Crystallography Open Database
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Searching space group like 'P 1 21/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9002437 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0494; 8.7102; 6.5484 90; 113.742; 90 | 368.054 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #003 at P = 0.71 GPa, T = 483 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002438 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0442; 8.7132; 6.5476 90; 113.705; 90 | 367.968 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #004 at P = 1.21 GPa, T = 670 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002439 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0391; 8.71; 6.5433 90; 113.686; 90 | 367.379 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #005 at P = 1.26 GPa, T = 648 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002440 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0411; 8.7106; 6.5441 90; 113.682; 90 | 367.565 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #006 at P = 1.23 GPa, T = 628 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002442 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0187; 8.6965; 6.5243 90; 113.594; 90 | 364.941 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #008 at P = 1.69 GPa, T = 518 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002443 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0186; 8.6983; 6.5272 90; 113.617; 90 | 365.109 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #009 at P = 1.77 GPa, T = 555 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002451 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.982; 8.6748; 6.4924 90; 113.498; 90 | 360.619 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #017 at P = 2.66 GPa, T = 303 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002476 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9982; 8.6853; 6.5079 90; 113.523; 90 | 362.689 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #042 at P = 2.25 GPa, T = 440 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002477 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.999; 8.686; 6.5073 90; 113.521; 90 | 362.731 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #043 at P = 2.16 GPa, T = 399 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002478 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9984; 8.6846; 6.5063 90; 113.521; 90 | 362.586 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #044 at P = 2.05 GPa, T = 354 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002479 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0014; 8.6869; 6.5081 90; 113.533; 90 | 362.905 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #045 at P = 1.88 GPa, T = 301 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002638 | CIF | H8 K2 Mg O12 S2 | P 1 21/a 1 | 11.778; 9.469; 9.851 90; 95.26; 90 | 1094.02 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002641 | CIF | H8 K2 Mn O12 S2 | P 1 21/a 1 | 12.031; 9.531; 9.902 90; 95.02; 90 | 1131.08 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002644 | CIF | Fe H8 K2 O12 S2 | P 1 21/a 1 | 11.834; 9.502; 9.913 90; 94.87; 90 | 1110.66 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002662 | CIF | Ca0.64 H2 Mg0.04 Mn6.28 O14 Si3 Zn0.04 | P 1 21/a 1 | 10.8259; 4.8565; 11.3758 90; 103.956; 90 | 580.439 | Welch, M. D.; Marshall, W. G.; Ross, N. L.; Knight, K. S. H positions in leucophoenicite, Mn7Si3(OH)2: A close relative of the hydrous B phases American Mineralogist, 2002, 87, 154-159 |
| 9002886 | CIF | Al3.11 Ca1.11 Ce2.89 Fe0.35 H2 Mg0.54 O22 Si5 | P 1 21/a 1 | 17.77; 5.651; 17.458 90; 116.18; 90 | 1573.26 | Bonazzi, P.; Bindi, L.; Parodi, G. C. Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: Crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce) American Mineralogist, 2003, 88, 223-228 |
| 9003066 | CIF | Ca O6 Ti2 | P 1 21/a 1 | 5.275; 9.009; 9.557 90; 90.43; 90 | 454.16 | Grey, I. E.; Mumme, W. G.; Pekov, I. V.; Pushcharovsky, D. Y. The crystal structure of chromian kassite from the Saranovskoye deposit, Northern Urals, Russia American Mineralogist, 2003, 88, 1331-1335 |
| 9003083 | CIF | C D K O3 | P 1 21/a 1 | 15.192; 5.629; 3.7067 90; 104.538; 90 | 306.832 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003084 | CIF | C D K O3 | P 1 21/a 1 | 15.103; 5.6152; 3.6963 90; 104.19; 90 | 303.905 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0.2 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003085 | CIF | C D K O3 | P 1 21/a 1 | 14.746; 5.555; 3.6452 90; 102.87; 90 | 291.092 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 1.8 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003086 | CIF | C D K O3 | P 1 21/a 1 | 14.481; 5.51; 3.616 90; 101.94; 90 | 282.28 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003087 | CIF | C D K O3 | P 1 21/a 1 | 14.379; 5.494; 3.609 90; 101.64; 90 | 279.241 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.5 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003449 | CIF | As0.975 S3 Sb1.025 | P 1 21/a 1 | 11.949; 9.028; 10.13 90; 116.15; 90 | 980.926 | Kyono, A.; Kimata, M. Structural reinvestigation of getchellite As0.98Sb1.02S3.00 American Mineralogist, 2004, 89, 696-700 |
| 9003663 | CIF | Ca Ge O5 Ti0.954 Zr0.046 | P 1 21/a 1 | 7.15; 8.89941; 6.65482 90; 113.73; 90 | 387.649 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti95, titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003664 | CIF | Ca Ge O5 Ti0.908 Zr0.091 | P 1 21/a 1 | 7.15461; 8.90612; 6.65901 90; 113.701; 90 | 388.523 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003762 | CIF | Ca Ge O5 Ti | P 1 21/a 1 | 7.158; 8.885; 6.649 90; 113.834; 90 | 386.806 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003763 | CIF | Ca Ge0.901 O5 Si0.098 Ti | P 1 21/a 1 | 7.14287; 8.8782; 6.64268 90; 113.833; 90 | 385.33 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003764 | CIF | Ca Ge0.871 O5 Si0.128 Ti | P 1 21/a 1 | 7.1346; 8.87346; 6.63886 90; 113.738; 90 | 384.738 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003765 | CIF | Ca Ge0.678 O5 Si0.321 Ti | P 1 21/a 1 | 7.11815; 8.83215; 6.61777 90; 113.767; 90 | 380.765 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003766 | CIF | Ca Ge0.49 O5 Si0.51 Ti | P 1 21/a 1 | 7.09534; 8.79173; 6.5962 90; 113.757; 90 | 376.606 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003767 | CIF | Ca Ge0.336 O5 Si0.663 Ti | P 1 21/a 1 | 7.09137; 8.78567; 6.59344 90; 113.766; 90 | 375.952 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003768 | CIF | Ca Ge0.2 O5 Si0.799 Ti | P 1 21/a 1 | 7.07182; 8.74371; 6.57304 90; 113.782; 90 | 371.925 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003769 | CIF | Ca Ge0.096 O5 Si0.903 Ti | P 1 21/a 1 | 7.06582; 8.73056; 6.56626 90; 113.782; 90 | 370.668 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #10, CaTiO(Ge.10Si.90)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003814 | CIF | C2 H2 O12 Pb4 S | P 1 21/a 1 | 9.104; 20.792; 11.577 90; 90.5; 90 | 2191.33 | Bindi, L.; Menchetti, S. Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C American Mineralogist, 2005, 90, 1641-1647 |
| 9004183 | CIF | H8 Mg Na2 O12 S2 | P 1 21/a 1 | 11.126; 8.242; 5.539 90; 100.84; 90 | 498.866 | Hawthorne, F. C. Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals The Canadian Mineralogist, 1985, 23, 669-674 |
| 9004262 | CIF | B3 Ca0.94 H5 O8 | P 1 21/a 1 | 8.712; 11.247; 6.091 90; 110.12; 90 | 560.398 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in colemanite: An X-ray and structure-energy study The Canadian Mineralogist, 1993, 31, 297-304 |
| 9004343 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.415; 8.213; 9.951 90; 114.05; 90 | 1075.83 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in tunellite The Canadian Mineralogist, 1994, 32, 895-902 |
| 9004386 | CIF | Ca2 F2 Lu Na O7 Si2 | P 1 21/a 1 | 11.024; 10.303; 7.391 90; 109.4; 90 | 791.809 | Fleet, M. E.; Pan, Y. The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group The Canadian Mineralogist, 1995, 33, 879-884 |
| 9004557 | CIF | Ca0.83 F Mn Na1.17 O8 Si2 Ti0.612 Zr0.388 | P 1 21/a 1 | 10.798; 9.835; 7.09 90; 108.08; 90 | 715.769 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
| 9004558 | CIF | Ca0.936 F Mn0.784 Na1.28 Nb0.124 O8 Si2 Ti0.876 | P 1 21/a 1 | 10.799; 9.801; 7.054 90; 108.075; 90 | 709.758 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
| 9004608 | CIF | Be F0.08 Fe0.226 H0.92 Mn0.774 O4.92 P0.988 | P 1 21/a 1 | 5.4044; 14.5145; 4.7052 90; 102.798; 90 | 359.917 | Huminicki, D. M. C.; Hawthorne, F. C. Refinement of the crystal structure of vayrynenite The Canadian Mineralogist, 2000, 38, 1425-1432 |
| 9004925 | CIF | B14 Ca H16 O31 Sr | P 1 21/a 1 | 12.8171; 14.4576; 12.8008 90; 101.327; 90 | 2325.84 | Grice, J. D. Strontioginorite: crystal-structure analysis and hydrogen bonding Sample: Penobsquis, Kings County, New Brunswick, Canada The Canadian Mineralogist, 2005, 43, 1019-1026 |
| 9004926 | CIF | Ca0.903 Fe2.497 H Mn0.6 O9 Si2 | P 1 21/a 1 | 13.025; 8.8514; 5.8486 90; 90.167; 90 | 674.279 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: powder X-ray + neutron analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
| 9004927 | CIF | Ca Fe2.44 H Mn0.56 O9 Si2 | P 1 21/a 1 | 13.015; 8.843; 5.8396 90; 90.11; 90 | 672.088 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
| 9004961 | CIF | C Ca5 O11 Si2 | P 1 21/a 1 | 10.484; 6.712; 14.156 90; 101.27; 90 | 976.93 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
| 9004962 | CIF | C2 Ca5 O13 Si2 | P 1 21/a 1 | 15.082; 10.236; 7.572 90; 105.17; 90 | 1128.23 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
| 9005035 | CIF | Ca F2 Na2 O7 Si2 Zr | P 1 21/a 1 | 10.1173; 10.4446; 7.2555 90; 90.039; 90 | 766.697 | Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I. Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character European Journal of Mineralogy, 1990, 2, 177-185 |
| 9005080 | CIF | Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 | P 1 21/a 1 | 7.057; 8.707; 6.555 90; 113.81; 90 | 368.494 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005191 | CIF | Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 | P 1 21/a 1 | 13.006; 8.808; 5.858 90; 90.31; 90 | 671.064 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-2 European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005192 | CIF | Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 | P 1 21/a 1 | 13.014; 8.811; 5.852 90; 90.07; 90 | 671.027 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-3 European Journal of Mineralogy, 1994, 6, 465-479 |
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