Crystallography Open Database
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Searching journal of publication like 'Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem.'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000028 | CIF | Al6 Cl2 Na8 O24 Si6 | P -4 3 n | 8.875; 8.875; 8.875 90; 90; 90 | 699 | Hassan, I.; Grundy, H. D. The Crystal Structures of Sodalite-Group Minerals Acta Crystallographica, Section B: Structural Science, 1984, 40, 6-13 |
| 1000039 | CIF | Al6 Ca9 O18 | P a -3 | 15.263; 15.263; 15.263 90; 90; 90 | 3555.7 | Mondal, P; Jeffery, J W The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 689-697 |
| 1000040 | CIF | Al0.6 Ca2 Fe1.4 O5 | I b m 2 | 5.588; 14.61; 5.38 90; 90; 90 | 439.2 | Colville, A A; Geller, S Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~ Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3196-3200 |
| 1000049 | CIF | K2 O4 S | P 63/m m c | 5.947; 5.947; 8.375 90; 90; 120 | 256.5 | Miyake, M; Morikawa, H; Iwai, S I Structure Reinvestigation of the High-Temperature Form of K~2~ S O~4~ Acta Crystallographica B (24,1968-38,1982), 1980, 36, 532-536 |
| 1000051 | CIF | K N O3 | R 3 m :H | 5.487; 5.487; 9.156 90; 90; 120 | 238.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
| 1000058 | CIF | O2 Ru | P 42/m n m | 4.4968; 4.4968; 3.1049 90; 90; 90 | 62.8 | Bolzan A A; Fong C; Kennedy B J; Howard C J Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 1000060 | CIF | Al2 O5 Ti | B b m m | 9.429; 9.636; 3.591 90; 90; 90 | 326.3 | Morosin, B; Lynch, R W Structure studies on Al~2~ Ti O~5~ at room temperature and at 600C Acta Crystallographica B (24,1968-38,1982), 1972, 28, 1040-1046 |
| 1000062 | CIF | O2 Sn | P 42/m n m | 4.738; 4.738; 3.1865 90; 90; 90 | 71.5 | Baur, W H; Khan, A A Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2133-2139 |
| 1000064 | CIF | Fe2 O4 Si | P b n m | 4.8195; 10.4788; 6.0873 90; 90; 90 | 307.4 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray Determination of Electron Distributions in Forsterite, Fayalite and Tephroite Acta Crystallographica B (24,1968-38,1982), 1981, 37, 513-518 |
| 1000157 | CIF | Cr F6 Mn Na | P 3 2 1 | 8.993; 8.993; 5.003 90; 90; 120 | 350.4 | Courbion, G; Jacoboni, C; de Pape, R La structure cristalline de Na Mn Cr F~6~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1405-1408 |
| 1000158 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.586; 6.291; 7.381 90; 115.46; 90 | 360 | Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A La structure cristalline de Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1409-1413 |
| 1000159 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
| 1000160 | CIF | Cr F5 Mn | C 1 2/c 1 | 8.856; 6.291; 7.381 90; 115.46; 90 | 371.3 | Ferey, G; de Pape, R; Boucher, B Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1084-1091 |
| 1000161 | CIF | Cr F5 Rb2 | P n m a | 7.515; 5.724; 11.985 90; 90; 90 | 515.5 | Jacoboni, C; de Pape, R; Poulain, M; le Marouille, J Y; Grandjean, D La structure cristalline de Rb~2~ Cr F~5~ Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2688-2691 |
| 1000162 | CIF | F3 Fe K0.6 | P b a 2 | 12.75; 12.637; 3.986 90; 90; 90 | 642.2 | Hardy, A.-M.; Hardy, A.; Ferey, G. Structure cristalline du bronze pseudo-quadratique K~0.6~ Fe F~3~: Transition pyrochlore-quadratique pour les composes K M M'~6~ Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1654-1658 |
| 1000163 | CIF | F Nb2 O5 Tl | F d -3 m :2 | 10.506; 10.506; 10.506 90; 90; 90 | 1159.6 | Fourquet, J L; Jacoboni, C; de Pape, R Localisation des ions mobiles Tl(I) dans le conducteur ionique Tl Nb~2~ O~5~ F de type pyrochlore Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1570-1573 |
| 1000166 | CIF | Al F4 K | P 4/m b m | 5.043; 5.043; 6.164 90; 90; 90 | 156.8 | Mouet, J; Pannetier, J; Fourquet, J L The Room-Temperature Structure of Potassium Tetrafluoroaluminate Acta Crystallographica B (24,1968-38,1982), 1981, 37, 32-34 |
| 1000181 | CIF | Al F5 H4 Hg2 O2 | I 4 c m | 9.353; 9.353; 7.241 90; 90; 90 | 633.4 | Fourquet, J L; Plet, F; de Pape, R The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate Acta Crystallographica B (24,1968-38,1982), 1981, 37, 2136-2138 |
| 1000428 | CIF | Ba0.86 Ca2 In6 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
| 1000429 | CIF | Ba0.83 Ca2.1 In6 O12 | P 3 | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
| 1000492 | CIF | Al3 Cs2 F12 Na | R -3 m :R | 7.31; 7.31; 7.31 57.45; 57.45; 57.45 | 260 | Courbion, G; Jacoboni, C; de Pape, R Structure cristalline de Cs2 Na Al3 F12 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 3190-3193 |
| 1001001 | CIF | Ge4 O9 Rb2 | P -3 c 1 | 12.08; 12.08; 9.86 90; 90; 120 | 1246.1 | Goreaud, M; Raveau, B Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1536-1540 |
| 1001002 | CIF | Ge3 O9 Rb2 Ti | P -3 c 1 | 12.19; 12.19; 10.14 90; 90; 120 | 1304.9 | Goreaud, M; Raveau, B Structure cristalline de Rb~2~ Ge~4~ O~9~ et Rb~2~ Ti Ge~3~ O~9~ de type tetragermanate et etude structurale comparee de germanates en anneaux Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1536-1540 |
| 1001003 | CIF | Ca H2.47 N2 O7.235 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.8 | Leclaire, A Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N O~3~)~2~ (H~2~ O)~1.235~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1950-1953 |
| 1001004 | CIF | B2 Nb O6 Rb | P n 1 1 | 19.64; 9.449; 7.389 90; 90; 90 | 1371.2 | Baucher, A; Gasperin, M; Cervelle, B Rb Nb B~2~ O~6~: structure de la maille multiple et proprietes optiques Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2211-2215 |
| 1001005 | CIF | H3 Nb33 O90 Tl10.5 | R -3 m :H | 7.51; 7.51; 43.29 90; 90; 120 | 2114.5 | Gasperin, M Synthese d'une nouvelle famille d'oxydes doubles: A~8~^+^ B~22~^5+^ O~59~ structure du compose a thallium et niobium Acta Crystallographica B (24,1968-38,1982), 1977, 33, 398-402 |
| 1001006 | CIF | B2 K3 O12 Ta3 | P 3 1 m | 8.775; 8.775; 3.897 90; 90; 120 | 259.9 | Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1841-1845 |
| 1001007 | CIF | B2 K3 Nb3 O12 | P 3 1 m | 8.753; 8.753; 3.966 90; 90; 120 | 263.1 | Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1841-1845 |
| 1001008 | CIF | B2 K3 Nb3 O12 | P 3 1 m | 34.01; 34.01; 3.966 90; 90; 120 | 3972.8 | Choisnet, J; Groult, D; Raveau, B; Gasperin, M Nouvelles structures a tunnels de section pentagonale K~3~ Nb~3~ B~2~ O~12~ et K~3~ Ta~3~ B~2~ O~12~ Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1841-1845 |
| 1001009 | CIF | Nb2 O6 Pb | B b 21 m | 35.292; 17.943; 7.746 90; 90; 90 | 4905.1 | Labbe, P; Frey, M; Raveau, B; Monier, J C Structure cristalline de la phase ferroelectrique du niobate de plomb Pb Nb~2~ O~6~ . Deplacements des atomes metalliques et interpretation de la surstructure Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2201-2212 |
| 1001010 | CIF | Nb3.09 O8.22 Tl | C 2 2 21 | 7.551; 13.005; 7.734 90; 90; 90 | 759.5 | Gasperin, M Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2306-2308 |
| 1001011 | CIF | Br2 Ca H12 O6 | P 3 2 1 | 8.164; 8.164; 4.016 90; 90; 120 | 231.8 | Leclaire, A; Borel, M M Le dichlorure et le dibromure de calcium hexahydrates Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2938-2940 |
| 1001019 | CIF | Ca Cl H4 N O5 | P b c a | 9.052; 6.676; 19.797 90; 90; 90 | 1196.4 | Leclaire, A; Borel, M M Identification et structure du chlorure nitrate de calcium dihydrate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 902-904 |
| 1001020 | CIF | O3 Rb0.28 W | P 63/m c m | 7.3875; 7.3875; 7.5589 90; 90; 120 | 357.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1433-1438 |
| 1001021 | CIF | O3 Tl0.3 W | P 63/m c m | 7.381; 7.381; 7.5091 90; 90; 120 | 354.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ WO~3~ de type bronze hexagonal. I. Analyse structurale des bronzes de composition M~0.30~ W O~3~ . Stereochimie des elements M=Rb, Tl et In Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1433-1438 |
| 1001022 | CIF | La2 O7 Ti2 | P 1 1 21 | 7.8; 13.011; 5.546 90; 90; 98.6 | 556.5 | Gasperin, M Dititanate de lanthane Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2129-2130 |
| 1001024 | CIF | B2 Nb O6 Tl | P n 21 a | 7.82; 9.46; 7.4 90; 90; 90 | 547.4 | Gasperin, M Synthese et structure d'un oxyde multiple d'un type nouveau: Tl Nb B~2~ O~6~ Acta Crystallographica B (24,1968-38,1982), 1974, 30, 1181-1183 |
| 1001025 | CIF | Cd Cl4 H6 Na2 O3 | R -3 m :H | 7.89; 7.89; 26.52 90; 90; 120 | 1429.7 | Boistelle, R; Pepe, G; Simon, B; Leclaire, A Structure cristalline du sel mixte Cd Cl~2~ (Na Cl)~2~ (H~2~ O)~3~ Acta Crystallographica B (24,1968-38,1982), 1974, 30, 2200-2203 |
| 1001032 | CIF | Nb2 O6 Pb | C m 2 m | 17.65; 17.92; 3.87 90; 90; 90 | 1224 | Labbe, P; Frey, M; Allais, G Nouvelles donnes structurales sur la variete ferroelectrique du metaniobate de plomb Pb Nb~2~ O~6~ Acta Crystallographica B (24,1968-38,1982), 1973, 29, 2204-2210 |
| 1001037 | CIF | Nb7 O18.25 Tl0.96 | P 4/m b m | 27.5; 27.5; 3.94 90; 90; 90 | 2979.6 | Bhide, V; Gasperin, M A new GTB-type thallium niobate Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1318-1321 |
| 1001038 | CIF | F6 Na2 U | P 3 | 6.112; 6.112; 7.24 90; 90; 120 | 234.2 | Cousson, A; Tabuteau, A; Pages, M; Gasperin, M Disodium uranium(IV) fluoride Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1198-1200 |
| 1001039 | CIF | In0.17 O3 W | P 63/m c m | 7.3762; 7.3762; 7.4983 90; 90; 120 | 353.3 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001040 | CIF | In0.15 O3 W | P 63/m c m | 7.3824; 7.3824; 7.5082 90; 90; 120 | 354.4 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001041 | CIF | In0.18 O3 W | P 63/m c m | 7.3888; 7.3888; 7.5007 90; 90; 120 | 354.6 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001042 | CIF | In0.21 O3 W | P 63/m c m | 7.3883; 7.3883; 7.5065 90; 90; 120 | 354.9 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001043 | CIF | In0.24 O3 W | P 63/m c m | 7.3837; 7.3837; 7.5012 90; 90; 120 | 354.2 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001044 | CIF | In0.28 O3 W | P 63/m c m | 7.3673; 7.3673; 7.502 90; 90; 120 | 352.6 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001045 | CIF | In0.3 O3 W | P 63/m c m | 7.375; 7.375; 7.5009 90; 90; 120 | 353.3 | Labbé, P.; Goreaud, M.; Raveau, B.; Monier, J. C. Etude comparative des structures M~x~ W O~3~ de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001046 | CIF | In0.31 O3 W | P 63/m c m | 7.3716; 7.3716; 7.5038 90; 90; 120 | 353.1 | Labbe, P H; Goreaud, M; Raveau, B; Monier, J C Etude comparative des structures M~x~ W O~3~ de tyoe bronze hexagonal. II. Evolution structurale dans la serie des bronzes In~x~ W O~3~ (x equals a number between 0.12 and 0.33) Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1557-1564 |
| 1001047 | CIF | F29 Na3 Th6 Zn | P 3 2 1 | 10.116; 10.116; 13.255 90; 90; 120 | 1174.7 | Cousson, A; Tabuteau, A; Pages, M; Gasperin, M Fluorure complexe de thorium, sodium et zinc Acta Crystallographica B (24,1968-38,1982), 1979, 35, 2674-2676 |
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