Crystallography Open Database

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9003495 CIFAg TeP m n b8.882; 20.1; 4.614
90; 90; 90
823.729Bindi, L.; Spry, P. G.; Cipriani, C.
Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA: Composition, physical properties, and determination of the crystal structure
American Mineralogist, 2004, 89, 1043-1047
9002584 CIFAg2 As2.03 S6 Sb0.97 TlP m n b12.418; 15.427; 5.6895
90; 90; 90
1089.95Graeser, S.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T
Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal, Switzerland): Description and structure determination Locality: Legenbach quarry, Binnatal, Switzerland
American Mineralogist, 2001, 86, 1087-1093
9016073 CIFAl0.706 Ca0.154 H3.27 Na0.592 O5.635 Si1.294P m n b10.1035; 9.7819; 10.1523
90; 90; 90
1003.37Gatta, G. D.; Birch, W. D.; Rotiroti, N.
Reinvestigation of the crystal structure of the zeolite gobbinsite: a single-crystal x-ray diffraction study
American Mineralogist, 2010, 95, 481-486
1511469 CIFB4 Ba O7P m n b10.994; 9.017; 4.3073
90; 90; 90
426.995Schnick, W.; Knyrim, J.S.; Roemer, S.R.; Huppertz, H.
High pressure synthesis and characterization of the alkaline earth borate beta-Ba B4 O7
Solid State Sciences, 2009, 11, 336-342
1540013 CIFBa Cd O2P m n b3.66; 6.168; 11.95
90; 90; 90
269.77von Schnering, H.G.
Die Kristallstruktur des Ba Cd O2
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1962, 314, 144-155
2002531 CIFBa O4 Tl VP m n b5.8894; 7.889; 10.3969
90; 90; 90
483.1Boje, J; Mueller-Buschbaum, H
Zur Kenntnis von Ba Tl V O4 und Sr Tl V O4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 611, 137-140
1540392 CIFBa0.1 O4 Si Sr1.9P m n b5.674; 7.086; 9.745
90; 90; 90
391.81Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing
Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties
CrystEngComm, 2015, 17, 9123
1540393 CIFBa0.15 N O4 Si Sr2.85P m n b5.6796; 7.1386; 9.7639
90; 90; 90
395.87Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing
Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties
CrystEngComm, 2015, 17, 9123
2018698 CIF
HKL
Paper
Ba1.01 O7 P2 Sr0.99P m n b5.581; 9.202; 13.561
90; 90; 90
696.44Edhokkar, Fadhila; Hadrich, Ahmed; Graia, Mohsen; Mhiri, Tahar
Ba~1.01~Sr~0.99~P~2~O~7~: un nouveau site Ba^2+^ révélé par diffraction des rayons X
Acta Crystallographica Section C, 2012, 68, i86-i88
1524824 CIFBi F4 TlP m n b3.91; 6.51; 7.59
90; 90; 90
193.197Lucat, C.; Portier, J.; Sorbe, P.; Reau, J.M.; Hagenmuller, P.
Synthese et etude de la conductivite anionique de nouveaux electrolytes M Bi F4 (M= K, Rb, Tl)
Materials Research Bulletin, 1977, 12, 145-150
1530124 CIFBi3 Cs S5P m n b4.0644; 12.098; 21.098
90; 90; 90
1037.41Kanishcheva, A.S.; Lazarev, B.V.; Mikhailov, Yu.N.; Trippel, A.F.
A new cesium sulfobismuthite Cs Bi3 S5. Synthesis and structure containing extensive channels
Doklady Akademii Nauk SSSR, 1980, 252, 96-99
7234501 CIFBr14 Ce4 Cs2P m n b7.571; 13.666; 13.86
90; 90; 90
1434Yuntao Wu; Hongliang Shi; Bryan C. Chakoumakos; Mariya Zhuravleva; Mao-Hua Du; Charles L. Melcher
Crystal structure, electronic structure, temperature-dependent optical and scintillation properties of CsCe2Br7
Journal of Materials Chemistry C, 2015, 3, 11366-11376
2107416 CIFBr2 S7 TeP m n b8.858; 9.479; 13.344
90; 90; 90
1120.43Weiss, J.; Pupp, M.
Mitteilungen ueber Interchalkogen-Verbindungen. II. Die Kristall- und Molekuelstrukturen von 8,8-Dichlor-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Cl2 Te S7 und von 8,8-Dibrom-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Br2 Te S7
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3653-3655
9009531 CIFC Ca2 O16 Si4 Y2P m n b12.93; 14.3; 6.73
90; 90; 90
1244.37Volodina, G. F.; Rumanova, I. M.; Belov, N. V.
Crystal structure of kaynozite Ca2(Y,Tr)2[Si4O12]CO3*H2O Note: z(O3) adjusted to match reported bond lengths
Doklady Akademii Nauk SSSR, 1963, 149, 173-175
1541970 CIFC H12 Br Co N4 O3P m n b7.629; 16.886; 6.76
90; 90; 90
870.845Haagensen, C.O.; Rasmussen, S.E.
Accuracy of a Crystal Structure Determination. The Structure of Carbonato-Tetraammine-Cobalt(III) Bromide
Acta Chemica Scandinavica (1-27,1973-42,1988), 1963, 17, 1630-1634
9009358 CIFC H2 Ca2 O16 Si4 Y2P m n b13.011; 14.31; 6.757
90; 90; 90
1258.07Giuseppetti, G.; Tadini, C.; Oddone, M.
Cenosite-(Y) from Baveno, Novara (Italy): crystal structure
Neues Jahrbuch fur Mineralogie, Monatshefte, 1989, 1989, 153-164
7227817 CIFC H7 Cu N3 O5P m n b7.1767; 7.3661; 12.3418
90; 90; 90
652.44Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.
Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties
CrystEngComm, 2017, 19, 1831
7051743 CIFC11 H12 I N O4 SP m n b8.2428; 9.1428; 17.6493
90; 90; 90
1330.09Dolenc, Darko; Modec, Barbara
EDA Complexes of N-halosaccharins with N- and O-donor ligands
New Journal of Chemistry, 2009, 33, 2344
7034625 CIFC11 H12 N2 O5 SrP m n b18.2674; 7.3169; 9.9574
90; 90; 90
1330.91Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua
Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8190-8197
7235276 CIFC11 H6 O2 S5P m n b10.892; 8.013; 14.444
90; 90; 90
1260.6Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng
Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]
RSC Advances, 2013, 3, 10193
4335580 CIFC12 Ca N2 O13 P4P m n b22.2105; 10.8441; 8.6118
90; 90; 90
2074.18Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza
Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids
Inorganic Chemistry, 2013, 52, 8770-8783
4115332 CIFC12 H14 B2 D12 N18 Ni O6P m n b10.8517; 20.919; 11.6959
89.995; 90; 89.998
2655Christoph Janiak; Tobias G. Scharmann; Sax A. Mason
Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K
Journal of the American Chemical Society, 2002, 124, 14010-14011
4335579 CIFC12 Mg N2 O13 P4P m n b22.2825; 10.031; 8.55695
90; 90; 90
1912.61Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza
Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids
Inorganic Chemistry, 2013, 52, 8770-8783
4335582 CIFC12 N2 O13 P4 ZnP m n b22.3117; 10.0175; 8.6021
90; 90; 90
1922.63Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza
Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids
Inorganic Chemistry, 2013, 52, 8770-8783
7033130 CIFC15 H12 N O39 Zr6P m n b10.0497; 19.9849; 19.7712
90; 90; 90
3970.89Liang, Weibin; Babarao, Ravichandar; Murphy, Michael J.; D'Alessandro, Deanna Michelle
The First Example of a Zirconium-Oxide Based Metal-Organic Framework Constructed from Monocarboxylate Ligands
Dalton Transactions, 2015, 44, 1516-1519
7050595 CIFC15 H26 Cl2 Cu N4 O4P m n b9.452; 11; 19.359
90; 90; 90
2012.79Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada
Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes
New J. Chem., 2003, 27, 1132-1139
2005101 CIF
Paper
C16 H2 O16 Os5P m n b10.5672; 15.9577; 14.5196
90; 90; 90
2448.4Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.
[Os~5~(μ-H)~2~(CO)~16~]: a Second Crystal Form
Acta Crystallographica Section C, 1996, 52, 1607-1609
2003598 CIFC19 H26 Cl2 TiP m n b16.881; 12.659; 9.201
90; 90; 90
1966.5Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.
syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium
Acta Crystallographica Section C, 1995, 51, 1063-1064
4076135 CIFC23 H33 Br3 Fe Ga N O2P m n b9.3702; 12.7059; 23.7617
90; 90; 90
2828.99Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.
Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors
Organometallics, 2005, 24, 5879
2100278 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.177; 12.785; 8.898
90; 90; 90
702.7Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100279 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1626; 12.757; 8.876
90; 90; 90
697.8Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100280 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1624; 12.757; 8.878
90; 90; 90
697.9Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100281 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1665; 12.763; 8.8814
90; 90; 90
699Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100282 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1739; 12.7594; 8.8831
90; 90; 90
699.77Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100283 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.2144; 12.7512; 8.8841
90; 90; 90
703.99Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
7105145 CIFC40 H68 I4 N8 Rh2P m n b15.2889; 15.9079; 20.8008
90; 90; 90
5059.1Krüger, Anneke; Neels, Antonia; Albrecht, Martin
Rhodium-mediated activation of an alkane-type C-H bond.
Chemical communications (Cambridge, England), 2009, 46, 315-317
2021702 CIF
HKL
Paper
C5 H7 N5 O5P m n b6.241; 13.726; 10.095
90; 90; 90
864.8Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria
Differences and similarities among hypoxanthinium nitrate hydrate structures
Acta Crystallographica Section C, 2019, 75
7204729 CIFC6 H5 Cl2 N OP m n b6.358; 8.744; 13.594
90; 90; 90
755.7Kalle I. Nättinen; Kari Rissanen
Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state
CrystEngComm, 2003, 5, 326-330
7237907 CIFC8 H20 Cl5 N2 SbP m n b8.5385; 11.0894; 17.9031
90; 90; 90
1695.19Ksiądzyna, 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
4128538 CIFC8 H24 Br7 Cs N2 Pb2P m n b39.342; 8.2081; 8.3092
90; 90; 90
2683.2Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua
Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.
Journal of the American Chemical Society, 2019, 141, 3812-3816
4303611 CIFC9 H11 Cr Mn N8P m n b7.7245; 13.609; 14.061
90; 90; 90
1478.1Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo
Consecutive Irreversible Single-Crystal to Single-Crystal and Reversible Single-Crystal to Glass Transformations and Associated Magnetism of the Coordination Polymer, [MnII(rac-pnH)(H2O)CrIII(CN)6].H2O
Inorganic Chemistry, 2009, 48, 10726-10736
4303612 CIFC9 H11 Cr Mn N8P m n b7.73; 13.627; 14.064
90; 90; 90
1481.5Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo
Consecutive Irreversible Single-Crystal to Single-Crystal and Reversible Single-Crystal to Glass Transformations and Associated Magnetism of the Coordination Polymer, [MnII(rac-pnH)(H2O)CrIII(CN)6].H2O
Inorganic Chemistry, 2009, 48, 10726-10736
2103118 CIF
Paper
C9 H12 O4P m n b10.471; 26.24; 6.434
90; 90; 90
1767.8Duncan, Laura L.; Patrick, Brian O.; Brock, Carolyn Pratt
Two phases of C~9~H~12~O~4~: why is the structure at 295K so complicated?
Acta Crystallographica, Section B: Structural Science, 2002, 58, 502-511
4332976 CIFC9 H20 Gd2 O19P m n b8.0896; 12.179; 20.433
90; 90; 90
2013.1Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties
Inorganic Chemistry, 2006, 45, 10585-10594
9004121 CIFCa0.01 Fe0.9 Mg0.03 Mn0.06 Na O4 PP m n b6.861; 8.987; 5.045
90; 90; 90
311.074Le Page, Y.; Donnay, G.
The crystal structure of the new mineral maricite, NaFePO4
The Canadian Mineralogist, 1977, 15, 518-521
9007616 CIFCa0.017 Fe0.614 Li0.301 Mg0.036 Mn0.333 Na0.014 O4 P0.965P m n b5.918; 10.037; 4.798
90; 90; 90
284.996Alberti, A.
Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4
Acta Crystallographica, Section B, 1976, 32, 2761-2764
1100023 CIFCa1.5 O4 Si Sr0.5P m n b5.647; 7.037; 9.644
90; 90; 90
383.2Catti, M.; Gazzoni, G.; Ivaldi, G.
Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis
Acta Crystallographica, Section B: Structural Science, 1984, 40, 537-544
1100024 CIFCa1.8 O4 Si Sr0.2P m n b5.647; 7.037; 9.644
90; 90; 90
383.2Catti, M.; Gazzoni, G.; Ivaldi, G.
Order-disorder in the α'-(Ca,Sr)~2~SiO~4~ solid solution: a structural and statistical-thermodynamic analysis
Acta Crystallographica, Section B: Structural Science, 1984, 40, 537-544
2106424 CIFCd Li2 O4 SiP m n b6.479; 10.715; 5.119
90; 90; 90
355.374Riekel, C.
Dilithium cadmium orthosilicate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2656-2657
9008046 CIFCl2 HgP m n b5.963; 12.735; 4.325
90; 90; 90
328.435Brakken, H.; Scholten, W.
Die kristallstruktur des quecksilberchlorids HgCl2
Zeitschrift fur Kristallographie, 1934, 89, 448-455

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