Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100084 | CIF | H2 Mg O8 S2 | P 1 21/n 1 | 7.299; 8.273; 4.94 90; 99.9; 90 | 293.9 | Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M Crystal structure of Mg (H S O~4~)~2~ Kristallografiya, 1986, 31, 1220-1221 |
| 1100085 | CIF | H6 Mg O16 S4 | P 1 21/c 1 | 5.091; 15.329; 7.882 90; 104.19; 90 | 596.3 | Troyanov, S I; Merinov, B V; Verin, I P; Kemnitz, E; Hass, D Crystal structure of acid magnesium sulphate Mg:SO~3~(OH):~2~:SO~2~(OH)~2~:~2~ Kristallografiya, 1990, 35, 852-855 |
| 1100086 | CIF | H4 Mg O9 S2 | P 1 21/n 1 | 8.623; 5.014; 15.428 90; 101.33; 90 | 654 | Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 596, 167-171 |
| 1100087 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.891; 7.624; 7.645 90; 117.683; 90 | 355.7 | Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G Affinement de la structure de la Kieserite Mg (S O4) (H2 O) Bulletin de la Societe Chimique de France (Vol=Year), 1970, 1970, 4243-4248 |
| 1100088 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.886; 7.61; 7.63 90; 117.72; 90 | 353.9 | Leonhardt, J; Weiss, R Das Kristallgitter des Kieserits Mg S O4 H2 O Naturwissenschaften, 1957, 44, 338-339 |
| 1100089 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.2 | Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1973, 1973, 816-821 |
| 1100090 | CIF | H8 Mg O8 S | P 1 21/n 1 | 5.922; 13.604; 7.905 90; 90.85; 90 | 636.8 | Baur, W. H. On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O Acta Crystallographica, 1964, 17, 863-869 |
| 1100091 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.2 | Baur, W H On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite) Acta Crystallographica (1,1948-23,1967), 1964, 17, 1361-1369 |
| 1100092 | CIF | ? | C 1 2/c 1 | 6.891; 7.624; 7.645 90; 117.68; 90 | 355.7 | Bregeault, J M; Herpin, P; Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year), 1972, 1972, 2247-2250 |
| 1100093 | CIF | ? | C 1 2/c 1 | 6.891; 7.624; 7.549 90; 116.25; 90 | 355.7 | Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 3863-3865 |
| 1100094 | CIF | ? | C 1 2/c 1 | 6.891; 7.624; 7.645 90; 117.7; 90 | 355.6 | Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1987, 157, 121-132 |
| 1100095 | CIF | H14 Mg6 O16 S | C c m m | 15.895; 3.105; 13.367 90; 90; 90 | 659.7 | Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T. Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction Acta Crystallographica B (39,1983-), 1996, 52, 266-269 |
| 1100096 | CIF | H10 Mg O9 S | P -1 | 6.314; 10.565; 6.03 81.12; 109.82; 105.08 | 364.4 | Baur, W. H.; Rolin, J. L. Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1972, 28, 1448-1455 |
| 1100097 | CIF | H8 Mg O8 S | P 1 21/n 1 | 5.922; 13.604; 7.905 90; 90.85; 90 | 636.8 | Baur, W. H. Zur Kristallchemie der Salzhydrate. Die Kristallstrukturen von MgSO~4~.4H~2~O (leonhardtit) und FeSO~4~.4H~2~O (rozenit) Acta Crystallographica, 1962, 15, 815-826 |
| 1100098 | CIF | ? | I 41/a m d :2 | 5.254; 5.254; 12.971 90; 90; 90 | 358.1 | Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N Vestnik Moskovskogo Universiteta, Geologiya, 1989, 5, 73-75 |
| 1100099 | CIF | H2 Mg3 O10 S2 | P 43 21 2 | 7.454; 7.454; 12.885 90; 90; 90 | 715.9 | Fleet, M. E.; Knipe, S. W. Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite Acta Crystallographica B (39,1983-), 1997, 53, 358-363 |
| 1100100 | CIF | ? | C 1 2/c 1 | 10.11; 7.212; 24.40999 90; 98.3; 90 | 1761.2 | Zalkin, A.; Ruben, H.; Templeton, D. H. The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate Acta Crystallographica (1,1948-23,1967), 1964, 17, 235-240 |
| 1100101 | CIF | H14 Mg O11 S | P 21 21 21 | 11.887; 12.013; 6.861 90; 90; 90 | 979.7 | Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M. Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms Acta Crystallographica Section B, 1984, 40, 218-222 |
| 1100102 | CIF | H2 Mg O4 S | P 1 21/n 1 | 4.699; 12.751; 5.618 90; 90.49; 90 | 336.6 | Buchmeier, W.; Engelen, B.; Müller, H. Kristallstruktur von MgSO~3~ * H~2~O Zeitschrift für Naturforschung B, 1998, 53, 131-134 |
| 1100103 | CIF | H12 Mg O9 S | R 3 :H | 8.83; 8.83; 9.075 90; 90; 120 | 612.8 | Flack, H Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 656-658 |
| 1100104 | CIF | Co La Mn O6 Sr | F m -3 m | 7.6891; 7.6891; 7.6891 90; 90; 90 | 454.6 | J. Androulakis; N. Katsarakis; J. Giapintzakis; N. Vouroutzis; E. Pavlidou; K. Chrissafis; E. K. Polychroniadis; V. Perdikatsis LaSrMnCoO6: A new cubic double perovskite oxide Journal of Solid State Chemistry, 2003, 173, 350-354 |
| 1100105 | CIF | As3 Fe2 Na3 O12 | I a -3 d | 12.25; 12.25; 12.25 90; 90; 90 | 1838.3 | no bibliography |
| 1100106 | CIF | ? | C2:b1 | 5.411; 9; 10.25 90; 100.3; 90 | 491.12 | Clay Montmorillonite |
| 1100108 | CIF | Fe | Im-3m | 2.8680182; 2.8680182; 2.8680182 90; 90; 90 | 23.59 | Fe-5Al-20Ni(5to)0.1 |
| 1100109 | CIF | ? | P 1 21/n 1 | 8.21338; 8.26806; 8.32806 90; 90.1443; 90 | 565.55 | no bibliography |
| 1100111 | CIF | B12 H12 N2 O12 | P 1 21/n 1 | 7.13566; 10.3924; 9.24771 90; 92.9905; 90 | 684.85 | Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind An Addition to the Oxoacid Family: H2B12(OH)12 Inorganic Chemistry, 2004, 43, 3786-3788 |
| 1100112 | CIF | Fe2 Ni0.5 O4 Zn0.5 | Fd-3m:1 | 8.4171; 8.417067; 8.417067 90; 90; 90 | 596.33 | no bibliography |
| 1100113 | CIF | C12 H38 Al F7 N4 O | P -1 | 6.3004; 12.691; 12.7423 90.966; 90.515; 94.351 | 1015.72 | Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V. Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In) Journal of Fluorine Chemistry, 2001, 110, 133-138 |
| 1100114 | CIF | C12 H38 F7 In N4 O | P -1 | 6.4714; 12.9203; 13.0843 90.16; 90.683; 94.138 | 1091.07 | Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V. Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In) Journal of Fluorine Chemistry, 2001, 110, 133-138 |
| 1100115 | CIF | C8 H22 Al F5 N2 | P 1 21 1 | 7.887; 5.502; 15.812 90; 112.03; 90 | 636.053 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100116 | CIF | C10 H26 Al F5 N2 | P 1 21 1 | 7.881; 5.489; 18.36 90; 112.21; 90 | 735.303 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100117 | CIF | C12 H30 Al F5 N2 | P 1 21 1 | 7.8713; 5.4739; 20.898 90; 112.422; 90 | 832.354 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100118 | CIF | C10 H36 Al2 F10 N4 O4 | P 1 21/n 1 | 8.493; 8.932; 13.434 90; 97.141; 90 | 1011.2 | Goreshnik, E.; Leblanc, M.; Maisonneuve, V. 1,4,8,11-Tetraazacyclodecane-1,4,8,11-tetraium bis(aquapentafluoroaluminate) dihydrate Acta Crystallographica, Section E: Structure Reports Online, 2003, 59, 1059-1061 |
| 1100119 | CIF | C6 H24 Al2 F10 N4 O | P -1 | 7.6996; 8.838; 12.197 105.87; 97.74; 106.317 | 745.8 | K. Adil; M. Leblanc; V. Maisonneuve [H~4~tren].(Al~2~F~10~).H~2~O Acta Crystallographica, Section E, 2004, 60, m1379-m1381 |
| 1100120 | CIF | C2 Ba2 Co F2 O6 | P b c a | 6.6226; 11.494; 9.021 90; 90; 90 | 686.68 | Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences, 2002, 4, 503-506 |
| 1100121 | CIF | C Ba F2 Mn O3 | P 63/m | 4.912; 4.912; 9.919 90; 90; 120 | 207.26 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
| 1100122 | CIF | C Ba F2 O3 Zn | P 63/m | 4.8523; 4.8523; 9.854 90; 90; 120 | 200.93 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
| 1100123 | CIF | C21 H31 I O4 | P -1 | 6.15; 12.32; 14.549 91.7; 90.51; 93.21 | 1100.07 | A. Martel; V. Maisonneuve; E. Brown; G. Dujardin Synthesis, 2003, 539-544 |
| 1100124 | CIF | C26 H22 N9 O11 Pr | P -1 | 7.78; 11.326; 17.873 90.61; 96.13; 103.19 | 1523.6 | no bibliography |
| 1100126 | CIF | F12 K2 O Zr3 | R -3 m :H | 7.6887; 7.6887; 28.87 90; 90; 120 | 1478.03 | Saada, M.A.; Hemon-Ribaud, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. K2 Zr3 O F12: microwave-assisted hydrothermal synthesis and powder diffraction study Acta Crystallographica E, Structure Reports Online, 2003, 59, i131-i133 |
| 1100127 | CIF | C2 F Na2 O6 Yb | C 1 2/c 1 | 17.44; 6.1003; 11.2366 90; 95.64; 90 | 1189.67 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
| 1100128 | CIF | C2 F2 Na3 O6 Yb | C 1 c 1 | 7.127; 29.816; 6.928 90; 112.56; 90 | 1359.54 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
| 1100129 | CIF | C4 Na5 O12 Y | P 1 21/c 1 | 12.209; 10.085; 8.783 90; 90.39; 90 | 1081.41 | Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O) Journal of Alloys Compd., 2003, 349, 114-120 |
| 1100130 | CIF | C4 H4 Na5 O14 Yb | P -4 21 c | 7.593; 7.593; 11.528 90; 90; 90 | 664.63 | Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O) Journal of Alloys Compd., 2003, 349, 114-120 |
| 1100131 | CIF | B4 H12 Na O13 Rb | P 1 21/c 1 | 8.1138; 11.471; 12.8233 90; 91.91; 90 | 1192.85 | Ben Ali, A.; Smiri, L.; Maisonneuve, V. Crystal structure of Na Rb B4 O5 (O H)4 * 4(H2 O): comparison with other tetraborate hydrates Journal of Alloys and Compounds, 2001, 322, 153-159 |
| 1100132 | CIF | Ni Ti | Pm-3m | 3.015; 3.015; 3.015 90; 90; 90 | 27.41 | no bibliography |
| 1100133 | CIF | C14 H20 Cl4 N2 Zn | P -1 | 7.119; 11.532; 12.49 107.14; 95.43; 92.03 | 973.3 | Rademeyer, M. Bis(p-toluidinium) tetrachlorozincate(II) Acta Crystallographica Section E, 2005, 61, m304-m306 |
| 1100134 | CIF | C18 H22 Cu N2 O6 | C 1 2/c 1 | 16.514; 11.1559; 11.2834 90; 115.974; 90 | 1868.8 | Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)' Polyhedron, 2001, 20, 899-904 |
| 1100135 | CIF | C16 H18 Cu N2 O6 | C 1 2/m 1 | 14.443; 11.2031; 5.3902 90; 104.854; 90 | 843 | Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)' Polyhedron, 2001, 20, 899-904 |
| 1100136 | CIF | Ag | F m -3 m | 4.0855; 4.0855; 4.0855 90; 90; 90 | 68.2 | Spreadborough, J; Christian, J W High-temperature X-ray diffractometer Journal of Scientific Instruments, 1959, 36, 116-118 |
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