Crystallography Open Database

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1001022 CIFLa2 O7 Ti2P 1 1 217.8; 13.011; 5.546
90; 90; 98.6		556.5Gasperin, M
Dititanate de lanthane
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2129-2130
1501776 CIFC8 H13 N O5P 1 1 214.819; 9.239; 10.384
90; 90; 97.16		458.72Nishiyama, Yoshiharu; Noishiki, Yasutomo; Wada, Masahisa
X-ray Structure of Anhydrous β-Chitin at 1 Å Resolution
Macromolecules, 2011, 44, 950
1508508 CIFC8 H10 D3 N O5P 1 1 214.819; 9.239; 10.384
90; 90; 97.16		458.72Sawada, Daisuke; Nishiyama, Yoshiharu; Langan, Paul; Forsyth, V. Trevor; Kimura, Satoshi; Wada, Masahisa
Direct determination of the hydrogen bonding arrangement in anhydrous β-chitin by neutron fiber diffraction.
Biomacromolecules, 2012, 13, 288-291
1521730 CIFBi Co O5.8 Sr3P 1 1 215.2723; 5.3026; 24.006
90; 90; 90.59		671.098Pelloquin, D.; Hervieu, M.; Masset, A.C.; Maignan, A.; Michel, C.; Raveau, B.
A strontium-rich 2201-type cobaltite with a nonmodulated structure: Bi1-x Sr3+x Co O6-d
Journal of Solid State Chemistry, 1999, 148, 108-118
1526210 CIFCs2 Hg I4P 1 1 2111.3; 7.94; 8.46
90; 90; 110.45		711.211Pakhomov, V.I.; Fedorov, P.M.
Crystal structure of Cs2 Hg I4
Kristallografiya, 1971, 17, 942-946
1526400 CIFO68 P4 W20P 1 1 215.305; 6.551; 35.823
90; 90; 90.62		1244.89Roussel, P.; Labbe, P.; Leligny, H.; Groult, D.; Foury-Leylekian, P.; Pouget, J.P.
P4 W20 O68: a complex charge-density-wave modulated structure with an antiferroelectric-like lattice distortion
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2000, 62, 176-187
1527088 CIFO17 P6 Sr2P 1 1 217.158; 7.172; 13.025
90; 90; 105.26		645.09Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.G.; Lavrov, A.V.
Structure of crystals of strontium ultraphosphate Sr2 P6 O17
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 448-454
1529932 CIFBa4 O16 Si6P 1 1 2112.476; 13.962; 4.688
90; 90; 93.616		814.977Filipenko, O.S.; Pobedimskaya, E.A.; Ponomarev, V.I.; Belov, N.V.
Cristaline structure of synthetic barium silicate Ba4 Si6 O16 new band oxysilicic radical (Si6 O16)
Doklady Akademii Nauk SSSR, 1971, 196, 1337-1340
1530215 CIFEr K O12 P4P 1 1 217.285; 8.012; 8.444
90; 90; 91.96		492.566Krutik, V.M.; Pobedimskaya, E.A.; Pushcharovskii, D.Yu.; Belov, N.V.
Crystal structure of alpha-K Er (P O3)4
Doklady Akademii Nauk SSSR, 1980, 252, 607-610
1530455 CIFH12 In N O12 S2P 1 1 219.25; 10.597; 10.797
90; 90; 102.22		1034.37Mukhtarova, N.N.; Belov, N.V.; Rastsvetaeva, R.K.; Ilyukhin, V.V.
The hydrogen-bond system in ammonium indium sulphate tetrahydrate N H4 In (S O4)2 (H2 O)4
Doklady Akademii Nauk SSSR, 1979, 244, 892-896
1530542 CIFCs O12 P4 TbP 1 1 217.032; 8.705; 9.051
90; 90; 100		545.627Palkina, K.; Chibiskova, N.T.; Kuznetsova, V.G.; Maksimova, S.I.
Crystal structure of the compound Cs Tb (P O3)4
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1092-1095
1530596 CIFNa2 O8 Si3 ZnP 1 1 216.671; 6.418; 8.65
90; 90; 103.8		359.655Plakhov, G.F.; Belov, N.V.; Simonov, M.A.
The new form of the oxysilicate bond (Si3 O8) (infinitely large grids) in the crystal structure of Na2 Zn (Si3 O8)
Doklady Akademii Nauk SSSR, 1974, 215, 1109-1112
1530926 CIFF6 N4 O12 Rb4 Sb2P 1 1 2111.124; 11.63; 7.506
90; 90; 105.03		937.847Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.
Crystal structure of Rb3 Sb2 F6 (N O3)3 Rb N O3
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1706-1710
1530927 CIFF3 H12 N6 O9 SbP 1 1 219.559; 9.037; 7.429
90; 90; 101.08		629.789Udovenko, A.A.; Volkova, L.M.; Sigula, N.I.; Davidovich, R.L.
Crystal structure of ammonium trinitratotrifluoroantimonate(III)
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1711-1715
1534214 CIFBa H11.56 O17.78 P2 U2P 1 1 216.965; 6.964; 17.65
90; 90; 90		856.1Barinova, A.V.; Rastsvetaeva, R.K.; Sidorenko, G.A.; Chukanov, N.V.; Pasero, M.; Pushcharovskii, D.Yu.; Merlino, S.
The crystal structure of meta-uranocircite Ba (U O2)2 (P O4)2 (H2 O)6
Doklady Akad. Nauk, 2003, 389, 203-206
1535844 CIFF5 K2 SbP 1 1 2116.99; 27.719; 6.493
90; 90; 79.74		3008.96Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L.
X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure.
Kristallografiya, 1992, 37, 735-752
1536332 CIFCa9.94 O25.2 S3 Si3P 1 1 219.526; 9.506; 6.922
90; 90; 119.99		542.893Organova, N.I.; Rastsvetaeva, R.K.; Kuz'mina, O.V.; Fin'ko, V.I.; Arapova, G.A.; Litsarev, M.A.
Crystal structure of low-symmetry ellestadite in comparison with other apatitelike structures.
Kristallografiya, 1994, 39, 278-282
1541721 CIFF7 H12 N4 Nb OP 1 1 2114.62; 10.82; 5.56
90; 90; 111.7		817.198Pakhomov, V.I.; Kaidalova, T.A.; Il'in, E.G.; Buslaev, Yu.A.
Structure of the Hydrazonium Oxoheptafluoroniobate Complex
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1975, 1, 37-42
1542384 CIFC35 H46 O6P 1 1 219.7832; 24.3518; 27.7523
90; 90; 90		6611.7Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai
Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.
Organic letters, 2016, 18, 120-123
2002292 CIFCu0.5 Nb1.5 O3.7P 1 1 213.767; 5.073; 3.749
90; 90; 101.5		70.2Schweizer, M; Mueller-Buschbaum, Hk
Zur Kenntnis einer neuen ternaeren Phase Cu0.5 Nb1.5 O3.7
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1979, 34, 774-776
2002553 CIFAl2 Ba3 Fe2 Ga2 O12P 1 1 219.2129; 9.2129; 8.8212
90; 90; 120.01		648.3Rath, M; Mueller-Buschbaum, Hk
Ein neues Oxometallat mit aufgefuellter Tridymitstruktur: Ba3 Fe2 Ga2 Al2 O12
Journal of Alloys Compd., 1992, 189, L15-L17
2012071 CIF
Paper		F4 Mg SrP 1 1 217.8249; 7.493; 16.9248
90; 90; 105.041		958.34Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro
Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs
Acta Crystallographica Section C, 2001, 57, 784-786
2012413 CIF
Paper		Al O4 PP 1 1 215.08; 5.0748; 8.3009
90; 90; 119.625		186.023Graetsch, Heribert A.
Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data
Acta Crystallographica Section C, 2002, 58, i18-i20
2012414 CIF
Paper		Al O4 PP 1 1 215.0803; 5.0703; 8.2992
90; 90; 119.604		185.87Graetsch, Heribert A.
Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data
Acta Crystallographica Section C, 2002, 58, i18-i20
2100871 CIF
Paper		C46 H66 O8P 1 1 217.29; 14.817; 18.52
90; 90; 90.35		2000.4Kálmán, A.; Argay, G.; Zivanov-Stakić, D.; Vladimirov, S.; Ribár, B.
Novel observations on the `main-part' isostructuralism exhibited by various steroid molecules: structures of 5-androstene-3β,17β-diol monohydrate and a 1:2 adduct of digitoxigenin and digirezigenin
Acta Crystallographica Section B, 1992, 48, 812-819
2101288 CIF
Paper		C5 H30 Bi2 Cl11 N5P 1 1 2112.88; 13.916; 15.059
90; 90; 90.13		2699.1Carpentier, P.; Lefebvre, J.; Jakubas, R.
Structure of pentakis(methylammonium) undecachlorodibismuthate(III), [NH~3~(CH~3~)]~5~Bi~2~Cl~11~, at 130 K and mechanism of the phase transitions
Acta Crystallographica Section B, 1995, 51, 167-174
2102193 CIF
Paper		Cd2 O12 S3 Tl2P 1 1 2110.356; 10.35; 10.353
90; 90; 90.04		1109.7Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
Acta Crystallographica Section B, 2000, 56, 921-935
2103645 CIF
Paper		Be3 F12 K2 Mn2P 1 1 2110.069; 20.136; 10.0329
90; 90; 90.01		2034.2Guelylah, A.; Madariaga, G.; Petricek, V.; Breczewski, T.; Aroyo, M. I.; Bocanegra, E. H.
X-ray diffraction study of the phase transition of K~2~Mn~2~(BeF~4~)~3~: a new type of low-temperature structure for langbeinites
Acta Crystallographica Section B, 2001, 57, 221-230
2104401 CIF
Paper		C9 H11 N O2P 1 1 218.1883; 10.6394; 20.4761
90; 90; 99.37		1760.05Chan, Eric J.; Rae, A. David; Welberry, T. Richard
On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)
Acta Crystallographica Section B, 2009, 65, 509-515
2106718 CIFAs H14 Na3 O10 SP 1 1 216.708; 6.92; 12.681
90; 90; 91.85		588.337Palazzi, M.
Structure christalline de Na3 As O3 (H2 O)7
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 516-520
2106991 CIFCa2 Nb2 O7P 1 1 217.697; 13.385; 5.502
90; 90; 98.34		560.845Ishizawa, N.; Kimura, M.; Iwai, S.I.; Marumo, F.; Kawamura, T.
Compounds with perovskite-type slabs. III. The structure of a monoclinic modification of Ca2 Nb2 O7
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 763-766
2224854 CIF
HKL
Paper		Al6 Eu0.18 N42 O4 Si26 Sr5.82P 1 1 2114.7557; 7.4627; 9.0348
90; 90; 90		994.89Ishizawa, Nobuo; Kamoshita, Minami; Fukuda, Koichiro; Shioi, Kousuke; Hirosaki, Naoto
Sr~3~(Al~3+<i>x~</i>Si~13{-~<i>x</i>})(N~21{-~<i>x</i>}O~2+<i>x~</i>):Eu^2+^ (<i>x</i> σim 0): a monoclinic modification of Sr-sialon
Acta Crystallographica Section E, 2010, 66, i14
2237725 CIF
HKL
Paper		Nd2 O7 Ti2P 1 1 217.6747; 13.0025; 5.464
90; 90; 98.5165		539.242Ishizawa, Nobuo; Ninomiya, Keisuke; Sakakura, Terutoshi; Wang, Jun
Redetermination of Nd~2~Ti~2~O~7~: a non-centrosymmetric structure with perovskite-type slabs
Acta Crystallographica Section E, 2013, 69, i19
4085479 CIFC51 H46 Cl O P2 RhP 1 1 219.9844; 11.9608; 18.0342
90; 90; 77.3145		2101.1Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.
Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis
Organometallics, 2015, 34, 711
4101827 CIFC46 H30 N6 O8 Zn2P 1 1 2115.674; 18.118; 11.5857
90; 90; 90		3290.1Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp
Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block
Journal of the American Chemical Society, 2010, 132, 950-952
4114994 CIFC12 H14 O10P 1 1 217.784; 8.201; 10.38
90; 90; 96.55		658.3Yoshiharu Nishiyama; Paul Langan; Henri Chanzy
Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction
Journal of the American Chemical Society, 2002, 124, 9074-9082
4114995 CIFC12 H14 D10 O6P 1 1 217.784; 8.201; 10.38
90; 90; 96.55		658.3Yoshiharu Nishiyama; Paul Langan; Henri Chanzy
Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction
Journal of the American Chemical Society, 2002, 124, 9074-9082
4311829 CIFC12 O7 P2 ZnP 1 1 219.4993; 5.0445; 29.1309
90; 90; 91.946		1395.1M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield
Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives
Inorganic Chemistry, 2004, 43, 5283-5293
4312792 CIFC84 H84 Au2 F12 P10P 1 1 2124.385; 14.82; 46.175
90; 90; 90		16687Christopher J. Blake; Vernon C. Cook; Max A. Keniry; Heather J. Kitto; A. David Rae; Gerhard F. Swiegers; Anthony C. Willis; Johann Zank; S. Bruce Wild
Diastereoselectivity and Molecular Recognition in the Self-Assembly of Double-Stranded Dinuclear Metal Complexes of the Type [M2{(R*,S*)-tetraphos}2](PF6)2 (M = Ag and Au)
Inorganic Chemistry, 2003, 42, 8709-8715
4328620 CIFC160 H76 Cd2 I2 N12 S8P 1 1 2115.9638; 16.1658; 21.4127
90; 90; 90.424		5525.8Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya
Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}
Inorganic Chemistry, 2012, 51, 3420-3426
4346258 CIFC104 H66 Mn4 N4 O12 S4P 1 1 2110.6699; 35.774; 13.2056
90; 90; 90		5040.6Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala
Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.
Inorganic chemistry, 2015, 54, 8406-8414
4513375 CIFBa Mo2 O9 TeP 1 1 2114.55; 5.47; 17.4
90; 90; 89		1385Yu, Dehong; Sun, Dehui; Avdeev, Maxim; Wu, Qian; Tian, Xiangxin; Gu, Qinfen; Tao, Xutang
New High-Pressure Polymorph of the Nonlinear Optical Crystal BaTeMo2O9
Crystal Growth & Design, 2015, 15, 3110
7231797 CIFC6 H4 Br2 Mn N2P 1 1 213.8347; 7.258; 16.5477
90; 90; 93.41		459.74Heine, Miriam; Fink, Lothar; Schmidt, Martin U.
3-Cyanopyridine as a bridging and terminal ligand in coordination polymers
CrystEngComm, 2018, 20, 7556
7237906 CIFC8 H20 Cl5 N2 SbP 1 1 218.4941; 11.0389; 17.5977
90; 90; 90.1		1650.05Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard
Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)
Journal of Materials Chemistry C, 2019, 7, 10360
8103880 CIFCa9.97 Cl1.94 O24 P6P 1 1 219.632; 19.226; 6.765
90; 90; 119.94		1085.59Bauer, M.; Klee, W.E.
Induced ferrielectricity in chlorapatite
Zeitschrift fuer Kristallographie (149,1979-), 1993, 206, 15-24
8103889 CIFCa2.25 H3.5 O10 Si3P 1 1 216.69; 7.39; 22.76999
90; 90; 123.49		938.837Hamid, S.A.
The crystal structure of the 11Angs. natural tobermorite Ca2.25 (Si3 O7.5 (O H)1.5) (H2 O)
Zeitschrift fuer Kristallographie (149,1979-), 1981, 154, 189-198
9008430 CIFCa2.15 Ce2.85 F0.84 H O12.16 Si3P 1 1 219.5804; 9.5901; 6.9802
90; 90; 120.079		554.957Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: unannealed sample
Zeitschrift fur Kristallographie, 1993, 206, 233-246
9008431 CIFCa2.43 Ce2.57 F0.8 H O12.1 Si3P 1 1 219.4932; 9.4985; 6.9371
90; 90; 120.038		541.514Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: annealed sample
Zeitschrift fur Kristallographie, 1993, 206, 233-246
9008432 CIFCa0.2 F0.93 H Lu0.32 O12.07 Si3 Y4.48P 1 1 219.4216; 9.4138; 6.7639
90; 90; 120.028		519.389Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: unannealed sample Locality: Suishoyama, Japan
Zeitschrift fur Kristallographie, 1993, 206, 233-246
9008433 CIFCa0.23 F0.93 H Lu0.14 O12.07 Si3 Y4.63P 1 1 219.3619; 9.3636; 6.7306
90; 90; 120.012		510.903Noe D C; Hughes J M; Mariano A N; Drexler J W; Kato A
The crystal structure of monoclinic britholite-(Ce) and britholite-(Y) Note: annealed sample Locality: Suishoyama, Japan
Zeitschrift fur Kristallographie, 1993, 206, 233-246

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