Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016951 | CIF | As2.775 Cl O12 P0.036 Pb5 | P 63/m | 10.2382; 10.2382; 7.4502 90; 90; 120 | 676.31 | Okudera, H. Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite) American Mineralogist, 2013, 98, 1573-1579 |
| 9016952 | CIF | As2.775 Cl O12 P0.036 Pb5 | P 63/m | 10.2396; 10.2396; 7.4405 90; 90; 120 | 675.614 | Okudera, H. Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite) American Mineralogist, 2013, 98, 1573-1579 |
| 9016953 | CIF | As2.79 Ca5 H O13 P0.21 | P 63/m | 9.7199; 9.7221; 6.9651 90.077; 90.051; 119.944 | 570.327 | Biagioni, C.; Pasero, M. The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite American Mineralogist, 2013, 98, 1580-1584 |
| 9016954 | CIF | Ca3 O8 P2 | R -3 m :H | 5.2522; 5.2522; 18.69 90; 90; 120 | 446.501 | Thompson, R. M.; Xie, X.; Zhai, S.; Downs, R. T.; Yang, H. A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement of tuite synthesized at 15 GPa and 1300 deg C American Mineralogist, 2013, 98, 1585-1592 |
| 9016955 | CIF | Al8.34 B3 Cu1.26 H3 Na0.86 O31 Si5.4 | R 3 m :H | 15.84; 15.84; 7.091 90; 90; 120 | 1540.81 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I. Crystal chemistry of Cu-bearing tourmalines Note: Sample 1 American Mineralogist, 2013, 98, 1610-1616 |
| 9016956 | CIF | Al7.65 B3 Ca0.03 Cu0.348 F0.06 Fe0.03 H6 Li0.75 Mn0.18 Na0.9 O30.8 Si5.7 Zn0.342 | R 3 m :H | 15.881; 15.881; 7.112 90; 90; 120 | 1553.38 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I. Crystal chemistry of Cu-bearing tourmalines Note: Sample 2 American Mineralogist, 2013, 98, 1610-1616 |
| 9016957 | CIF | Al7.74 B3 Ca0.09 Cu0.18 F0.06 H3 Li1.08 Mn0.3 Na0.65 O30.82 Si5.7 | R 3 m :H | 15.84; 15.84; 7.1028 90; 90; 120 | 1543.37 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I. Crystal chemistry of Cu-bearing tourmalines Note: Sample 3 American Mineralogist, 2013, 98, 1610-1616 |
| 9016958 | CIF | Ca0.962 Cu0.971 Fe0.002 H2 Mg0.005 O6 Pb0.073 Te0.986 | P 1 21/n 1 | 8.1606; 5.3076; 11.4412 90; 101.549; 90 | 485.522 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rossman, G. R.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI. Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers American Mineralogist, 2013, 98, 1617-1623 |
| 9016959 | CIF | Al7.953 B3 F0.34 H3 Li1.047 Na0.561 O30.66 Si6 | R 3 m :H | 15.809; 15.809; 7.089 90; 90; 120 | 1534.35 | Novak, M.; Ertl, A.; Povondra, P.; Galiova, M. V.; Rossman, G. R.; Pristacz, H.; Prem, M.; Giester, G.; Gadas, P.; Skoda, R. Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup American Mineralogist, 2013, 98, 1886-1892 |
| 9016960 | CIF | Al3 H30 O28 P S2 | P -1 | 10.341; 10.96; 11.1446 86.985; 65.727; 75.064 | 1110.49 | Galli, E.; Brigatti, M. F.; Malferrari, D.; Sauro, F.; de Waele, J. Rossiantonite, Al3(PO4)(SO4)2(OH)2(H2O)10*4H2O, a new hydrated aluminum phosphate-sulfate mineral from Chimanta massif, Venezuela: Description and crystal structure American Mineralogist, 2013, 98, 1906-1913 |
| 9016961 | CIF | Ca0.5 O2 U0.5 | F m -3 m | 5.3647; 5.3647; 5.3647 90; 90; 90 | 154.396 | Galuskin, E. V.; Kusz, J.; Armbruster, T.; Galuskina, I. O.; Marzec, K.; Vapnik, Y.; Murashko, M. Vorlanite, (CaU6+)O4, from Jabel Harmun, Palestinian Autonomy, Israel American Mineralogist, 2013, 98, 1938-1942 |
| 9016962 | CIF | Al0.21 Fe2.79 H6 K O14 S2 | R -3 m :H | 7.2913; 7.2913; 17.1744 90; 90; 120 | 790.719 | Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J. Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 297 K American Mineralogist, 2013, 98, 1966-1971 |
| 9016963 | CIF | Al0.21 Fe2.79 H6 K O14 S2 | R -3 m :H | 7.2931; 7.2931; 17.1456 90; 90; 120 | 789.783 | Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J. Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 253 K American Mineralogist, 2013, 98, 1966-1971 |
| 9016964 | CIF | Al0.21 Fe2.79 H6 K O14 S2 | R -3 m :H | 7.2918; 7.2918; 17.1235 90; 90; 120 | 788.484 | Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J. Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 213 K American Mineralogist, 2013, 98, 1966-1971 |
| 9016965 | CIF | Al0.21 Fe2.79 H6 K O14 S2 | R -3 m :H | 7.2918; 7.2918; 17.1026 90; 90; 120 | 787.521 | Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J. Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 173 K American Mineralogist, 2013, 98, 1966-1971 |
| 9016966 | CIF | Al0.21 Fe2.79 H6 K O14 S2 | R -3 m :H | 7.2907; 7.2907; 17.09 90; 90; 120 | 786.704 | Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J. Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 133 K American Mineralogist, 2013, 98, 1966-1971 |
| 9016967 | CIF | Al2 Ca H9 O12.5 Si2 | P 1 21/c 1 | 10.0214; 10.5997; 9.8327 90; 92.363; 90 | 1043.58 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 25 C, Phase A, Path 1 American Mineralogist, 2013, 98, 1988-1997 |
| 9016968 | CIF | Al2 Ca H6 O11 Si2 | P 21 21 21 | 13.6801; 10.467; 13.8667 90; 90; 90 | 1985.57 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Phase B, Path 1 American Mineralogist, 2013, 98, 1988-1997 |
| 9016969 | CIF | Al4 Ca1.941 H8 O20 Si4 | P 21 21 21 | 13.9014; 8.9469; 13.9697 90; 90; 90 | 1737.47 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 150 C, Phase C, Path 1 American Mineralogist, 2013, 98, 1988-1997 |
| 9016970 | CIF | Al Ca0.44 H4.09 O6.045 Si | I 1 2/a 1 | 9.79; 10.437; 9.79 90; 90.97; 90 | 1000.18 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Path 2 American Mineralogist, 2013, 98, 1988-1997 |
| 9016971 | CIF | Al2 Ca0.946 H2 O9 Si2 | I 1 2/a 1 | 9.434; 9.044; 9.695 90; 89.04; 90 | 827.072 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 225 C, Path 2 American Mineralogist, 2013, 98, 1988-1997 |
| 9016972 | CIF | Al Ca0.5 O4 Si | C -1 | 8.152; 12.917; 7.126 93.26; 116.37; 88.72 | 671.192 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 350 C, Path 2, synthesised from gismondine American Mineralogist, 2013, 98, 1988-1997 |
| 9016973 | CIF | Al3.735 H31.134 K Mg0.222 Na2.484 O51.567 Si14.265 | P 63/m m c | 13.23574; 13.23574; 15.06516 90; 90; 120 | 2285.6 | Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P. New morphological, chemical, and structural data of woolly erionite-Na from Durkee, Oregon, U.S.A. American Mineralogist, 2013, 98, 2155-2163 |
| 9016974 | CIF | C2 H4.27 Ca O6.135 | I 4/m | 12.3363; 12.3363; 7.3448 90; 90; 90 | 1117.76 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 1 American Mineralogist, 2014, 99, 2-7 |
| 9016975 | CIF | C2 H4.4 Ca O6.2 | I 4/m | 12.3543; 12.3543; 7.3547 90; 90; 90 | 1122.54 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 2 American Mineralogist, 2014, 99, 2-7 |
| 9016976 | CIF | C2 H4.38 Ca O6.19 | I 4/m | 12.3462; 12.3462; 7.3535 90; 90; 90 | 1120.88 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 3 American Mineralogist, 2014, 99, 2-7 |
| 9016977 | CIF | C2 H4.39 Ca O6.195 | I 4/m | 12.353; 12.353; 7.3594 90; 90; 90 | 1123.02 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 4 American Mineralogist, 2014, 99, 2-7 |
| 9016978 | CIF | C2 H4.4 Ca O6.2 | I 4/m | 12.3528; 12.3528; 7.3569 90; 90; 90 | 1122.6 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 5 American Mineralogist, 2014, 99, 2-7 |
| 9016979 | CIF | C2 H4.39 Ca O6.195 | I 4/m | 12.3542; 12.3542; 7.3604 90; 90; 90 | 1123.39 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 6 American Mineralogist, 2014, 99, 2-7 |
| 9016980 | CIF | C2 H4.47 Ca O6.235 | I 4/m | 12.3565; 12.3565; 7.3592 90; 90; 90 | 1123.62 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 7 American Mineralogist, 2014, 99, 2-7 |
| 9016981 | CIF | C2 H4.43 Ca O6.215 | I 4/m | 12.3443; 12.3443; 7.3599 90; 90; 90 | 1121.51 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 8 American Mineralogist, 2014, 99, 2-7 |
| 9016982 | CIF | C2 H4.46 Ca O6.23 | I 4/m | 12.3573; 12.3573; 7.3587 90; 90; 90 | 1123.69 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 9 American Mineralogist, 2014, 99, 2-7 |
| 9016983 | CIF | C2 H4.39 Ca O6.195 | I 4/m | 12.3558; 12.3558; 7.3601 90; 90; 90 | 1123.64 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 10 American Mineralogist, 2014, 99, 2-7 |
| 9016984 | CIF | C2 H4.52 Ca O6.26 | I 4/m | 12.3576; 12.3576; 7.3578 90; 90; 90 | 1123.61 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 11 American Mineralogist, 2014, 99, 2-7 |
| 9016985 | CIF | C2 H4.51 Ca O6.255 | I 4/m | 12.3567; 12.3567; 7.3573 90; 90; 90 | 1123.37 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 12 American Mineralogist, 2014, 99, 2-7 |
| 9016986 | CIF | C2 H4.52 Ca O6.26 | I 4/m | 12.3622; 12.3622; 7.3603 90; 90; 90 | 1124.83 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 13 American Mineralogist, 2014, 99, 2-7 |
| 9016987 | CIF | C2 H4.54 Ca O6.27 | I 4/m | 12.363; 12.363; 7.346 90; 90; 90 | 1122.79 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 14 American Mineralogist, 2014, 99, 2-7 |
| 9016988 | CIF | C2 H4.55 Ca O6.275 | I 4/m | 12.362; 12.362; 7.3574 90; 90; 90 | 1124.35 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 15 American Mineralogist, 2014, 99, 2-7 |
| 9016989 | CIF | C2 H4.58 Ca O6.29 | I 4/m | 12.3627; 12.3627; 7.3574 90; 90; 90 | 1124.48 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 16 American Mineralogist, 2014, 99, 2-7 |
| 9016990 | CIF | C2 H4.69 Ca O6.345 | I 4/m | 12.3783; 12.3783; 7.3659 90; 90; 90 | 1128.62 | Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 17 American Mineralogist, 2014, 99, 2-7 |
| 9016991 | CIF | Mg2 O4 Si | P b n m | 4.5232; 9.274; 5.5467 90; 90; 90 | 232.674 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 45.3 GPa American Mineralogist, 2014, 99, 35-43 |
| 9016992 | CIF | Mg2 O4 Si | P 1 | 4.695; 9.201; 5.311 93.1; 107.264; 98.133 | 215.766 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 52.4 GPa American Mineralogist, 2014, 99, 35-43 |
| 9016993 | CIF | Mg2 O4 Si | C m c 21 | 2.64; 8.596; 9.04 90; 90; 90 | 205.149 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
| 9016994 | CIF | Mg2 O4 Si | C m c 21 | 2.591; 8.726; 8.794 90; 90; 90 | 198.824 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
| 9016995 | CIF | Al3.544 Ca1.303 Ce2.697 Fe0.456 H2 O22 Si5 | P 1 21/m 1 | 8.9277; 5.6548; 17.587 90; 116.475; 90 | 794.757 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_11 American Mineralogist, 2014, 99, 157-169 |
| 9016996 | CIF | Al3.433 Ca1.225 Ce2.775 Fe0.567 H2 O22 Si5 | P 1 21/m 1 | 8.931; 5.6574; 17.6 90; 116.517; 90 | 795.713 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_09 American Mineralogist, 2014, 99, 157-169 |
| 9016997 | CIF | Al3.476 Ca1.211 Ce2.789 Fe0.524 H2 O22 Si5 | P 1 21/m 1 | 8.9205; 5.6573; 17.5715 90; 116.5; 90 | 793.594 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST3_01 American Mineralogist, 2014, 99, 157-169 |
| 9016998 | CIF | Al3.395 Ca1.21 Ce2.79 Fe0.605 H2 O22 Si5 | P 1 21/m 1 | 8.9546; 5.6675; 17.652 90; 116.677; 90 | 800.482 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: NE_01 American Mineralogist, 2014, 99, 157-169 |
| 9016999 | CIF | Al3.418 Ca1.146 Ce2.854 Fe0.582 H2 O22 Si5 | P 1 21/m 1 | 8.9222; 5.665; 17.569 90; 116.47; 90 | 794.92 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_10 American Mineralogist, 2014, 99, 157-169 |
| 9017000 | CIF | Al3.374 Ca1.108 Ce2.892 Fe0.626 H2 O22 Si5 | P 1 21/m 1 | 8.9165; 5.6754; 17.5253 90; 116.321; 90 | 794.916 | Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O. Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_02 American Mineralogist, 2014, 99, 157-169 |
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