Crystallography Open Database

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9002474 CIFCa O5 Si TiA 1 2/a 16.9929; 8.685; 6.5059
90; 113.508; 90		362.331Kunz, M.; Arlt, T.; Stolz, J.
In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #040 at P = 2.51 GPa, T = 523 K
American Mineralogist, 2000, 85, 1465-1473
9002475 CIFCa O5 Si TiA 1 2/a 16.995; 8.6858; 6.5068
90; 113.516; 90		362.502Kunz, M.; Arlt, T.; Stolz, J.
In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #041 at P = 2.39 GPa, T = 481 K
American Mineralogist, 2000, 85, 1465-1473
9002892 CIFCa O5 Si SnA 1 2/a 17.1523; 8.8902; 6.6677
90; 113.362; 90		389.21Rath, S.; Kunz, M.; Miletich, R.
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 0.0 GPa
American Mineralogist, 2003, 88, 293-300
9002893 CIFCa O5 Si SnA 1 2/a 17.056; 8.8436; 6.5629
90; 112.948; 90		377.117Rath, S.; Kunz, M.; Miletich, R.
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.238 GPa
American Mineralogist, 2003, 88, 293-300
9002894 CIFCa O5 Si SnA 1 2/a 17.0498; 8.8402; 6.5573
90; 112.925; 90		376.384Rath, S.; Kunz, M.; Miletich, R.
Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 4.505 GPa
American Mineralogist, 2003, 88, 293-300
9003665 CIFCa Ge O5 Ti0.807 Zr0.192A 1 2/a 17.1749; 8.93321; 6.67312
90; 113.6; 90		391.94Ellemann-Olesen R; Malcherek, T.
Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti80, hi-T titanite structure
American Mineralogist, 2005, 90, 687-694
9003666 CIFCa Ge O5 Ti0.507 Zr0.492A 1 2/a 17.25821; 9.01791; 6.722
90; 113.351; 90		403.944Ellemann-Olesen R; Malcherek, T.
Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti50, hi-T titanite structure
American Mineralogist, 2005, 90, 687-694
9004920 CIFCa O5 Si Ti0.76 Zr0.24A 1 2/a 17.1136; 8.7724; 6.5987
90; 113.581; 90		377.395Liferovich, R. P.; Mitchell, R. H.
Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues
The Canadian Mineralogist, 2005, 43, 795-812
9004921 CIFCa0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15A 1 2/a 17.1276; 8.7541; 6.6031
90; 113.847; 90		376.832Liferovich, R. P.; Mitchell, R. H.
Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues
The Canadian Mineralogist, 2005, 43, 795-812
9005081 CIFAl0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714A 1 2/a 17.049; 8.653; 6.527
90; 114.12; 90		363.356Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.
The crystal-chemistry of high-aluminium titanites Sample: D167 Note: y-coord of Ca altered to reproduce published bond lengths
European Journal of Mineralogy, 1991, 3, 777-792
9005082 CIFAl0.322 Ca0.984 Fe0.014 O5 Si Ti0.661A 1 2/a 17.045; 8.647; 6.522
90; 114.21; 90		362.364Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.
The crystal-chemistry of high-aluminium titanites Sample: K52
European Journal of Mineralogy, 1991, 3, 777-792
9005083 CIFAl0.349 Ca0.986 Fe0.023 O5 Si Ti0.605A 1 2/a 17.043; 8.637; 6.514
90; 114.25; 90		361.285Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.
The crystal-chemistry of high-aluminium titanites Sample: TK22
European Journal of Mineralogy, 1991, 3, 777-792
9005084 CIFAl0.363 Ca Fe0.013 O5 Si0.988 Ti0.636A 1 2/a 17.038; 8.635; 6.514
90; 114.24; 90		360.973Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.
The crystal-chemistry of high-aluminium titanites Sample: HEL697
European Journal of Mineralogy, 1991, 3, 777-792
9005414 CIFAl0.099 Ca F0.099 O4.901 Si Ti0.901A 1 2/a 17.0541; 8.6925; 6.5445
90; 113.903; 90		366.876Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF09
European Journal of Mineralogy, 1999, 11, 955-965
9005415 CIFAl0.182 Ca F0.182 O4.818 Si Ti0.818A 1 2/a 17.0511; 8.6722; 6.5325
90; 114.026; 90		364.845Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF18
European Journal of Mineralogy, 1999, 11, 955-965
9005416 CIFAl0.291 Ca F0.291 O4.709 Si Ti0.709A 1 2/a 17.0462; 8.6529; 6.5231
90; 114.143; 90		362.925Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF29
European Journal of Mineralogy, 1999, 11, 955-965
9005417 CIFAl0.372 Ca F0.372 O4.628 Si Ti0.628A 1 2/a 17.0368; 8.636; 6.5135
90; 114.232; 90		360.948Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF37
European Journal of Mineralogy, 1999, 11, 955-965
9005418 CIFAl0.489 Ca F0.489 O4.511 Si Ti0.511A 1 2/a 17.0229; 8.613; 6.5023
90; 114.344; 90		358.342Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF49
European Journal of Mineralogy, 1999, 11, 955-965
9005419 CIFAl0.672 Ca F0.672 O4.328 Si Ti0.328A 1 2/a 16.9904; 8.5759; 6.4798
90; 114.48; 90		353.537Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF67
European Journal of Mineralogy, 1999, 11, 955-965
9005420 CIFAl0.819 Ca F0.819 O4.181 Si Ti0.181A 1 2/a 16.958; 8.5445; 6.4612
90; 114.585; 90		349.312Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF82
European Journal of Mineralogy, 1999, 11, 955-965
9005421 CIFAl Ca F O4 SiA 1 2/a 16.9157; 8.5076; 6.4391
90; 114.683; 90		344.236Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J
Crystal structural changes in titanite along the join TiO-AlF Sample: AlF100
European Journal of Mineralogy, 1999, 11, 955-965
9005927 CIFCa O5 Si TiA 1 2/a 17.0719; 8.7464; 6.5783
90; 113.751; 90		372.43Ghose, S.; Ito, Y.; Hatch, D. M.
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 500 K
Physics and Chemistry of Minerals, 1991, 17, 591-603
9005928 CIFCa O5 Si TiA 1 2/a 17.073; 8.7508; 6.5824
90; 113.729; 90		372.971Ghose, S.; Ito, Y.; Hatch, D. M.
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 600 K
Physics and Chemistry of Minerals, 1991, 17, 591-603
9005929 CIFCa O5 Si TiA 1 2/a 17.0726; 8.7558; 6.5859
90; 113.699; 90		373.447Ghose, S.; Ito, Y.; Hatch, D. M.
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 700 K
Physics and Chemistry of Minerals, 1991, 17, 591-603
9006651 CIFCa O5 Si SnA 1 2/a 17.156; 8.875; 6.66
90; 113.38; 90		388.244Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 300 K
Physics and Chemistry of Minerals, 1999, 26, 546-553
9006652 CIFCa O5 Si SnA 1 2/a 17.16; 8.897; 6.672
90; 113.34; 90		390.244Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 450 K
Physics and Chemistry of Minerals, 1999, 26, 546-553
9006653 CIFCa O5 Si SnA 1 2/a 17.166; 8.903; 6.678
90; 113.39; 90		391.038Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 550 K Note: U33 for O1 has been altered by personal communication with authors, Dec 2003
Physics and Chemistry of Minerals, 1999, 26, 546-553
9006654 CIFCa O5 Si SnA 1 2/a 17.173; 8.901; 6.683
90; 113.36; 90		391.714Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 670 K
Physics and Chemistry of Minerals, 1999, 26, 546-553
9006655 CIFCa O5 Si SnA 1 2/a 17.167; 8.912; 6.688
90; 113.36; 90		392.163Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 730 K Note: x-coordinate of O1 altered from the value reported
Physics and Chemistry of Minerals, 1999, 26, 546-553
9007340 CIFCa O5 Si Ti0.9 Zr0.1A 1 2/a 17.0788; 8.7378; 6.5754
90; 113.709; 90		372.383Liferovich, R. P.; Mitchell, R. H.
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1
Physics and Chemistry of Minerals, 2005, 32, 40-51
9007341 CIFCa O5 Si Ti0.81 Zr0.19A 1 2/a 17.0992; 8.758; 6.5894
90; 113.635; 90		375.329Liferovich, R. P.; Mitchell, R. H.
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2
Physics and Chemistry of Minerals, 2005, 32, 40-51
9007342 CIFCa O5 Si Ti0.71 Zr0.29A 1 2/a 17.1252; 8.7826; 6.6057
90; 113.553; 90		378.933Liferovich, R. P.; Mitchell, R. H.
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3
Physics and Chemistry of Minerals, 2005, 32, 40-51
9007343 CIFCa O5 Si Ti0.62 Zr0.38A 1 2/a 17.1481; 8.8011; 6.6171
90; 113.477; 90		381.829Liferovich, R. P.; Mitchell, R. H.
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4
Physics and Chemistry of Minerals, 2005, 32, 40-51
9007344 CIFCa O5 Si Ti0.51 Zr0.49A 1 2/a 17.1824; 8.8281; 6.6337
90; 113.369; 90		386.119Liferovich, R. P.; Mitchell, R. H.
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5
Physics and Chemistry of Minerals, 2005, 32, 40-51
9007414 CIFCa0.9 Na0.1 O5 Si Ta0.1 Ti0.9A 1 2/a 17.0826; 8.7156; 6.5767
90; 113.911; 90		371.132Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007415 CIFCa0.8 Na0.2 O5 Si Ta0.2 Ti0.8A 1 2/a 17.1122; 8.7166; 6.5962
90; 114.078; 90		373.346Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007416 CIFAl0.1 Ca O5 Si Ta0.1 Ti0.8A 1 2/a 17.0547; 8.7121; 6.5629
90; 113.75; 90		369.204Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007417 CIFAl0.2 Ca O5 Si Ta0.2 Ti0.6A 1 2/a 17.061; 8.7162; 6.5697
90; 113.742; 90		370.113Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007418 CIFAl0.3 Ca O5 Si Ta0.3 Ti0.4A 1 2/a 17.0699; 8.722; 6.5776
90; 113.744; 90		371.266Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3
Physics and Chemistry of Minerals, 2006, 33, 73-83
9008071 CIFHg S8 Sb4A 1 2/a 130.25; 4; 21.48
90; 104.2; 90		2519.67Niizeki, N.; Buerger, M. J.
The crystal structure of livingstonite, HgSb4S8
Zeitschrift fur Kristallographie, 1957, 109, 129-157
9008247 CIFHg S8 Sb4A 1 2/a 130.567; 4.015; 21.465
90; 103.39; 90		2562.71Srikrishnan, T.; Nowacki, W.
A redetermination of the crystal structure of livingstonite, HgSb4S8
Zeitschrift fur Kristallographie, 1975, 141, 174-192
9008437 CIFCa6 O19 Si6A 1 2/a 117.032; 7.363; 14.023
90; 90.36; 90		1758.54Hejny, C.; Armbruster, T.
Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
Zeitschrift fur Kristallographie, 2001, 216, 396-408
9009231 CIFAl2.364 Ca Fe9.14 H58 K0.567 Mg0.28 Mn11.06 O104.33 Si29.636 Zn0.14A 1 2/a 122.286; 16.386; 24.575
90; 94.355; 90		8948.35Heaney, P. J.; Post, J. E.; Evans, H. T.
The crystal structure of bannisterite
Clays and Clay Minerals, 1992, 40, 129-144
9009232 CIFAl2.352 Ca Fe2.9 H58 K0.76 Mg2.86 Mn12.44 O103.69 Si29.648 Zn2.02A 1 2/a 122.265; 16.368; 24.668
90; 94.285; 90		8964.72Heaney, P. J.; Post, J. E.; Evans, H. T.
The crystal structure of bannisterite
Clays and Clay Minerals, 1992, 40, 129-144
9009932 CIFAg As S2A 1 2/a 117.23; 7.78; 15.19
90; 101.2; 90		1997.43Hellner, E.; Burzlaff, H.
Die struktur des smithits AgAsS2
Naturwissenschaften, 1964, 51, 35-36
9010577 CIFCa0.9 Na0.1 Nb0.1 O5 Si Ti0.9A 1 2/a 17.0815; 8.7175; 6.575
90; 113.853; 90		371.225Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: NaNb1
The Canadian Mineralogist, 2006, 44, 1089-1097
9010578 CIFCa0.8 Na0.2 Nb0.2 O5 Si Ti0.8A 1 2/a 17.0952; 8.7172; 6.5824
90; 113.982; 90		371.978Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: NaNb2
The Canadian Mineralogist, 2006, 44, 1089-1097
9010579 CIFAl0.1 Ca Nb0.1 O5 Si Ti0.8A 1 2/a 17.0571; 8.7169; 6.563
90; 113.756; 90		369.521Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: AlNb1
The Canadian Mineralogist, 2006, 44, 1089-1097
9010580 CIFAl0.2 Ca Nb0.2 O5 Si Ti0.6A 1 2/a 17.0594; 8.7188; 6.5651
90; 113.747; 90		369.866Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: AlNb2
The Canadian Mineralogist, 2006, 44, 1089-1097
9011072 CIFC6 D6 Fe K4 N6 O3A 1 2/a 19.415; 17.006; 9.382
90; 90.03; 90		1502.17Taylor, J. C.; Mueller, M. H.; Hitterman, R. L.
A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the Curie temperature Locality: synthetic
Acta Crystallographica, Section A, 1970, 26, 559-567
9011224 CIFC2 H10 Mg0.773 Mn3.684 O16 Zn2.543A 1 2/a 116.408; 5.54; 15.15
90; 95.48; 90		1370.85Hill, R. J.
The structure of loseyite Note: AnisoU's from ICSD
Acta Crystallographica, Section B, 1981, 37, 1323-1328
9012507 CIFAs Mg0.92 Mn4.08 O12 Sb SiA 1 2/a 110.048; 19.418; 9.735
90; 95.83; 90		1889.59Marsh, R. E.; Schomaker, V.
Some incorrect space groups in Inorganic Chemistry, Volume 16
Inorganic Chemistry, 1979, 18, 2331-2336
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
9016514 CIFH1.68 Na O7.34 Si2 TiA 1 2/a 15.219; 8.691; 25.01
90; 104.43; 90		1098.62Rastsvetaeva, R. K.; Andrianov, V. I.
Refined crystal structure of vinogradovite
Soviet Physics Crystallography, 1984, 29, 403-406
9017827 CIFNa2 O13 Si4 Ti2A 1 2/a 15.35; 8.56; 24.22
90; 101; 90		1088.8Rastsvetaeva, R. K.; Simonov, V. I.; Belov, N. V.
Crystal structure of vinogradovite Na4Ti4[Si2O6]2[Si4O10]O4*nH2O
Soviet Physics Doklady, 1968, 12, 1090-1092
9017849 CIFHg S8 Sb4A 1 2/a 130.1543; 3.9953; 21.4262
90; 104.265; 90		2501.74Borisov, S. V.; Perukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Vasil'ev, V. I.
Crystallographic analysis of the structure of livingstonite HgSb4S8 from refined data
Crystallography Reports, 2010, 55, 224-228

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