Crystallography Open Database

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Searching volume of publication is 100

COD ID: 1000110
CIF file Formula: - Al F3 -
Comments: Le Bail, A; Fourquet, J L; Bentrup, U t-AlF~3~: crystal structure determination from X-ray powder diffraction data. A new MX~3~ corner-sharing octahedra 3D network Journal of Solid State Chemistry 100 (1992) 151-159
Space group: P 4/n m m :2
Cell volume: 744.1
Cell parameters: 10.1843; 10.1843; 7.1738; 90; 90; 90;  

COD ID: 1001513
CIF file Formula: - La Ni O3.43 Sr -
Comments: Crespin, M; Landron, C; Odier, P; Bassat, J M; Mouron, P; Choisnet, J Evidence for nickel-(I)-rich mixed oxide with a defect K~2~NiF~4~ type structure Journal of Solid State Chemistry 100 (1992) 281-291
Space group: I m m m
Cell volume: 182.3
Cell parameters: 3.8666; 3.7281; 12.644; 90; 90; 90;  

COD ID: 1001514
CIF file Formula: - La Ni O3.09 Sr -
Comments: Crespin, M; Landron, C; Odier, P; Bassat, J M; Mouron, P; Choisnet, J Evidence for nickel-(I)-rich mixed oxide with a defect K~2~NiF~4~ type structure Journal of Solid State Chemistry 100 (1992) 281-291
Space group: I m m m
Cell volume: 176.8
Cell parameters: 3.853; 3.566; 12.869; 90; 90; 90;  

COD ID: 1005007
CIF file Formula: - Fe1.25 Ta Te3 -
Comments: Badding, M E; Li, J; DiSalvo, F J; Zhou, W; Edwards, P P Characterization of TaFe~1.25~Te~3~, a new layered telluride with an unusual metal network structure Journal of Solid State Chemistry 100 (1992) 313-324
Space group: P 1 21/m 1
Cell volume: 255.7
Cell parameters: 7.436; 3.638; 10.008; 90; 109.17; 90;  

COD ID: 1005013
CIF file Formula: - Ca3 N3 V -
Comments: Vennos, D A; DiSalvo, F J Synthesis and characterization of a new ternary nitride, Ca~3~VN~3~ Journal of Solid State Chemistry 100 (1992) 401-401
Space group: C m c m
Cell volume: 449.1
Cell parameters: 8.544; 10.38; 5.064; 90; 90; 90;  

COD ID: 1006051
CIF file Formula: - Ba Cu Dy2 O5 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 494.1
Cell parameters: 12.2061; 5.6732; 7.1355; 90; 90; 90;  

COD ID: 1006052
CIF file Formula: - Ba Cu Ho2 O5 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 492.1
Cell parameters: 12.1825; 5.663; 7.1336; 90; 90; 90;  

COD ID: 1006053
CIF file Formula: - Ba Cu O5 Y2 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 491.6
Cell parameters: 12.1792; 5.659; 7.1325; 90; 90; 90;  

COD ID: 1006054
CIF file Formula: - Ba Cu Er2 O5 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 487.2
Cell parameters: 12.1423; 5.6459; 7.1072; 90; 90; 90;  

COD ID: 1006055
CIF file Formula: - Ba Cu O5 Tm2 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 482.1
Cell parameters: 12.1011; 5.6275; 7.0793; 90; 90; 90;  

COD ID: 1006056
CIF file Formula: - Ba Cu O5 Yb2 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 478.1
Cell parameters: 12.0652; 5.6152; 7.0569; 90; 90; 90;  

COD ID: 1006057
CIF file Formula: - Ba Cu Lu2 O5 -
Comments: Salinas-Sanchez, A; Garcia-Munoz, J L; Rodriguez-Carvajal, J; Saez-Puche, R; Martinez, J L Structural characterization of R~2~BaCuO~5~ (R=Y,Lu,Yb,Tm,Er,Ho,Dy,Gd,Eu and Sm) oxides by X-ray and neutron diffraction Journal of Solid State Chemistry 100 (1992) 201-211
Space group: P n m a
Cell volume: 474.4
Cell parameters: 12.0342; 5.6003; 7.0395; 90; 90; 90;  

COD ID: 1006113
CIF file Formula: - Ni O4.18 Pr2 -
Comments: Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d Zeitschrift fuer Physik, B (1984-) 100 (1995) 85-90
Space group: P 42/n c m :2
Cell volume: 372.2
Cell parameters: 5.4492; 5.4492; 12.5362; 90; 90; 90;  

COD ID: 1006114
CIF file Formula: - Ni O4.2 Pr2 -
Comments: Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d Zeitschrift fuer Physik, B (1984-) 100 (1995) 85-90
Space group: P 42/n c m :2
Cell volume: 372.2
Cell parameters: 5.4492; 5.4492; 12.5361; 90; 90; 90;  

COD ID: 1006115
CIF file Formula: - Ni O4.216 Pr2 -
Comments: Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d Zeitschrift fuer Physik, B (1984-) 100 (1995) 85-90
Space group: P 42/n c m :2
Cell volume: 372.2
Cell parameters: 5.4491; 5.4491; 12.5359; 90; 90; 90;  

COD ID: 1010013
CIF file Formula: - Cl3 H4 Hg N -
Comments: Harmsen, E. J. The crystal structure of NH~4~HgCl~3~ Zeitschrift für Kristallographie - Crystalline Materials 100(1-6) (1939) 208-211
Space group: P -4
Cell volume: 139.4
Cell parameters: 4.19; 4.19; 7.94; 90; 90; 90;  

COD ID: 1010446
CIF file Formula: - Br Na O3 -
Comments: Hamilton, J E The Crystal Structure of Sodium Bromate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 104-111
Space group: P 21 3
Cell volume: 302.1
Cell parameters: 6.71; 6.71; 6.71; 90; 90; 90;  

COD ID: 1010447
CIF file Formula: - Cl2 Pd -
Comments: Wells, A F The Crystal Structure of Palladous Chloride Pd Cl~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 189-194
Space group: P n m n
Cell volume: 140
Cell parameters: 3.81; 3.34; 11; 90; 90; 90;  

COD ID: 1010448
CIF file Formula: - C N Na -
Comments: Verweel, H J; Bijvoet, J M Die Kristallstruktur des Na C N Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 210-207
Space group: I m m m
Cell volume: 98.8
Cell parameters: 3.74; 4.71; 5.61; 90; 90; 90;  

COD ID: 1010449
CIF file Formula: - Br6 K2 Sn -
Comments: Markstein, G; Nowotny, H Die Kristallstrukturen von Bromostannaten A Sn Br~6~ (A= Cs, Rb, N H~4~, K ) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 265-271
Space group: C 4 2 21
Cell volume: 585.7
Cell parameters: 7.43; 7.43; 10.61; 90; 90; 90;  

COD ID: 1010450
CIF file Formula: - Al2 Ca -
Comments: Nowotny, H; Mohrheim, A Die Kristallstruktur von Al~2~ Ca Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 540-542
Space group: F d -3 m :2
Cell volume: 515.8
Cell parameters: 8.02; 8.02; 8.02; 90; 90; 90;  

COD ID: 1010710
CIF file Formula: - H32 O54 Si W12 -
Comments: Kraus, O Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 394-413
Space group: P -1
Cell volume: 8811.2
Cell parameters: 20.47; 19.38; 22.4; 95.6; 94.72; 90.94;  

COD ID: 1010711
CIF file Formula: - B H33 O54 W12 -
Comments: Kraus, O Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 394-413
Space group: P -1
Cell volume: 8721.9
Cell parameters: 20.4; 19.27; 22.37; 96.17; 93.72; 90.98;  

COD ID: 1010712
CIF file Formula: - H32 Mo12 O54 Si -
Comments: Kraus, O Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 394-413
Space group: P -1
Cell volume: 8644.5
Cell parameters: 20.21; 19.25; 22.5; 95.2; 96.63; 92.7;  

COD ID: 1010713
CIF file Formula: - H31 O54 P W12 -
Comments: Kraus, O Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 394-413
Space group: P -1
Cell volume: 8815.4
Cell parameters: 20.48; 19.32; 22.48; 95.62; 95.15; 90.27;  

COD ID: 1010714
CIF file Formula: - H31 Mo12 O54 P -
Comments: Kraus, O Kristallographische und roentgenographische Untersuchungen an einer neuen Hydratgruppe der 12-Heteropolysaeuren Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 394-413
Space group: P -1
Cell volume: 8622.4
Cell parameters: 20.12; 19.25; 22.55; 95.28; 96.62; 92.88;  

COD ID: 1011062
CIF file Formula: - Al2 H4 O9 Si2 -
Comments: Hendricks, S B The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the Polymorphism of the Kaolin Minerals. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 509-518
Space group: C 1 c 1
Cell volume: 1975.9
Cell parameters: 8.94; 5.14; 43; 90; 90.33; 90;  

COD ID: 1011296
CIF file Formula: - F3 Y -
Comments: Nowacki, W Die Kristallstruktur des kubischen Yttriumfluorids Y F3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 242-250
Space group: P m -3 m
Cell volume: 179.8
Cell parameters: 5.644; 5.644; 5.644; 90; 90; 90;  

COD ID: 1011331
CIF file Formula: - Cl4 H2 Hg K2 O -
Comments: MacGillavry, C H; de Wilde, J H; Bijvoet, J M The crystal structure of K2 Hg Cl4 * H2 O Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1938) 212-220
Space group: P b a m
Cell volume: 855
Cell parameters: 8.27; 11.63; 8.89; 90; 90; 90;  

COD ID: 1509990
CIF file Formula: - Ag8 Si Te6 -
Comments: Evain, M.; Boucher, F.; Brec, R. Single-crystal structure determination of gamma - Ag8 Si Te6 and powder x-ray study of low temperature alpha and beta phases Journal of Solid State Chemistry 100 (1992) 341-355
Space group: F -4 3 m
Cell volume: 1529.82
Cell parameters: 11.5225; 11.5225; 11.5225; 90; 90; 90;  

COD ID: 1510555
CIF file Formula: - Au5 Eu -
Comments: Palenzona, A. The phase diagram of the Eu-Au system Journal of the Less-Common Metals 100 (1984) 135-140
Space group: P 6/m m m
Cell volume: 123.188
Cell parameters: 5.576; 5.576; 4.575; 90; 90; 120;  

COD ID: 1510898
CIF file Formula: - B3 Co W3 -
Comments: Nowotny, H.; Benesovsky, F.; Jedlicka, H. Die Kristallstruktur des W3 Co B3 und der dazu isotypen Phasen Mo3 Co B3, Mo3 Ni B3 und W3 Ni B3 Monatshefte fuer Chemie (-108,1977) 100 (1969) 844-850
Space group: C m c m
Cell volume: 286.684
Cell parameters: 3.173; 8.422; 10.728; 90; 90; 90;  

COD ID: 1511004
CIF file Formula: - B2 Ba O6 Zn2 -
Comments: Smith, R.W.; Keszler, D.A. The noncentrosymmetric orthoborate BaZn2(BO3)2 Journal of Solid State Chemistry 100 (1992) 325-330
Space group: P 21 21 21
Cell volume: 555.848
Cell parameters: 9.305; 12.128; 4.9255; 90; 90; 90;  

COD ID: 1511014
CIF file Formula: - B2 Co3 Hf -
Comments: Stadelmaier, H.H.; Schoebel, J.D. Die Boride Hf Co3 B2 und Zr Co3 B2 als ternaerer Ca Cu5-Typ Monatshefte fuer Chemie (-108,1977) 100 (1969) 224-230
Space group: P 6/m m m
Cell volume: 61.592
Cell parameters: 4.84; 4.84; 3.036; 90; 90; 120;  

COD ID: 1511647
CIF file Formula: - B4 Cl4 P2 -
Comments: Sawitzki, G.; Haubold, W.; Keller, W. Das erste closo-Diphosphahexaboran P2 B4 Cl4. Angewandte Chemie (German Edition) 100 (1988) 958-959
Space group: P b n a
Cell volume: 1690.03
Cell parameters: 6.002; 12.401; 22.706; 90; 90; 90;  

COD ID: 1523227
CIF file Formula: - Hg0.8 N Ti3.2 -
Comments: Beckmann, O.; Boller, H.; Nowotny, H.; Benesovsky, F. Einige Komplexcarbide und -nitride in den Systemen Ti - (Zn, Cd, Hg) - (C, N) und Cr - Ga - N Monatshefte fuer Chemie (-108,1977) 100 (1969) 1465-1470
Space group: P m -3 m
Cell volume: 72.043
Cell parameters: 4.161; 4.161; 4.161; 90; 90; 90;  

COD ID: 1523711
CIF file Formula: - Al19 Gd3 Ni5 -
Comments: Gladyshevskii, R.E.; Cenzual, K.; Parthe, E. The crystal structure of orthorhombic Gd3 Ni5 Al19, a new representative of the structure series R2+m T4+m Al15+4m Journal of Solid State Chemistry 100 (1992) 9-15
Space group: C m c m
Cell volume: 1771.82
Cell parameters: 4.0893; 15.993; 27.092; 90; 90; 90;  

COD ID: 1525294
CIF file Formula: - Co0.75 In0.05 Sn0.2 -
Comments: Singh, M.; Singh, N.P. Effect of alloying additions on the structure of Co55 Sn25-x Mx (M= As, In, and Sb) alloys Physica Status Solidi, Sectio A: Applied Research 100 (1987) K111-K116
Space group: I m -3 m
Cell volume: 25.231
Cell parameters: 2.933; 2.933; 2.933; 90; 90; 90;  

COD ID: 1526063
CIF file Formula: - D18 N4 O12 Se3 -
Comments: Fukami, T.; Chen, R.H. Structural phase transition and crystal structure for (N D4)4 D2 (Se O4)3 at low temperature Acta Physica Polonica, A 100 (2001) 53-65
Space group: P 1
Cell volume: 705.998
Cell parameters: 7.65; 10.336; 10.509; 114.34; 93.29; 107.53;  

COD ID: 1528134
CIF file Formula: - Cu6 Ga46.5 Na17 -
Comments: Tillard-Charbonnel, M.; Chousaibi, N.; Belin, C.; Lapasset, J. Synthesis and crystal structure determination of the new ternary intermetallic phase Na17 Cu6 Ga46.5 (Na102 Cu36 Ga279) Journal of Solid State Chemistry 100 (1992) 220-228
Space group: R -3 m :H
Cell volume: 7981.2
Cell parameters: 16.183; 16.183; 35.19; 90; 90; 120;  

COD ID: 1529113
CIF file Formula: - Ag2 H4 O6 Te -
Comments: Fischer, R. Die Kristallstruktur von Ag2 Te O2 (O H)4 Monatshefte fuer Chemie (-108,1977) 100 (1969) 1809-1822
Space group: F d d 2
Cell volume: 1084.47
Cell parameters: 18.72; 6.48; 8.94; 90; 90; 90;  

COD ID: 1530736
CIF file Formula: - Bi2 Se3 -
Comments: Semiletov, S.A.; Pinsker, Z.G. The electron diffraction analysis of the system of alloys Bi-Se Doklady Akademii Nauk SSSR 100 (1955) 1079-1082
Space group: R -3 m :R
Cell volume: 122.284
Cell parameters: 9.42; 9.42; 9.42; 24.08; 24.08; 24.08;  

COD ID: 1530737
CIF file Formula: - Bi3 Se4 -
Comments: Semiletov, S.A.; Pinsker, Z.G. The electron diffraction analysis of the system of alloys Bi-Se Doklady Akademii Nauk SSSR 100 (1955) 1079-1082
Space group: R -3 m :H
Cell volume: 623.07
Cell parameters: 4.22; 4.22; 40.4; 90; 90; 120;  

COD ID: 1534296
CIF file Formula: - Cr3 Ge N -
Comments: Boller, H. Bie Kristallstruktur von Cr3 Ge N Monatshefte fuer Chemie (-108,1977) 100 (1969) 1471-1476
Space group: P -4 21 m
Cell volume: 115.909
Cell parameters: 5.375; 5.375; 4.012; 90; 90; 90;  

COD ID: 1539038
CIF file Formula: - Ge2 Ni2 Yb -
Comments: Rieger, W.; Parthe, E. Ternaere Erdalkali- und Seltene Erdmetall-Silicide und-Germanide mit ThCr2Si2-Struktur Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 100 (1969) 444-454
Space group: I 4/m m m
Cell volume: 155.806
Cell parameters: 4.001; 4.001; 9.733; 90; 90; 90;  

COD ID: 1539516
CIF file Formula: - Li6 O7 Si2 -
Comments: Voellenkle, H.; Wittmann, A.; Nowotny, H. Die Kristallstruktur der Verbindung Li6 (Si2 O7) Monatshefte fuer Chemie (-108,1977) 100 (1969) 295-303
Space group: P -4 21 m
Cell volume: 290.464
Cell parameters: 7.715; 7.715; 4.88; 90; 90; 90;  

COD ID: 1544413
CIF file Formula: - O2 Sn0.15 Ti0.85 -
Comments: Yamane, H.; Young, B.-C.; Hirai, T. Crystal structure of anatase-type TiO2-SnO2 solid solution prepared by CVD Journal of the Ceramic Society of Japan 100 (1992) 1473-1474
Space group: I 41/a m d
Cell volume: 140.161
Cell parameters: 3.8065; 3.8065; 9.6733; 90; 90; 90;  

COD ID: 1544611
CIF file Formula: - O2 Si -
Comments: Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 84 C Journal of Mineralogical and Petrological Sciences 100 (2005) 247-259
Space group: P m -3 n
Cell volume: 2411.71
Cell parameters: 13.4104; 13.4104; 13.4104; 90; 90; 90;  

COD ID: 1544612
CIF file Formula: - O2 Si -
Comments: Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at -50 C Journal of Mineralogical and Petrological Sciences 100 (2005) 247-259
Space group: ?
Cell volume: 9567.8
Cell parameters: 26.786; 26.786; 13.3351; 90; 90; 90;  

COD ID: 1544613
CIF file Formula: - O2 Si -
Comments: Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 60 C Journal of Mineralogical and Petrological Sciences 100 (2005) 247-259
Space group: ?
Cell volume: 9626
Cell parameters: 26.808; 26.808; 13.394; 90; 90; 90;  

COD ID: 1544846
CIF file Formula: - Ca1.53 Fe0.49 Mg0.52 Na0.47 O7 Si1.99 -
Comments: Akasaka, M.; Nagashima, M.; Makino, K.; Ohashi, H. Distribution of Fe3+ in a synthetic (Ca,Na)2(Mg,Fe3+)Si2O7-melilite: 57Fe Mossbauer and X-ray Rietveld studies Journal of Mineralogical and Petrological Sciences 100 (2005) 229-236
Space group: P -4 21 m
Cell volume: 307.639
Cell parameters: 7.8228; 7.8228; 5.0271; 90; 90; 90;  

COD ID: 1545872
CIF file Formula: - F11 Pr Zr2 -
Comments: Laval, J P; Abaouz, A Crystal chemistry of anion-excess ReO3-related phases II; Crystal structure of PrZr2F11 Journal of Solid State Chemistry 100 (1992) 90-100
Space group: I b a m
Cell volume: 841.3
Cell parameters: 7.716; 10.006; 10.897; 90; 90; 90;  

COD ID: 1546509
CIF file Formula: - C F3 Li O3 S -
Comments: Tremayne, M.; Lightfoot, P.; Mehta, M. A.; Bruce, P. G.; Harris, K. D. M.; Shankland, K.; Gilmore, C. J.; Bricogne, G. Ab initio structure determination of LiCF3SO3 from X-ray powder diffraction data using entropy maximization and likelihood ranking Journal of Solid State Chemistry 100 (1992) 191-196
Space group: P 1 21/c 1
Cell volume: 495.36
Cell parameters: 10.2432; 5.0591; 9.5592; 90; 90.319; 90;  

COD ID: 1552503
CIF file Formula: - Cr2 Mg O4 -
Comments: Ishii, T.; Kojitani, H.; Fujino, K.; Yusa, H.; Mori, D.; Inaguma, Y.; Matsushita, Y.; Yamamura, K.; Akaogi, M. High-pressure high-temperature transitions in MgCr2O4 and crystal structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with implications for ultrahigh-pressure chromitites in ophiolites American Mineralogist 100 (2015) 59-65
Space group: C m c m
Cell volume: 261.849
Cell parameters: 2.85107; 9.4893; 9.67853; 90; 90; 90;  

COD ID: 4119064
CIF file Formula: - Ag11.48 Al12 O48 Si12 -
Comments: Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society 100 (1978) 6989-6997
Space group: P m -3 m
Cell volume: 1837.36
Cell parameters: 12.248; 12.248; 12.248; 90; 90; 90;  

COD ID: 4119065
CIF file Formula: - Ag11.888 Al12 O48 Si12 -
Comments: Seff, K.; Kim, Y. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society 100 (1978) 6989-6997
Space group: P m -3 m
Cell volume: 1875.89
Cell parameters: 12.333; 12.333; 12.333; 90; 90; 90;  

COD ID: 4119069
CIF file Formula: - Ag9.26 Al12 O48 Si12 -
Comments: Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society 100 (1978) 6989-6997
Space group: P m -3 m
Cell volume: 1792.73
Cell parameters: 12.148; 12.148; 12.148; 90; 90; 90;  

COD ID: 4124431
CIF file Formula: - Al12 Eu4.504 Na0.9996 O50.752 Si12 -
Comments: Firor, R.L.; Seff, K. Europium(IV), a new oxidation state for europium. crystal structure of dehydrated europium(II)-exchanged sodium zeolite A, Eu4.5 Na3-A, partially oxidized by oxygen Journal of the American Chemical Society 100 (1978) 976-978
Space group: P m -3 m
Cell volume: 1832.87
Cell parameters: 12.238; 12.238; 12.238; 90; 90; 90;  

COD ID: 4124432
CIF file Formula: - Al12 Cl8 Eu5.48 Na O48 Si12 -
Comments: Firor, R.L.; Seff, K. Five-coordinate europium(IV) and zero-coordinate europium(II). Crystal structure of dehydrated near-fully europium(II)-exchanged zeolite A, Eu5.5 Na-A partially oxidized by chlorine Journal of the American Chemical Society 100 (1978) 978-980
Space group: P m -3 m
Cell volume: 1838.72
Cell parameters: 12.251; 12.251; 12.251; 90; 90; 90;  

COD ID: 4124433
CIF file Formula: - Al12 Ca6 O48 Si12 -
Comments: Firor, R.L.; Seff, K. Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A Journal of the American Chemical Society 100 (1978) 3091-3096
Space group: P m -3 m
Cell volume: 1850.9
Cell parameters: 12.278; 12.278; 12.278; 90; 90; 90;  

COD ID: 4124434
CIF file Formula: - Al2 O8 Si2 Sr -
Comments: Firor, R.L.; Seff, K. Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A Journal of the American Chemical Society 100 (1978) 3091-3096
Space group: P m -3 m
Cell volume: 1868.14
Cell parameters: 12.316; 12.316; 12.316; 90; 90; 90;  

COD ID: 4124443
CIF file Formula: - Ag12 Al12 Cl14.248 H2.25 O48 Si12 -
Comments: Kim, Y.; Seff, K. Oxidation of hexasilver to silver chloride by dichlorine. Crystal structure of H2.25 Ag12 Cl2.25 Si12 Al12 O48 * (Cl2)6 a chlorine sorption complex of partially dehydrated fully Ag+ -exchanged ... Journal of the American Chemical Society 100 (1978) 3801-3805
Space group: P m -3 m
Cell volume: 1835.57
Cell parameters: 12.244; 12.244; 12.244; 90; 90; 90;  

COD ID: 4124444
CIF file Formula: - Ag7.48 Al12 O48 Si12 -
Comments: Kim, Y.; Seff, K. The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A Journal of the American Chemical Society 100 (1978) 6989-6997
Space group: P m -3 m
Cell volume: 1851.35
Cell parameters: 12.279; 12.279; 12.279; 90; 90; 90;  

COD ID: 4124447
CIF file Formula: - Al12 Cd9.5 Cl4 H3 O51 Si12 -
Comments: McCusker, L.B.; Seff, K. Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A Journal of the American Chemical Society 100 (1978) 5052-5057
Space group: P m -3 m
Cell volume: 1846.83
Cell parameters: 12.269; 12.269; 12.269; 90; 90; 90;  

COD ID: 4124448
CIF file Formula: - Al12 Cd9.5 Cl4 H11 O55 Si12 -
Comments: McCusker, L.B.; Seff, K. Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A Journal of the American Chemical Society 100 (1978) 5052-5057
Space group: P m -3 m
Cell volume: 1824.34
Cell parameters: 12.219; 12.219; 12.219; 90; 90; 90;  

COD ID: 4124467
CIF file Formula: - Al12 Cl8 Co4 Na4 O48 Si12 -
Comments: Subramanian, V.; Seff, K.; Ottersen, T. A molecular chlorine complex of cobalt(II). The crystal structure of a dichlorine sorption complex of dehydrated cobalt(II)- exchanged sodium zeolite A, Co4 Na4 - A (Cl2)4 Journal of the American Chemical Society 100 (1978) 2911-2913
Space group: P m -3 m
Cell volume: 1771.12
Cell parameters: 12.099; 12.099; 12.099; 90; 90; 90;  

COD ID: 4124792
CIF file Formula: - C7.3 H14.6 Ag12 Al12 O48 Si12 -
Comments: Kim, Y.; Seff, K. The hexasilver molecule stabilized by coordination to Si(x) silver ions. The structure of (Ag+)6 (Ag6). The crystal structure of an ethylene sorption complex of partially decomposed fully Ag±exchanged zeolite A Journal of the American Chemical Society 100 (1978) 175-180
Space group: P m -3 m
Cell volume: 1821.21
Cell parameters: 12.212; 12.212; 12.212; 90; 90; 90;  

COD ID: 8104233
CIF file Formula: - Na -
Comments: Aruja, E.; Perlitz, H. Neubestimmung der Gitterkonstanten von Natrium Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 100 (1939) 195-200
Space group: I m -3 m
Cell volume: 78.513
Cell parameters: 4.282; 4.282; 4.282; 90; 90; 90;  

COD ID: 9009704
CIF file Formula: - As2 Ca2 Co0.35 H1.02 Mg0.65 O10 -
Comments: Catti M; Ferraris G; Ivaldi G Hydrogen bonding in the crystalline state. Structure of talmessite, Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals Locality: Bou-Azzer, Morocco Bulletin de Mineralogie 100 (1977) 230-236
Space group: P -1
Cell volume: 196.762
Cell parameters: 5.874; 6.943; 5.537; 97.3; 108.7; 108.1;  

COD ID: 9012847
CIF file Formula: - B Nb O4 -
Comments: Range, K. J.; Wildenauer, M.; Heyns, A. M. Extrem kurze nichtbindende sauerstoff-sauerstoff-abstande: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD Angewandte Chemie 100 (1988) 973-975
Space group: I 41/a m d :2
Cell volume: 211.456
Cell parameters: 6.2141; 6.2141; 5.476; 90; 90; 90;  

COD ID: 9012848
CIF file Formula: - Na O8 Ta3 -
Comments: Range, K. J.; Wildenauer, M.; Heyns, A. M. Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD Angewandte Chemie 100 (1988) 973-975
Space group: I b a m
Cell volume: 530.436
Cell parameters: 7.242; 10.462; 7.001; 90; 90; 90;  

COD ID: 9012849
CIF file Formula: - Na Nb3 O8 -
Comments: Range, K. J.; Wildenauer, M.; Heyns, A. M. Extrem kurze nichtbindende sauerstoff-sauerstoff-abstaende: Die kristallstrukturen von NbBO4, NaNb3O8 und NaTa3O8 Note: data from ICSD Angewandte Chemie 100 (1988) 973-975
Space group: I b a m
Cell volume: 531.819
Cell parameters: 7.3244; 10.31; 7.0426; 90; 90; 90;  

COD ID: 9013491
CIF file Formula: - O2 Si -
Comments: Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 298 K Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69
Space group: A 1 a 1
Cell volume: 2122.98
Cell parameters: 25.878; 5.001; 18.526; 90; 117.69; 90;  

COD ID: 9013492
CIF file Formula: - O2 Si -
Comments: Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 373 K Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69
Space group: A 1 a 1
Cell volume: 2128.64
Cell parameters: 25.919; 5.004; 18.54; 90; 117.72; 90;  

COD ID: 9013493
CIF file Formula: - O2 Si -
Comments: Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 413 K Journal of Mineralogical and Petrological Sciences 100 (2005) 55-69
Space group: P 21 21 21
Cell volume: 1069.76
Cell parameters: 26.163; 4.987; 8.199; 90; 90; 90;  

COD ID: 9014333
CIF file Formula: - Al3 Bi0.49 Ca0.23 H6 O14 P1.8 Si0.2 Sr0.28 -
Comments: Mills, S. J.; Kampf, A. R.; Raudsepp, M.; Birch, W. D. The crystal structure of waylandite from Wheal Remfry, Cornwall, United Kingdom Mineralogy and Petrology 100 (2010) 249-253
Space group: R -3 m :H
Cell volume: 694.693
Cell parameters: 7.0059; 7.0059; 16.3431; 90; 90; 120;  

COD ID: 9015672
CIF file Formula: - Bi Mo2 O10 -
Comments: Orlandi, P.; Pasero, M.; Bigi, S. Sardignaite, a new mineral, the second known bismuth molybdate: description and crystal structure Mineralogy and Petrology 100 (2010) 17-22
Space group: P 1 21/m 1
Cell volume: 388.767
Cell parameters: 5.7797; 11.567; 6.3344; 90; 113.36; 90;  

COD ID: 9017090
CIF file Formula: - Fe1.946 O3 -
Comments: Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J. A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C American Mineralogist 100 (2015) 570-579
Space group: I 1 2/a 1
Cell volume: 200.695
Cell parameters: 7.3951; 5.0117; 5.4417; 90; 95.666; 90;  

COD ID: 9017091
CIF file Formula: - H2 O10 S Sb4 -
Comments: Roper, A. J.; Leverett, P.; Murphy, T. D.; Williams, P. A.; Hibbs, D. E. Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, and refinement of its structure American Mineralogist 100 (2015) 602-607
Space group: P c a 21
Cell volume: 962.809
Cell parameters: 5.7563; 11.2538; 14.8627; 90; 90; 90;  

COD ID: 9017092
CIF file Formula: - Fe2.017 Mg1.983 O5 -
Comments: Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B. Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member American Mineralogist 100 (2015) 628-632
Space group: C m c m
Cell volume: 352.767
Cell parameters: 2.8889; 9.7282; 12.5523; 90; 90; 90;  

COD ID: 9017093
CIF file Formula: - Al Li O10 Si4 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 423.952
Cell parameters: 11.22955; 5.1396; 11.7514; 90; 141.312; 90;  

COD ID: 9017094
CIF file Formula: - Al Li O10 Si4 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 421.069
Cell parameters: 11.2067; 5.1228; 11.716; 90; 141.243; 90;  

COD ID: 9017095
CIF file Formula: - Al Li O10 Si4 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 418.826
Cell parameters: 11.1895; 5.11; 11.6872; 90; 141.19; 90;  

COD ID: 9017096
CIF file Formula: - Al Li O10 Si4 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.89 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 416.413
Cell parameters: 11.1705; 5.0963; 11.6569; 90; 141.134; 90;  

COD ID: 9017097
CIF file Formula: - Al Li O10 Si4 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 412.257
Cell parameters: 11.1425; 5.0723; 11.6092; 90; 141.074; 90;  

COD ID: 9017098
CIF file Formula: - Al3 Li3 O30 Si12 -
Comments: Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 2.71 GPa American Mineralogist 100 (2015) 714-721
Space group: P 1 2/c 1
Cell volume: 1165.15
Cell parameters: 10.8301; 5.053; 33.59; 90; 140.665; 90;  

COD ID: 9017099
CIF file Formula: - Al0.62 Ca0.11 F0.03 Fe0.486 H1.97 K0.067 Mg3.884 Mn0.01 Na2.829 O23.97 Si8 -
Comments: Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E. Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal structure, mineral data, and hints on the reasons for the rarity of eckermannite Note: Sample AMNH H108401 American Mineralogist 100 (2015) 909-914
Space group: C 1 2/m 1
Cell volume: 899.826
Cell parameters: 9.8087; 17.8448; 5.2905; 90; 103.66; 90;  

COD ID: 9017100
CIF file Formula: - Ca1.39 Cl0.72 Fe0.26 H0.28 Mn3.41 O12.28 P3 -
Comments: Tait, K.; Ball, N. A.; Hawthorne, F. C. Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake, Manitoba, Canada: Description and crystal structure American Mineralogist 100 (2015) 1047-1052
Space group: P 63/m
Cell volume: 496.492
Cell parameters: 9.504; 9.504; 6.347; 90; 90; 120;  

COD ID: 9017101
CIF file Formula: - Cs0.44 H20.16 Hf0.04 K0.48 Na7.04 Nb0.08 O70.08 Si24 Y0.68 Zr3.28 -
Comments: Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Pekov, I. V.; Siidra, O. I. Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline massif and its implications as a new microporous filter for large ions American Mineralogist 100 (2015) 1502-1508
Space group: C 1 2/m 1
Cell volume: 2974.09
Cell parameters: 14.5975; 14.11; 14.4394; 90; 90.0399; 90;  

COD ID: 9017102
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 312.398
Cell parameters: 4.7903; 4.7903; 15.72; 90; 90; 120;  

COD ID: 9017103
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 267.075
Cell parameters: 4.6581; 4.6581; 14.213; 90; 90; 120;  

COD ID: 9017104
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 265.565
Cell parameters: 4.6554; 4.6554; 14.149; 90; 90; 120;  

COD ID: 9017105
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 263.257
Cell parameters: 4.6473; 4.6473; 14.075; 90; 90; 120;  

COD ID: 9017106
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 260.597
Cell parameters: 4.6416; 4.6416; 13.967; 90; 90; 120;  

COD ID: 9017107
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 256.764
Cell parameters: 4.6301; 4.6301; 13.83; 90; 90; 120;  

COD ID: 9017108
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 255.897
Cell parameters: 4.6278; 4.6278; 13.797; 90; 90; 120;  

COD ID: 9017109
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 253.091
Cell parameters: 4.6193; 4.6193; 13.696; 90; 90; 120;  

COD ID: 9017110
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 249.975
Cell parameters: 4.61; 4.61; 13.582; 90; 90; 120;  

COD ID: 9017111
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 247.959
Cell parameters: 4.6024; 4.6024; 13.517; 90; 90; 120;  

COD ID: 9017112
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 243.535
Cell parameters: 4.5927; 4.5927; 13.332; 90; 90; 120;  

COD ID: 9017113
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa American Mineralogist 100 (2015) 2625-2629
Space group: P -1
Cell volume: 77.429
Cell parameters: 2.936; 4.841; 5.568; 100.82; 94.93; 90.18;  

COD ID: 9017114
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa American Mineralogist 100 (2015) 2625-2629
Space group: P -1
Cell volume: 76.264
Cell parameters: 2.928; 4.816; 5.545; 101.71; 94.99; 89.9;  

COD ID: 9017115
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa American Mineralogist 100 (2015) 2625-2629
Space group: P -1
Cell volume: 76.872
Cell parameters: 2.934; 4.839; 5.557; 101.87; 95.29; 89.73;  

COD ID: 9017116
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa American Mineralogist 100 (2015) 2625-2629
Space group: P -1
Cell volume: 77.604
Cell parameters: 2.94; 4.856; 5.584; 101.99; 95.58; 89.65;  

COD ID: 9017117
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa American Mineralogist 100 (2015) 2625-2629
Space group: P -1
Cell volume: 77.921
Cell parameters: 2.9539; 4.843; 5.588; 101.78; 95.09; 90.45;  

COD ID: 9017118
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 310.529
Cell parameters: 4.7799; 4.7799; 15.694; 90; 90; 120;  

COD ID: 9017119
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p1 Note: P = .22 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 310.208
Cell parameters: 4.7788; 4.7788; 15.685; 90; 90; 120;  

COD ID: 9017120
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p2 Note: P = .79 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 308.786
Cell parameters: 4.7753; 4.7753; 15.636; 90; 90; 120;  

COD ID: 9017121
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p3 Note: P = 1.62 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 307.138
Cell parameters: 4.7714; 4.7714; 15.578; 90; 90; 120;  

COD ID: 9017122
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p4 Note: P = 2.12 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 305.442
Cell parameters: 4.7654; 4.7654; 15.531; 90; 90; 120;  

COD ID: 9017123
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p5 Note: P = 2.66 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 303.37
Cell parameters: 4.7581; 4.7581; 15.473; 90; 90; 120;  

COD ID: 9017124
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p6 Note: P = 3.57 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 299.351
Cell parameters: 4.7426; 4.7426; 15.368; 90; 90; 120;  

COD ID: 9017125
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p7 Note: P = 4.39 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 298.183
Cell parameters: 4.7409; 4.7409; 15.319; 90; 90; 120;  

COD ID: 9017126
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p8 Note: P = 4.74 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 298.044
Cell parameters: 4.7415; 4.7415; 15.308; 90; 90; 120;  

COD ID: 9017127
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p9 Note: P = 5.20 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 297.296
Cell parameters: 4.7388; 4.7388; 15.287; 90; 90; 120;  

COD ID: 9017128
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p10 Note: P = 6.33 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 294.763
Cell parameters: 4.7332; 4.7332; 15.1926; 90; 90; 120;  

COD ID: 9017129
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p11 Note: P = 7.01 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 292.395
Cell parameters: 4.7248; 4.7248; 15.1242; 90; 90; 120;  

COD ID: 9017130
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p12 Note: P = 8.33 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 289.952
Cell parameters: 4.7177; 4.7177; 15.043; 90; 90; 120;  

COD ID: 9017131
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p13 Note: P = 9.17 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 288.556
Cell parameters: 4.7146; 4.7146; 14.9903; 90; 90; 120;  

COD ID: 9017132
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p14 Note: P = 9.82 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 286.702
Cell parameters: 4.7087; 4.7087; 14.9313; 90; 90; 120;  

COD ID: 9017133
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p15 Note: P = 10.88 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 284.389
Cell parameters: 4.7017; 4.7017; 14.855; 90; 90; 120;  

COD ID: 9017134
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p16 Note: P = 11.90 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 282.433
Cell parameters: 4.6955; 4.6955; 14.7918; 90; 90; 120;  

COD ID: 9017135
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p17 Note: P = 12.73 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 281.098
Cell parameters: 4.6929; 4.6929; 14.7382; 90; 90; 120;  

COD ID: 9017136
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p18 Note: P = 14.82 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 277.488
Cell parameters: 4.6826; 4.6826; 14.613; 90; 90; 120;  

COD ID: 9017137
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p19 Note: P = 16.42 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 275.273
Cell parameters: 4.6775; 4.6775; 14.528; 90; 90; 120;  

COD ID: 9017138
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p20 Note: P = 17.66 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 272.561
Cell parameters: 4.6679; 4.6679; 14.4441; 90; 90; 120;  

COD ID: 9017139
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p21 Note: P = 18.69 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 271.83
Cell parameters: 4.6686; 4.6686; 14.401; 90; 90; 120;  

COD ID: 9017140
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p22 Note: P = 19.78 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 270.175
Cell parameters: 4.6641; 4.6641; 14.341; 90; 90; 120;  

COD ID: 9017141
CIF file Formula: - C Ca0.04 Mn0.96 O3 -
Comments: Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p23 Note: P = 20.24 GPa American Mineralogist 100 (2015) 2625-2629
Space group: R -3 c :H
Cell volume: 269.771
Cell parameters: 4.6624; 4.6624; 14.33; 90; 90; 120;  

COD ID: 9017142
CIF file Formula: - H18 Mg1.09 Na0.91 O13 P -
Comments: Kampf, A. R.; Mills, S. J.; Nash, B. P.; Jensen, M.; Nikischer, T. Apexite, NaMg(PO4)*9H2O, a new struvite-type phase with a heteropolyhedral cluster American Mineralogist 100 (2015) 2695-2701
Space group: P -1
Cell volume: 1160.88
Cell parameters: 6.9296; 11.9767; 14.9436; 92.109; 102.884; 105.171;  

COD ID: 9017143
CIF file Formula: - Ca9 Fe0.048 Mg0.952 Na0.98 O28 P7 -
Comments: Xie, X.; Yang, H.; Gu, X.; Downs, R. T. Chemical composition and crystal structure of merrillite from the Suizhou meteorite American Mineralogist 100 (2015) 2753-2756
Space group: R 3 c :H
Cell volume: 3430.49
Cell parameters: 10.3444; 10.3444; 37.0182; 90; 90; 120;  

COD ID: 9017852
CIF file Formula: - C2 H12 Al2 Ca O14 -
Comments: Stachowicz, M.; Parafiniuk, J.; Wilson, C.; Coles, S.; Wozniak, K. Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals American Mineralogist 100 (2015) 110-119
Space group: P -1
Cell volume: 537.469
Cell parameters: 5.71; 6.54; 14.64; 81.8; 83.9; 86.5;  


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