Crystallography Open Database

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7239896 CIFC10.5 H4.5 Cd N1.5 O6C m c 2110.1522; 33.2337; 12.3547
90; 90; 90		4168.4Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios
New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems
CrystEngComm, 2020
7239998 CIFC11 H15 B O2C m c 2129.8653; 10.2827; 10.8622
90; 90; 90		3335.7Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi
An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte
RSC Advances, 2020, 10, 8780-8789
7240276 CIFC12 H14 N2 O2C m c 2130.5126; 9.6815; 7.3786
90; 90; 90		2179.7Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer
Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight
CrystEngComm, 2020
7240775 CIFC38 H28 O2 S3C m c 2165.1891; 7.4274; 5.7999
90; 90; 90		2808.23Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao
Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application
RSC Advances, 2020, 10, 24057-24062
7240907 CIFC68 H76 O24 Ti7C m c 2124.63; 19.1; 14.9
90; 90; 90		7009Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian
Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction
Green Chemistry, 2020, 22, 5325-5332
7241568 CIFC72 H114 N20 Ni12 O78 P2 W18C m c 2121.851; 21.0544; 16.796
90; 90; 90		7727.2Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu
Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties
CrystEngComm, 2020
7242915 CIFC17 H23 Cl2 N5 O ZnC m c 2114.177; 11.34; 12.075
90; 90; 90		1941.3Choe, Solhye; Lee, Hyosun; Nayab, Saira
Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands
RSC Advances, 2021, 11, 18840-18851
7246141 CIFC33 H26 Cd2 O11C m c 2127.4335; 18.9368; 12.766
90; 90; 90		6632Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla
On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation
CrystEngComm, 2023, 25, 1058-1066
7700864 CIFC52 H44 Cl7 Fe N4 SbC m c 2116.944; 34.231; 9.7978
90; 90; 90		5682.8Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.
Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 13820-13833
7701039 CIFC21 H12 Br2 Cu2 F12 N4C m c 2117.0895; 15.2842; 10.1011
90; 90; 90		2638.4Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika
Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15782-15794
7701255 CIFC6 H2 F6 N2 O2C m c 216.7891; 6.9057; 17.1652
90; 90; 90		804.76Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.
CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15236-15246
7701605 CIFC28 H28 I4 N2 PbC m c 2142.92; 8.7431; 8.6629
90; 90; 90		3250.8Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram
Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 14019-14026
7702883 CIFC21 H25 Cl2 Fe N9 O2C m c 2111.8184; 11.02252; 18.9571
90; 90; 90		2469.51Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.
Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 8024-8034
7704471 CIFC20.67 H18 Cl F3 N1.67 O3 S Sb0.67C m c 2122.579; 18.004; 17.445
90; 90; 90		7092Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.
Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7507-7513
7705096 CIFC36 H58 Br2 O2 TiC m c 2116.4524; 12.3781; 18.0939
90; 90; 90		3684.81Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl
INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 11978-11996
7705288 CIFC5 H51 Mo9 N6 O43 VC m c 2113.858; 15.952; 20.649
90; 90; 90		4565Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin
{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954
7705289 CIFC5 H51 Mo9 N6 O44 VC m c 2113.8761; 16.0198; 20.6578
90; 90; 90		4592.1Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin
{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954
7706767 CIFC12 H32 Cl5 Mo2 O2 P4C m c 2114.84971; 12.54652; 13.80599
90; 90; 90		2572.22Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian
Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 4380-4389
7707091 CIFC8 H16 N4 O8 P4C m c 2114.982; 12.1208; 8.5138
90; 90; 90		1546.1Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap
Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 6673-6681
7707724 CIFC16 H16 Cd N10C m c 219.9628; 14.1773; 14.0487
90; 90; 90		1984.32Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam
Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 10580-10592
7707733 CIFC10 H16 I4 N2 S2 SnC m c 2128.881; 8.709; 8.638
90; 90; 90		2172.7Jung, Mi-Hee
The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 10261-10274
7708135 CIFB6 Ba1.25 O11 Pb0.75C m c 2119.051; 10.726; 8.612
90; 90; 90		1759.8Liu, Kaitong; Han, Jian; Pan, Shilie
Ba<sub>2.5</sub>Pb<sub>1.5</sub>B<sub>12</sub>O<sub>22</sub>: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba<sub>2</sub>B<sub>6</sub>O<sub>11</sub>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 13031-13036
7709000 CIFC29 H35 Cl2 Er N6 O4C m c 2118.729; 14.8702; 11.1918
90; 90; 90		3116.96Spillecke, Lena; Koo, Changhyun; Maximova, Olga; Mironov, Vladimir S.; Kopotkov, Vycheslav A.; Korchagin, Denis V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.; Klingeler, Rüdiger
Magnetic behavior of the novel pentagonal-bipyramidal erbium(iii) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis
Dalton Transactions, 2021
7709449 CIFC18 H25.5 Ga Li O9.25C m c 2115.235; 21.548; 6.698
90; 90; 90		2198.8Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz
Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials
Dalton Transactions, 2022
7710802 CIFC50 H52 N NbC m c 2117.016; 11.6364; 20.0189
90; 90; 90		3963.8de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger
A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways
Dalton Transactions, 2022
7711695 CIFC93 H92 N7 O66 Zn13C m c 2129.577; 28.974; 17.758
90; 90; 90		15218Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang
Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate
Dalton Transactions, 2022
7711696 CIFC102 H117 Co2 N10 O74 Zn12C m c 2129.4994; 28.8734; 17.7149
90; 90; 90		15088.6Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang
Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate
Dalton Transactions, 2022
7713244 CIFC8 H4 F3 N3 O3 SC m c 218.1624; 19.0919; 6.7941
90; 90; 90		1058.76Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L.
Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf].
Dalton transactions (Cambridge, England : 2003), 2023, 52, 8536-8539
7715445 CIFC34 H27 N9 O14 Zn2C m c 2129.8348; 11.0642; 13.2894
90; 90; 90		4386.8Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas
A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574
7715446 CIFC34 H27 Co2 N9 O14C m c 2129.746; 11.0402; 13.3648
90; 90; 90		4389Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas
A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574
7715447 CIFC34 H26 Cd2 N9 O14C m c 2129.4455; 11.1947; 14.2083
90; 90; 90		4683.5Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas
A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574
7715578 CIFCe F I5 O15 Rb2C m c 2111.1518; 8.1187; 17.1581
90; 90; 90		1553.46Grigorieva, Oksana P.; Shatalova, Tatiana B.; Kuznetsov, Alexey N.; Berdonosov, Peter S.; Stefanovich, Sergey Yu; Lyssenko, Konstantin A.; Dolgikh, Valery A.
New iodate fluoride Rb<sub>2</sub>Ce(IO<sub>3</sub>)<sub>5</sub>F with nonlinear optical properties.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7367-7375
8000501 CIFC0.28 N1.68 O24 Si12C m c 2113.826; 17.372; 5.0259
90; 90; 90		1207.1Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien
Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.
The journal of physical chemistry letters, 2021, 12, 5059-5063
8000544 CIFF4 H2 K2 O12 S3 Zn3C m c 2117.7247; 7.665; 9.7505
90; 90; 90		1324.7Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua
Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>.
The journal of physical chemistry letters, 2021, 12, 8280-8284
8100308 CIFC Al4 N3 OC m c 215.7431; 8.5283; 9.0943
90; 90; 90		445.43Zhang, F.X.; Tanaka, T.
Crystal structure of tetraaluminium trinitride carbide oxide, Al~4~N~3~CO
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 27-28
8100669 CIFC18 H22 F6 RuC m c 2115.1084; 8.6434; 13.479
90; 90; 90		1760.19Ernst, Richard D.; Trakarnpruk, Wimonrat; Arif, Atta M.
Refinement of the crystal structure of (1-ethyl-2,3,4,5- tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl] ruthenium(II), C~18~H~22~F~6~Ru, at 150 K
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 327-328
8101065 CIFC21 H56 Cl2 Cu2 N6 O12C m c 2112.233; 18.504; 16.306
90; 90; 90		3691Kaizer, József; Pap, József; Speier, Gábor; Réglier, Marius; Michel, Giorgi
Crystal structure of {(μ-carbonato)bis[3,3'-iminobis(N,N-dimethylpropyl- amine)]copper(II)} diperchlorate hydrate, [(Cu(idpa))~2~(CO~3~)](ClO~4~) ~2~ · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 519-520
8101271 CIFC24 H34 N2 TiC m c 2119; 14.383; 7.907
90; 90; 90		2160.8Spannenberg, Anke; Zippel, Thorsten; Rosenthal, Uwe
Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl) diazabuta-1,3-diene, C~24~H~34~N~2~Ti
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 365-366
8101539 CIFC14 H20 Cl4 N2 PbC m c 2133.619; 7.8195; 7.7282
90; 90; 90		2031.6Braun, Markus; Frey, Wolfgang
Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~) ~2~PbCl~4~
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 331-332
8103600 CIFGe Li2 O3C m c 219.634; 5.481; 4.843
90; 90; 90		255.73Voellenkle, H.
Verfeinerung der Kristallstrukturen von Li2 Si O3 und Li2 Ge O3
Zeitschrift fuer Kristallographie (149,1979-), 1981, 154, 77-81
8103946 CIFK3 S4 SbC m c 2110.712; 11.289; 7.7052
90; 90; 90		931.773Bensch, W.; Duerichen, P.
Crystal structure of a new modification of potassium tetrathioantimonate, beta-K3SbS4
Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 95-96
8105548 CIFC18 H18 N0 O3 SC m c 2114.463; 9.78; 10.848
90; 90; 90		1534.4Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli
Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 234, 79-80
8106106 CIFC6 H8 Cl2 Cu N4C m c 2112.915; 10.784; 6.8037
90; 90; 90		947.6Zhang, Hong
Crystal structure of catena-poly[chlorido-(μ2-chlorido)-bis(imidazole-κN)copper(II)] C6H8Cl2CuN4
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 223-224
9001104 CIFBe4 H2 O9 Si2C m c 218.7135; 15.268; 4.5683
90; 90; 90		607.756Downs, J. W.; Ross, F. K.
Neutron-diffraction study of bertrandite Note: O2y has been corrected
American Mineralogist, 1987, 72, 979-983
9001689 CIFCa3 H2 O7.5 Si1.5C m c 213.6389; 16.311; 11.829
90; 90; 90		702.1Dai, Y. S.; Post, J. E.
Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement
American Mineralogist, 1995, 80, 841-844
9003354 CIFAl1.956 Ca0.466 H34 K0.24 Na0.69 O31.18 Si10.044C m c 2118.096; 20.473; 7.515
90; 90; 90		2784.15Simoncic, P.; Armbruster, T.
Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: natural
American Mineralogist, 2004, 89, 421-431
9003355 CIFAl1.5 H30 Na1.37 O28.86 Si10.5C m c 2118.131; 20.507; 7.5221
90; 90; 90		2796.81Simoncic, P.; Armbruster, T.
Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: synthetic
American Mineralogist, 2004, 89, 421-431
9005793 CIFBe4 H2 O9 Si2C m c 218.7135; 15.268; 4.5683
90; 90; 90		607.756Hazen, R. M.; Au, A. Y.
High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar
Physics and Chemistry of Minerals, 1986, 13, 69-78
9005794 CIFBe4 H2 O9 Si2C m c 218.641; 15.051; 4.5338
90; 90; 90		589.646Hazen, R. M.; Au, A. Y.
High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 23 kbar Note: x-coordinate of O2 altered
Physics and Chemistry of Minerals, 1986, 13, 69-78
9005795 CIFBe4 H2 O9 Si2C m c 218.587; 14.912; 4.5901
90; 90; 90		587.759Hazen, R. M.; Au, A. Y.
High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 41 kbar Note: y-coordinate of O3 altered
Physics and Chemistry of Minerals, 1986, 13, 69-78
9007510 CIFAg5 S4 SbC m c 217.873; 12.467; 8.583
90; 90; 90		842.445Ribar, B.; Nowacki, W.
Die kristallstruktur von stephanit, [SbS3|S|Ag5]
Acta Crystallographica, Section B, 1970, 26, 201-207
9007740 CIFNa2 O7 W2C m c 213.7777; 26.6067; 5.429
90; 90; 90		545.68Range, K. J.; Haase, H.
Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)
Acta Crystallographica, Section C, 1990, 46, 317-318
9007849 CIFCu H2 O2C m c 212.9471; 10.593; 5.2564
90; 90; 90		164.098Oswald, H. R.; Reller, A.; Schmalle, H. W.; Dubler, E.
Structure of copper(II) hydroxide, Cu(OH)2
Acta Crystallographica, Section C, 1990, 46, 2279-2284
9007959 CIFNa3 O S3 VC m c 219.6673; 11.9122; 5.8846
90; 90; 90		677.664Huang, F. Q.; Ibers, J. A.
Na3VOS3
Acta Crystallographica, Section E, 2004, 60, i6-i7
9008262 CIFC2 Ca K0.36 Na1.64 O3C m c 215.044; 8.809; 12.743
90; 90; 90		566.205McKie, D.; Frankis, E. J.
Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania
Zeitschrift fur Kristallographie, 1977, 145, 73-95
9009749 CIFMg O3 VC m c 215.243; 10.028; 5.29
90; 90; 90		278.131Bouloux, J. C.; Milosevic, I.; Galy, J.
Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3
Journal of Solid State Chemistry, 1976, 16, 393-398
9010003 CIFAs NiC m c 2110.8568; 6.2682; 5.034
90; 90; 90		342.577Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C.
The crystal structure of nickel arsenide Note: room temperature, solution 1
Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015
9010004 CIFAs NiC m c 2110.8568; 6.2682; 5.034
90; 90; 90		342.577Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C.
The crystal structure of nickel arsenide Note: room temperature, solution 2
Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015
9010121 CIFF3 Mg NaC m c 212.7143; 8.393; 6.846
90; 90; 90		155.96Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.
Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa
American Mineralogist, 2006, 91, 1703-1706
9010358 CIFCa Ir O3C m c 213.13642; 9.88337; 7.29891
90; 90; 90		226.255Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 293 K
American Mineralogist, 2007, 92, 1912-1918
9010359 CIFCa Ir O3C m c 213.1345; 9.87576; 7.29521
90; 90; 90		225.827Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 2.0 K
American Mineralogist, 2007, 92, 1912-1918
9010360 CIFCa Ir O3C m c 213.101; 9.6588; 7.2111
90; 90; 90		215.986Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: P = 9.72 GPa, room temp
American Mineralogist, 2007, 92, 1912-1918
9011275 CIFAg Cu SC m c 214.059; 6.617; 7.967
90; 90; 90		213.981Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S.
A low-temperature structural phase transformation in CuAgS Sample: T = 298 K
Acta Crystallographica, Section B, 1991, 47, 891-899
9011370 CIFC5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24C m c 2110.444; 18.01799; 6.291
90; 90; 90		1183.84Marsh, R. E.
Structure of Na3M3(CO3)5. Corrigendum
Acta Crystallographica, Section C, 1989, 45, 1840-1840
9011923 CIFBe2 K2 O15 Si6C m c 217.485; 15.453; 11.418
90; 90; 90		1320.67Naumova, I. S.; Pobedimskaya, E. A.; Pushcharovskii D Yu; Belov, N. V.; Altukhova Yu, N.
Crystal structure of synthetic K2Be2Si6O15 of the epidimite group Note: c-cell edge altered to reproduce bond lengths
Doklady Akademii Nauk SSSR, 1976, 229, 856-859
9012381 CIFAs Pd2C m c 213.245; 16.844; 6.576
90; 90; 90		359.436Balz, U.; Schubert, K.
Kristallstruktur von Pd2As(r) und Pd2Sb
Journal of the Less-Common Metals, 1969, 19, 300-304
9012532 CIFN2 O Si2C m c 218.843; 5.473; 4.835
90; 90; 90		234.003Idrestedt, I.; Brosset, C.
Structure of Si2N2O
Acta Chemica Scandinavica, 1964, 18, 1879-1886
9012756 CIFAl5 H O8C m c 215.6152; 9.7264; 8.8241
90; 90; 90		481.934Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.
Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,
Journal of Physics: Conference Series, 2008, 117, 012013-012013
9012856 CIFBi PdC m c 218.707; 7.203; 10.662
90; 90; 90		668.684Zhuravlev, N. N.
Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic
Soviet Journal of Experimental and Theoretical Physics, 1957, 5, 1064-1072
9013386 CIFAl4.5 B0.5 O9.5 SiC m c 215.7168; 15.023; 7.675
90; 90; 90		659.156Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G.
Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic "boron-mullite" Locality: Mount Safford, central Australia
European Journal of Mineralogy, 2008, 20, 935-950
9013429 CIFAg5 S4 SbC m c 217.8329; 12.458; 8.5272
90; 90; 90		832.104Leitl, M.; Pfitzner, A.; Bindi, L.
Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009
Mineralogical Magazine, 2009, 73, 17-26
9013782 CIFCu3 H7.3 O8 S0.5C m c 212.989; 16.97; 14.812
90; 90; 90		751.314Orlandi, P.; Bonaccorsi, E.
Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy Locality: Monte Trisa, Vicenza, Italy
The Canadian Mineralogist, 2009, 47, 143-151
9014041 CIFNi7 P7C m c 2123.801; 5.9238; 4.8479
90; 90; 90		683.517Dera, P.; Lazarz, J. D.; Lavina, B.
Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa
Journal of Solid State Chemistry, 2011, 184, 1997-2003
9015251 CIFO5 Pb3 SeC m c 2110.5384; 10.7452; 5.7577
90; 90; 90		651.986Kampf, A. R.; Mills, S. J.; Pinch, W. W.
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
Mineralogy and Petrology, 2011, 101, 75-80
9016993 CIFMg2 O4 SiC m c 212.64; 8.596; 9.04
90; 90; 90		205.149Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.
Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa
American Mineralogist, 2014, 99, 35-43
9016994 CIFMg2 O4 SiC m c 212.591; 8.726; 8.794
90; 90; 90		198.824Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.
Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa
American Mineralogist, 2014, 99, 35-43
9017155 CIFCu3 H7 O8 S0.5C m c 212.989; 16.97; 14.812
90; 90; 90		751.314Orlandi, P.; Bonaccorsi, E.
Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy
The Canadian Mineralogist, 2009, 47, 143-151
9017380 CIFAl H O2C m c 212.876; 12.24; 3.709
90; 90; 90		130.565Christensen, A. N.; Lehmann, M. S.; Convert, P.
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Acta Chemica Scandinavica A, 1982, 36, 303-308
9017382 CIFFe H O2C m c 213.07; 12.53; 3.876
90; 90; 90		149.098Christensen, A. N.; Lehmann, M. S.; Convert, P.
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Acta Chemica Scandinavica A, 1982, 36, 303-308

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