Crystallography Open Database

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Searching volume of publication is 106

COD ID: 1001569
CIF file Formula: - Ba4 Cu2 Nd2 O9 -
Comments: Domenges, B; Abbattista, F; Michel, C; Vallino, M; Barbey, L; Nguyen, N; Raveau, B A one-dimensional cuprate closely related to the "0212"-structure: Nd~2~Ba~4~Cu~2~O~9~ Journal of Solid State Chemistry 106 (1993) 271-281
Space group: P -4 n 2
Cell volume: 564.5
Cell parameters: 12.0717; 12.0717; 3.8737; 90; 90; 90;  

COD ID: 1001668
CIF file Formula: - C76.039 S48 -
Comments: Michel, R H; Kappes, M M; Adelmann, P; Roth, G Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes Angewandte Chemie (German Edition) 106 (1994) 1742-1746
Space group: C 1 m 1
Cell volume: 4108.2
Cell parameters: 10.41; 20.5; 19.48; 90; 98.8; 90;  

COD ID: 1008644
CIF file Formula: - La O3 V -
Comments: Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry 106 (1993) 253-270
Space group: P n m a
Cell volume: 242.1
Cell parameters: 5.55548; 7.84868; 5.55349; 90; 90; 90;  

COD ID: 1008645
CIF file Formula: - La O3 V -
Comments: Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry 106 (1993) 253-270
Space group: P n m a
Cell volume: 241.6
Cell parameters: 5.5581; 7.83421; 5.54862; 90; 90; 90;  

COD ID: 1008646
CIF file Formula: - La O3 V -
Comments: Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry 106 (1993) 253-270
Space group: P 1 1 21/a
Cell volume: 241.5
Cell parameters: 5.5936; 7.75951; 5.5649; 90; 90; 90.125;  

COD ID: 1008647
CIF file Formula: - La O3 V -
Comments: Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry 106 (1993) 253-270
Space group: P 1 1 21/a
Cell volume: 241.1
Cell parameters: 5.5917; 7.7516; 5.5623; 90; 90; 90.129;  

COD ID: 1507419
CIF file Formula: - C123.3 H53.3 Cl0.9 Co N5 Sc3 -
Comments: Campanera, Josep M.; Bo, Carles; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M. Bonding within the Endohedral Fullerenes Sc3N@C78and Sc3N@C80as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@C78}·Co(OEP)}·1.5(C6H6)·0.3(CHCl3) The Journal of Physical Chemistry A 106(51) (2002) 12356
Space group: C 1 2/m 1
Cell volume: 7316.3
Cell parameters: 25.124; 14.94; 19.533; 90; 93.72; 90;  

COD ID: 1507420
CIF file Formula: - C8 H14 F6 N2 O8 S2 Sr -
Comments: Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A 106(41) (2002) 9612
Space group: I b a m
Cell volume: 1928.6
Cell parameters: 11.68; 20.5299; 8.0429; 90; 90; 90;  

COD ID: 1507421
CIF file Formula: - C8 H14 F6 N2 O8 S2 Sr -
Comments: Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A 106(41) (2002) 9612
Space group: I b a m
Cell volume: 1986.3
Cell parameters: 11.751; 20.78; 8.1345; 90; 90; 90;  

COD ID: 1507422
CIF file Formula: - C6 H12 F6 O8 S4 Sr -
Comments: Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A 106(41) (2002) 9612
Space group: I 1 2/a 1
Cell volume: 1793
Cell parameters: 8.4221; 11.5766; 18.42; 90; 93.263; 90;  

COD ID: 1507491
CIF file Formula: - C5 H10 F3 Na O5 S -
Comments: Rhodes, Christopher P.; Khan, Masood; Frech, Roger Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length The Journal of Physical Chemistry B 106(40) (2002) 10330
Space group: P 1 21/c 1
Cell volume: 1100.28
Cell parameters: 5.8784; 17.3462; 10.8042; 90; 92.891; 90;  

COD ID: 1507492
CIF file Formula: - C38 H72 F18 Li6 O34 S6 -
Comments: Rhodes, Christopher P.; Khan, Masood; Frech, Roger Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length The Journal of Physical Chemistry B 106(40) (2002) 10330
Space group: P -1
Cell volume: 3587.2
Cell parameters: 13.11; 16.496; 19.382; 104.55; 100.628; 111.661;  

COD ID: 1507493
CIF file Formula: - C11 H22 F3 Na O8 S -
Comments: Rhodes, Christopher P.; Khan, Masood; Frech, Roger Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length The Journal of Physical Chemistry B 106(40) (2002) 10330
Space group: P 1 21/c 1
Cell volume: 1782.3
Cell parameters: 15.3093; 9.6185; 12.6945; 90; 107.549; 90;  

COD ID: 1509006
CIF file Formula: - Ag0.6 Ga3 Te4.75 -
Comments: Zabel, M.; Panzer, P.; Range, K.J. Hochdrucksynthese und Kristallstruktur von Ag2 Ga6 Te10 Journal of the Less-Common Metals 106 (1985) 305-314
Space group: C 1 2 1
Cell volume: 2076.36
Cell parameters: 14.33; 14.308; 10.127; 90; 90.2; 90;  

COD ID: 1509476
CIF file Formula: - Ag Na3 S2 -
Comments: Bronger, W.; Klepp, K.O. Ein Thioargentat mit isolierten Anionen Journal of the Less-Common Metals 106 (1985) 95-101
Space group: I b a m
Cell volume: 553.52
Cell parameters: 6.38; 12.581; 6.896; 90; 90; 90;  

COD ID: 1509488
CIF file Formula: - Ag O -
Comments: Zeek, W.C.; Salkind, A.J. The structure of AgO Journal of the Electrochemical Society 106 (1959) 366-366
Space group: C 1 2/c 1
Cell volume: 106.665
Cell parameters: 5.852; 3.478; 5.495; 90; 107.5; 90;  

COD ID: 1509634
CIF file Formula: - Ag16 Ca6 N -
Comments: Simon, A.; Snyder, G.J. Diskrete (M6 N)-Oktaeder in den Subnitriden Na16 Ba6 N und Ag16 Ca6 N - eine Ueberpruefung des Ag8 Ca3-Typs Angewandte Chemie (German Edition) 106 (1994) 713-715
Space group: I m -3 m
Cell volume: 936.733
Cell parameters: 9.7845; 9.7845; 9.7845; 90; 90; 90;  

COD ID: 1511291
CIF file Formula: - B O5 P Sr -
Comments: Kniep, R.; Asbrand, M.; Kizilyalli, M.; Roehr, C.; Goezel, G.; Eisenmann, B. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition) 106 (1994) 791-793
Space group: P 31 2 1
Cell volume: 276.874
Cell parameters: 6.8488; 6.8488; 6.8159; 90; 90; 120;  

COD ID: 1511343
CIF file Formula: - B1.29 Ni4.43 Si2 -
Comments: Knotek, O.; Lugscheider, E.; Reimann, H. Das Dreistoffsystem Nickel-Bor-Silicium Monatshefte fuer Chemie (-108,1977) 106 (1975) 1155-1165
Space group: I 4/m c m
Cell volume: 318.315
Cell parameters: 8.629; 8.629; 4.275; 90; 90; 90;  

COD ID: 1511447
CIF file Formula: - B Ba3 O12 P3 -
Comments: Goezel, G.; Eisenmann, B.; Kizilyalli, M.; Kniep, R.; Roehr, C.; Asbrand, M. Borophosphate - eine vernachlaessigte Verbindungsklasse: Die Kristallstrukturen von M(II) (B P O5) (M(II)= Ca, Sr) und Ba3 (B P3 O12) Angewandte Chemie (German Edition) 106 (1994) 791-793
Space group: I b c a
Cell volume: 2255.09
Cell parameters: 22.211; 14.296; 7.102; 90; 90; 90;  

COD ID: 1511466
CIF file Formula: - B Ca O5 P -
Comments: Goezel, G.; Kniep, R.; Asbrand, M.; Eisenmann, B.; Roehr, C.; Kizilyalli, M. Borophosphates - a neglected class of compounds: the crystal structures of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12) Angewandte Chemie (German Edition) 106 (1994) 791-793
Space group: P 31 2 1
Cell volume: 255.511
Cell parameters: 6.6799; 6.6799; 6.6121; 90; 90; 120;  

COD ID: 1511479
CIF file Formula: - B4 Ba5 F2 O10 -
Comments: Alekel, T.; Keszler, D.A. The pyroborate fluoride Ba5(B2O5)2F2 Journal of Solid State Chemistry 106 (1993) 310-316
Space group: C 1 2/c 1
Cell volume: 1261.67
Cell parameters: 20.726; 7.115; 8.589; 90; 95.05; 90;  

COD ID: 1520985
CIF file Formula: - C60 Eu6 -
Comments: Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P. Crystal chemistry of europium fullerides Solid State Communications 106 (1998) 431-435
Space group: I m -3
Cell volume: 1320.14
Cell parameters: 10.97; 10.97; 10.97; 90; 90; 90;  

COD ID: 1523119
CIF file Formula: - Ga4 Sm9 -
Comments: Yatsenko, S.P.; Grin', Yu.; Chuntonov, K.A.; Sichevich, O.M.; Yarmolyuk, Ya.P. Die Struktur von Sm9 Ga4 Journal of the Less-Common Metals 106 (1985) 35-40
Space group: I 4/m
Cell volume: 724.366
Cell parameters: 11.94; 11.94; 5.081; 90; 90; 90;  

COD ID: 1523637
CIF file Formula: - Ga2 Ni3 Y -
Comments: Fremy, M.A.; Gignoux, D.; Moreau, J.M.; Paccard, D.; Paccard, M. R M3 Ga2 compounds (R= rare earth; M= Co, Ni); a new structural series Journal of the Less-Common Metals 106 (1985) 251-255
Space group: P 6/m m m
Cell volume: 269.736
Cell parameters: 8.7; 8.7; 4.115; 90; 90; 120;  

COD ID: 1524184
CIF file Formula: - Co0.72 Ni0.28 Zr -
Comments: Carvalho, E.M.; Harris, I.R. X-ray diffraction studies of structural changes in the system Zr50 Co50-x Nix (x=0-50): III Journal of the Less-Common Metals 106 (1985) 143-152
Space group: P m -3 m
Cell volume: 32.75
Cell parameters: 3.1994; 3.1994; 3.1994; 90; 90; 90;  

COD ID: 1524215
CIF file Formula: - Co4 Ga Gd -
Comments: Chuang, Y.C.; Wu, C.-H.; Chen, H.B. Structure and decomposition behaviour of Gd Co5-x Mx pseudobinary compounds. I: Structure Journal of the Less-Common Metals 106 (1985) 41-51
Space group: P 6/m m m
Cell volume: 87.904
Cell parameters: 5.028; 5.028; 4.015; 90; 90; 120;  

COD ID: 1524216
CIF file Formula: - Co2.5 Cu2.5 Gd -
Comments: Chuang, Y.C.; Wu, C.-H.; Chen, H.B. Structure and decomposition behaviour of Gd Co5-x Mx pseudobinary compounds. I: Structure Journal of the Less-Common Metals 106 (1985) 41-51
Space group: P 6/m m m
Cell volume: 87.323
Cell parameters: 5.007; 5.007; 4.022; 90; 90; 120;  

COD ID: 1524217
CIF file Formula: - Co2.5 Cu2.5 Y -
Comments: Chuang, Y.C.; Wu, C.-H.; Chang, Y.C. Structure and magnetic properties of Y(Co1-xMx)5 compounds Journal of the Less-Common Metals 106 (1985) 41-51
Space group: P 6/m m m
Cell volume: 85.711
Cell parameters: 4.968; 4.968; 4.01; 90; 90; 120;  

COD ID: 1524230
CIF file Formula: - C15 Eu2.819 -
Comments: Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P. Crystal chemistry of europium fullerides Solid State Communications 106 (1998) 431-435
Space group: P a -3
Cell volume: 22449.6
Cell parameters: 28.21; 28.21; 28.21; 90; 90; 90;  

COD ID: 1524384
CIF file Formula: - Co3 Ga2 Y -
Comments: Fremy, M.A.; Moreau, J.M.; Gignoux, D.; Paccard, D.; Paccard, L. R M3 Ga2 compounds (R= rare earth; M= Co, Ni); a new structural series Journal of the Less-Common Metals 106 (1985) 251-255
Space group: P 6/m m m
Cell volume: 273.192
Cell parameters: 8.819; 8.819; 4.056; 90; 90; 120;  

COD ID: 1525400
CIF file Formula: - Co2 Si0.2 Zr0.8 -
Comments: Trojko, R.; Blazina, Z. Metal-metalloid exchange in some Friauf-Laves phases containing two transition metals Journal of the Less-Common Metals 106 (1985) 293-300
Space group: F d -3 m :1
Cell volume: 329.081
Cell parameters: 6.904; 6.904; 6.904; 90; 90; 90;  

COD ID: 1528720
CIF file Formula: - O3 Pb Te -
Comments: Mariolacos, K. Die Kristallstruktur von Pb Te O3 Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse 106 (1969) 129-131
Space group: C 1 2/c 1
Cell volume: 2134.6
Cell parameters: 26.73; 4.6; 18.06; 90; 106; 90;  

COD ID: 1529268
CIF file

HKL data

 Formula: - Mo2 O8 Rb Sm -
Comments: Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh. Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2 Materials Letters 106 (2013) 26
Space group: P b c n
Cell volume: 790.21
Cell parameters: 5.1431; 18.8195; 8.1641; 90; 90; 90;  

COD ID: 1530590
CIF file Formula: - Sb2 Se4 Tl2 -
Comments: Pinsker, Z.G.; Semiletov, S.A.; Belova, E.N. The electron diffraction determination of the structure of Tl2 Sb2 Se4 Doklady Akademii Nauk SSSR 106 (1956) 1003-1006
Space group: P m n a
Cell volume: 225.72
Cell parameters: 4.18; 4.5; 12; 90; 90; 90;  

COD ID: 1531065
CIF file Formula: - Al17.32 Ca5.376 O165.12 Si46.68 -
Comments: Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Zanardi, S.; Vezzalini, G. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta J. Phys. Chem. B 106 (2002) 10277-10284
Space group: C 1 2/c 1
Cell volume: 4306.12
Cell parameters: 17.983; 17.966; 14.625; 90; 114.31; 90;  

COD ID: 1531066
CIF file Formula: - Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04 -
Comments: Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta J. Phys. Chem. B 106 (2002) 10277-10284
Space group: P 41 2 2
Cell volume: 4247.12
Cell parameters: 12.634; 12.634; 26.608; 90; 90; 90;  

COD ID: 1531181
CIF file Formula: - Al92 Cd68 O384 Si100 -
Comments: Choi, E.Y.; Lee, S.H.; Han, Y.W.; Kim, Y.; Seff, K. Crystal structure of a cadmium sorption complex of dehydrated fully Cd(2+)-exchanged zeolite X containing Cd(2+), Cd(+) and Cd(0) J. Phys. Chem. B 106 (2002) 7569-7573
Space group: F d -3 m :2
Cell volume: 15537
Cell parameters: 24.953; 24.953; 24.953; 90; 90; 90;  

COD ID: 1531407
CIF file Formula: - Al12 H6 In10 O48 S3 Si12 -
Comments: Heo, N.-H.; Chun, C.W.; Park, M.; Li, S.-L.; Lim, W.T.; Park, J.S.; Zhou, L.-P. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containingIn2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B 106 (2002) 4578-4587
Space group: P m -3 m
Cell volume: 1764.1
Cell parameters: 12.083; 12.083; 12.083; 90; 90; 90;  

COD ID: 1531410
CIF file Formula: - Al12 H5.2 In9.6 O48 S2.6 Si12 -
Comments: Heo, N.-H.; Park, M.; Chun, C.W.; Lim, W.T.; Park, J.S.; Li, S.-L.; Zhou, L.-P. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide.Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B 106 (2002) 4578-4587
Space group: P m -3 m
Cell volume: 1761.04
Cell parameters: 12.076; 12.076; 12.076; 90; 90; 90;  

COD ID: 1531413
CIF file Formula: - Al12 H2.8 In10.2 O48 S1.4 Si12 -
Comments: Heo, N.-H.; Lim, W.T.; Chun, C.W.; Zhou, L.-P.; Park, J.S.; Park, M.; Li, S.-L. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B 106 (2002) 4578-4587
Space group: P m -3 m
Cell volume: 1768.93
Cell parameters: 12.094; 12.094; 12.094; 90; 90; 90;  

COD ID: 1531416
CIF file Formula: - Al12 H1.6 In10.2 O48 S0.8 Si12 -
Comments: Heo, N.-H.; Chun, C.W.; Park, J.S.; Zhou, L.-P.; Park, M.; Lim, W.T.; Li, S.-L. Reaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+) J. Phys. Chem. B 106 (2002) 4578-4587
Space group: P m -3 m
Cell volume: 1768.93
Cell parameters: 12.094; 12.094; 12.094; 90; 90; 90;  

COD ID: 1531991
CIF file Formula: - Al O4 P -
Comments: Poulet, G.; Tuel, A.; Sautet, P. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principles calculations J. Phys. Chem. B 106 (2002) 8599-8608
Space group: R -3 :R
Cell volume: 832.974
Cell parameters: 9.442; 9.442; 9.442; 94.65; 94.65; 94.65;  

COD ID: 1531993
CIF file Formula: - Al H4 O6 P -
Comments: Poulet, G.; Sautet, P.; Tuel, A. Structure of hydrated microporous aluminophosphates: static and molecular dynamics approaches of (Al P O4)-34 from first principlescalculations J. Phys. Chem. B 106 (2002) 8599-8608
Space group: P 1
Cell volume: 798.953
Cell parameters: 9.1851; 9.464; 9.5281; 94.511; 102.89; 95.751;  

COD ID: 1534655
CIF file Formula: - Ba Mn O2.83 -
Comments: Gonzalez-Calbet, J.M.; Parras, M.; Alonso, J.M.; Vallet-Regi, M.; Prewitt, C.T. Microstructural investigations of oxygen-deficient Ba Mn O3-y hexagonal perovskites Journal of Solid State Chemistry 106 (1993) 99-110
Space group: P -6 m 2
Cell volume: 534.606
Cell parameters: 5.7; 5.7; 19; 90; 90; 120;  

COD ID: 1534656
CIF file Formula: - H8 I N4 P -
Comments: Schnick, W.; Horstmann, S.; Schmidpeter, A. Synthese und Struktur des ersten TetraaminophosphoniumSalzes P (N H2)4 I Angewandte Chemie (German Edition) 106 (1994) 818-819
Space group: P 4/n b m :2
Cell volume: 345.545
Cell parameters: 8.426; 8.426; 4.867; 90; 90; 90;  

COD ID: 1534658
CIF file Formula: - Ba Mn O2.83 -
Comments: Gonzalez-Calbet, J.M.; Parras, M.; Alonso, J.M.; Prewitt, C.T.; Vallet-Regi, M. Microstructural investigations of oxygen-deficient Ba Mn O3-y hexagonal perovskites Journal of Solid State Chemistry 106 (1993) 99-110
Space group: P -6 m 2
Cell volume: 393.92
Cell parameters: 5.7; 5.7; 14; 90; 90; 120;  

COD ID: 1534906
CIF file Formula: - Ba4 Cu6 O13 Y2 -
Comments: Simon, A.; Truebenbach, K.; Borrmann, H. Single crystal X-ray structure analysis of yttrium barium copper oxide (YBa2Cu3O6.5) Journal of Solid State Chemistry 106 (1993) 128-133
Space group: P m m m
Cell volume: 347.917
Cell parameters: 7.655; 3.873; 11.735; 90; 90; 90;  

COD ID: 1536646
CIF file Formula: - Br17 Nb6 Rb3 S -
Comments: Womelsdorf, H.; Meyer, H.J. Rb3 (Nb6 S Br17), die erste Verbindung mit einem isolierten trigonal-prismatischen Niobcluster Angewandte Chemie (German Edition) 106 (1994) 2022-2023
Space group: C 1 2/c 1
Cell volume: 3033.44
Cell parameters: 17.124; 18.853; 9.397; 90; 90.77; 90;  

COD ID: 1538053
CIF file Formula: - Hf N2 Ta -
Comments: Gatterer, J.; Dufek, G.; Ettmayer, P.; Kieffer, R. Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 106 (1975) 1137-1147
Space group: F m -3 m
Cell volume: 88.717
Cell parameters: 4.46; 4.46; 4.46; 90; 90; 90;  

COD ID: 1538055
CIF file Formula: - N V -
Comments: Gatterer, J.; Ettmayer, P.; Dufek, G.; Kieffer, R. Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 106 (1975) 1137-1147
Space group: F m -3 m
Cell volume: 70.138
Cell parameters: 4.124; 4.124; 4.124; 90; 90; 90;  

COD ID: 1538058
CIF file Formula: - N Zr -
Comments: Gatterer, J.; Dufek, G.; Ettmayer, P.; Kieffer, R. Das kubische Tantalmononitrid (B 1-Typ) und seine Mischbarkeit mit den isotypen Uebergangsmetallnitriden und-carbiden Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 106 (1975) 1137-1147
Space group: F m -3 m
Cell volume: 95.946
Cell parameters: 4.578; 4.578; 4.578; 90; 90; 90;  

COD ID: 1544623
CIF file Formula: - Fe0.35 Mg1.64 O4 Si -
Comments: Ejima, T.; Akasaka, M.; Ohfuji, H. Oxidation state of Fe in olivine in a lherzolite xenolith from Oku district, Oki-Dogo island, Shimane Prefecture, Japan Journal of Mineralogical and Petrological Sciences 106 (2011) 246-254
Space group: P b n m
Cell volume: 293.269
Cell parameters: 4.7673; 10.2492; 6.0021; 90; 90; 90;  

COD ID: 1568977
CIF file Formula: - Co Na O P Sr -
Comments: Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A. Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2 Physical Review B 106(5) (2022) 054415-1
Space group: P 1 21/a 1
Cell volume: 656.131
Cell parameters: 9.20152; 5.265935; 13.54116; 90; 90.0661; 90;  

COD ID: 4124313
CIF file Formula: - C16 O16 Os6 S4 -
Comments: Adams, R.D.; Horvath, I.T. Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity, and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2) Journal of the American Chemical Society 106 (1984) 1869-1871
Space group: P 1 21/n 1
Cell volume: 2917.25
Cell parameters: 13.88; 12.061; 18.168; 90; 106.43; 90;  

COD ID: 4124314
CIF file Formula: - C8 H2 O8 Os3 S2 -
Comments: Adams, R.D.; Horvath, I.T. Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2) Journal of the American Chemical Society 106 (1984) 1869-1871
Space group: C 1 2/c 1
Cell volume: 1500.63
Cell parameters: 12.019; 12.323; 11.217; 90; 115.41; 90;  

COD ID: 4124319
CIF file Formula: - B12 H16 -
Comments: Brewer, C.T.; Grimes, R.N. Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane Journal of the American Chemical Society 106 (1984) 2722-2723
Space group: P n a 21
Cell volume: 1053.58
Cell parameters: 10.686; 8.686; 11.351; 90; 90; 90;  

COD ID: 4124423
CIF file Formula: - C4 H17 F12 O20 S4 V -
Comments: Cotton, F.A.; Lewis, G.E.; Fair, C.K.; Williams, J.M.; Mott, G.N.; Ross, F.K.; Schultz, A.J. Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4 Journal of the American Chemical Society 106 (1984) 5319-5323
Space group: P -1
Cell volume: 666.351
Cell parameters: 8.95; 9.112; 8.928; 103.38; 93.75; 70.19;  

COD ID: 4124424
CIF file Formula: - C4 H17 F12 O20 S4 V -
Comments: Cotton, F.A.; Mott, G.N.; Fair, C.K.; Lewis, G.E.; Schultz, A.J.; Ross, F.K.; Williams, J.M. Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4 Journal of the American Chemical Society 106 (1984) 5319-5323
Space group: P -1
Cell volume: 637.985
Cell parameters: 8.942; 8.902; 8.774; 103.4; 95.2; 69.9;  

COD ID: 4124435
CIF file Formula: - C16 Ir6 O16 -
Comments: Garlaschelli, L.; Martinengo, S.; Bellon, P.L.; Demartin, F.; Chiang, M.Y.; Manassero, M.; Wei, C.Y.; Bau, R. Structures of Two Isomers of Ir6 (C O)16 Journal of the American Chemical Society 106 (1984) 6664-6667
Space group: C 1 2/c 1
Cell volume: 2406.16
Cell parameters: 16.656; 9.761; 16.776; 90; 118.09; 90;  

COD ID: 4124436
CIF file Formula: - C16 Ir6 O16 -
Comments: Garlaschelli, L.; Martinengo, S.; Chiang, M.Y.; Bellon, P.L.; Demartin, F.; Manassero, M.; Bau, R.; Wei, C.Y. Structures of two isomers of Ir6 (C O)16 Journal of the American Chemical Society 106 (1984) 6664-6667
Space group: P 1 2/c 1
Cell volume: 2385.23
Cell parameters: 13.622; 12.807; 18.589; 90; 132.65; 90;  

COD ID: 4124463
CIF file Formula: - I14 K Zr6 -
Comments: Smith, J.D.; Corbett, J.D. A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization Journal of the American Chemical Society 106 (1984) 4618-4619
Space group: C m c a
Cell volume: 2966.9
Cell parameters: 15.933; 14.377; 12.952; 90; 90; 90;  

COD ID: 4124464
CIF file Formula: - I14 K0.46 Zr6 -
Comments: Smith, J.D.; Corbett, J.D. A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization Journal of the American Chemical Society 106 (1984) 4618-4619
Space group: C m c a
Cell volume: 2928.91
Cell parameters: 15.892; 14.288; 12.899; 90; 90; 90;  

COD ID: 6000657
CIF file Formula: - Br6 Li2 U -
Comments: Maletka, K.; Ressouche, E.; Rundlof, H.; Tellgren, R.; Delaplane, R.; Szczepaniak, W.; Zablocka-Malicka, M. Phase transitions in the ionic conductor Li2UBr6 studied by neutron diffraction Solid State Ionics 106 (1998) 55-69
Space group: P -3 1 m
Cell volume: 519.81
Cell parameters: 6.8893; 6.8893; 12.6462; 90; 90; 120;  

COD ID: 8103391
CIF file Formula: - Ag Cu S -
Comments: Frueh, A.J.jr. The crystal structure of stromeyerite, Ag Cu S : A possible defect structure Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 106 (1955) 299-307
Space group: C m c m
Cell volume: 216.046
Cell parameters: 4.06; 6.66; 7.99; 90; 90; 90;  

COD ID: 9008064
CIF file Formula: - Cu2 Se -
Comments: Borchert, W. Gitterumwandlungen im system Cu2-x Se Zeitschrift fur Kristallographie 106 (1945) 5-24
Space group: F -4 3 m
Cell volume: 199.177
Cell parameters: 5.84; 5.84; 5.84; 90; 90; 90;  

COD ID: 9008065
CIF file Formula: - Cu1.8 Se -
Comments: Borchert, W. Gitterumwandlungen im System Cu2-x Se Zeitschrift fur Kristallographie 106 (1945) 5-24
Space group: F -4 3 m
Cell volume: 188.034
Cell parameters: 5.729; 5.729; 5.729; 90; 90; 90;  

COD ID: 9008066
CIF file Formula: - Cu1.8 Se -
Comments: Borchert, W. Gitterumwandlungen im System Cu~2-x~Se Zeitschrift fur Kristallographie 106 (1945) 5-24
Space group: F -4 3 m
Cell volume: 188.034
Cell parameters: 5.729; 5.729; 5.729; 90; 90; 90;  

COD ID: 9008067
CIF file Formula: - Cu1.8 Se -
Comments: Borchert, W. Gitterumwandlungen im System Cu~2-x~Se Zeitschrift fur Kristallographie 106 (1945) 5-24
Space group: F -4 3 m
Cell volume: 188.034
Cell parameters: 5.729; 5.729; 5.729; 90; 90; 90;  

COD ID: 9009691
CIF file Formula: - As2 O3 -
Comments: Pertlik, F. Die kristallstruktur der monoklinen form von As2O3 (Claudetit II) Monatshefte fur Chemie 106 (1975) 755-762
Space group: P 1 21/n 1
Cell volume: 331.261
Cell parameters: 7.99; 4.645; 9.115; 90; 78.3; 90;  

COD ID: 9009714
CIF file Formula: - Al H15 O23 P2 U3 -
Comments: Piret, P.; Declercq, J.-P. Structure cristalline de l'upalite Al[(UO2)3O(OH)(PO4)2]*7H2O. Un exemple de macle mimetique Bulletin de Mineralogie 106 (1983) 383-389
Space group: P 1 21/a 1
Cell volume: 2001.36
Cell parameters: 13.704; 16.82; 9.332; 90; 111.5; 90;  

COD ID: 9009989
CIF file Formula: - Al2.165 Ca0.592 H20 K0.023 Mg0.023 Na0.09 O20.64 Si5.835 -
Comments: Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: large crystal, monoclinic Journal of Physical Chemistry B 106 (2002) 10277-10284
Space group: C 1 2/c 1
Cell volume: 4306.12
Cell parameters: 17.983; 17.966; 14.625; 90; 114.31; 90;  

COD ID: 9009990
CIF file Formula: - Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 -
Comments: Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths Journal of Physical Chemistry B 106 (2002) 10277-10284
Space group: P 41 2 2
Cell volume: 4247.12
Cell parameters: 12.634; 12.634; 26.608; 90; 90; 90;  

COD ID: 9012088
CIF file Formula: - H10 O22 Pb2 U5 -
Comments: Piret, P.; Deliens, M.; Piret-Meunier J; Germain, G. La sayrite, Pb2[(UO2)5O6(OH)2]*4H2O, nouveau mineral; proprietes et structure cristalline Locality: Shinkolobwe, Shaba, Zaire Bulletin de Mineralogie 106 (1983) 299-304
Space group: P 1 21/c 1
Cell volume: 966.323
Cell parameters: 10.704; 6.96; 14.533; 90; 116.81; 90;  

COD ID: 9017871
CIF file Formula: - Ca O3 Si -
Comments: Brenker, F. E.; Nestola, F.; Brenker, L.; Peruzzo, L.; Harris, J. W. Origin, properties, and structure of breyite: The second most abundant mineral inclusion in super-deep diamonds American Mineralogist 106 (2021) 38-43
Space group: P -1
Cell volume: 376.722
Cell parameters: 6.697; 9.2986; 6.6501; 83.458; 76.226; 69.581;  

COD ID: 9017872
CIF file Formula: - Al1.62 Ca0.22 Fe2.72 Mg3.36 Mn6.3 Na5.6 O48 P12 -
Comments: Yang, H.; Kobsch, A.; Gu, X.; Downs, R. T.; Xie, X. Zhanghuifenite, Na3Mn2+4Mg2Al(PO4)6, a new mineral isostructural with bobfergusonite, from the Santa Ana mine, San Luis province, Argentina American Mineralogist 106 (2021) 1009-1015
Space group: P 1 21/n 1
Cell volume: 1737.93
Cell parameters: 12.8926; 12.4658; 10.9178; 90; 97.92; 90;  


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