Na0.64 O30.92 Si6 Ti0.009R 3 m :H15.9875; 15.9875; 7.2372
90; 90; 120
1602Bosi, F.
Disordering of Fe2+ over octahedrally coordinated sites of tourmaline
American Mineralogist, 2008, 93, 1647-1653
9013385 CIFAl8.001 B3.39 Ca0.09 Fe0.009 H6.6 Li0.9 Mn0.09 Na0.53 O31 Si5.61R 3 m :H15.777; 15.777; 7.086
90; 90; 120
1527.5Ertl, A.; Tillmanns, E.; Ntaflos, T.; Francis, C.; Giester, G.; Korner, W.; Hughes, J. M.; Lengauer, C.; Prem, M.
Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship to the pressure-temperature conditions of formation Note: O5 and O6 z-coordinates changed to match reported bond lengths
European Journal of Mineralogy, 2008, 20, 881-888
9013410 CIFS5 Zn5R 3 m :H3.83; 3.83; 46.87999
90; 90; 120
595.547Frondel, C.; Palache, C.
Three new polymorphs of zinc sulfide
Science, 1948, 107, 602-602
9013696 CIFH40 K1.56 Na4.32 O68 Si9 Ti12R 3 m :H10.921; 10.921; 13.885
90; 90; 120
1434.17Yakovenchuk, V. N.; Nikolaev, A. P.; Selivanova, E. A.; Pakhomovsky, Y. A.; Korchak, J. A.; Spiridonova, D. V.; Zalkind, O. A.; Krivovichev, S. V.
Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu: New microporous titanosilicates from the Khibiny massif (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T
American Mineralogist, 2009, 94, 1450-1458

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