Crystallography Open Database

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8000528 CIFC44 H38 Br4 Mn P2P b c n11.90232; 18.92658; 18.74628
90; 90; 90
4222.98Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen
Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices
The Journal of Physical Chemistry Letters, 2021, 7394-7399
8100177 CIFC8 H16 Au Cl N4 S2P b c n11.9055; 11.7507; 10.0615
90; 90; 90
1407.6Fettouhi, Mohammed; Isab, Anvarhusein A.; Wazeer, Mohamed I. M.
Crystal structure of bis(3,4,5,6-tetrahydropyrimidine-2(1H)-thione- S)gold(I) chloride, [Au(C~4~H~8~N~2~S)~2~]Cl
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 391-392
8100701 CIFC17 H10 F6 O2 S2P b c n12.182; 8.7063; 16.622
90; 90; 90
1763Pu, Shou-Zhi; Sun, Fan; Yuan, Peng; Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Chan, Shek-Kiu
Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl) perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic diarylethene
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 415-416
8100703 CIFC4 H8 Br4 O2 SnP b c n8.7678; 11.2927; 11.1746
90; 90; 90
1106.42Bauer, Matthew; Kouvetakis, John; Groy, Thomas L.
Crystal structure of tin tetrabromodioxane, SnBr~4~ · (C~4~H~8~O~2~), a one dimensional polymer of Sn(IV)
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 421-422
8100751 CIFC10 H12 N2 O4P b c n16.006; 5.308; 12.766
90; 90; 90
1084.6Ye, Ming-De; Hu, Mao-Lin; Yuan, Ji-Xin; Wang, Shun
Crystal structure of 2,2'-bipyridine-1,1'-dioxide dihydrate, C~10~H~8~N~2~O~2~ · 2H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 497-498
8100823 CIFH36 O42 P8 Zn4P b c n14.566; 14.844; 16.311
90; 90; 90
3526.7Mrad, Mohamed L'ahbib; Ben Slimane, Amel; Rzaigui, Mohamed
Crystal structure of hydrated tetrazinc cyclo-octaphosphate, Zn~4~ [P~8~O~24~] ·~ ~18H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 481-482
8101024 CIFC13 H23 Cu N7 O11P b c n21.006; 14.558; 6.9119
90; 90; 90
2113.7Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Tamboura, Farba; Barry, Aliou H.; Jouini, Tahar
Crystal structure of diaqua-2,6-diacetylpyridine-bis(acetylhydrazone) copper(II) complex dinitrate hydrate, [Cu(C~13~H~17~N~5~O~2~)(H~2~O) ~2~](NO~3~)~2~ · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 421-422
8101079 CIFC8 H8 O2 SeP b c n9.865; 10.491; 15.775
90; 90; 90
1633Ward, A. D.; Ward, V. A.; Tiekink, E. R. T.
Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 553-554
8101189 CIFC19 H24 Br4 Te2P b c n14.315; 8.107; 19.888
90; 90; 90
2308Dakternieks, D.; O'Connell, J.; Tiekink, E. R. T.
Crystal structure of dibromo[(1,1-dibromo-1-mesityl-l4-telluranyl) methyl]-mesityl-l4-tellurane, [MesTeBr~2~]~2~CH~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 87-88
8101295 CIFC18 H15 Cl N2 O SP b c n8.36; 15.794; 23.949
90; 90; 90
3162.2Hanoun, J.-P.; Boyer, G.; Galy, J.-P.
Crystal structure of 6-butyl-2-chlorothiazolo[5,4-a]acridin-11(6H)- one, C~18~H~15~ClN~2~OS
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 455-456
8101324 CIFC18 H12 S3P b c n16.0515; 11.5227; 8.2362
90; 90; 90
1523.3Choi, Moon-Gun; Chang, Hong-Young; Guzei, Ilia A.
Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 491-492
8101495 CIFC15 H18 Cl2 N2 SnP b c n12.305; 15.55; 18.066
90; 90; 90
3456.7Basu Baul, S. S.; Basu Baul, T. S.; Tiekink, E. R. T.
Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-3-toluidine]tin, C15H18Cl2N2Sn
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 207-208
8101502 CIFC6 H9 K N O4.5 SP b c n23.001; 7.763; 10.424
90; 90; 90
1861.3Schreuer, Jürgen
Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 287-288
8101503 CIFC6 H9 N O4.5 Rb SP b c n23.271; 7.844; 10.635
90; 90; 90
1941.3Schreuer, Jürgen
Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 · 1.5H2O
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 289-290
8101696 CIFC8 H11 N2 O5 PP b c n24.714; 7.3303; 11.98
90; 90; 90
2170.3K. Gholivand; Z. Shariatinia; M. Pourayoubi
Refinement of the crystal structure of N-4-nitrophenylphosphoramidic acid dimethyl ester, (CH~3~O)~2~PONHC~6~H~4~NO~2~, at 120 K
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 65-66
8101706 CIFC7 H11 Cl N O4 PP b c n7.246; 9.134; 30.518
90; 90; 90
2019.8H. Dhaouadi; H. Marouani; M. Rzaigui
Crystal structure of 4-chlorobenzylammonium dihydrogenmonophosphate, (ClC~7~H~6~NH~3~)~H2~PO~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 135-136
8101832 CIFC32 H32 Cd N4 O2 S4P b c n7.2663; 18.6061; 24.01
90; 90; 90
3246.1M. Saravanan; R. Ramalingam; B. Arulprakasam; G. Bocelli; A. Cantoni; E. R. T. Tiekink
Crystal structure of bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato] (1,10-phenanthroline)cadmium(II), Cd[S~2~CN(C~7~H~7~)(C~2~H~2~OH)] ~2~(C~12~H~8~N~2~)
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 477-478
8101880 CIFC35 H45 Ba N3P b c n15.7141; 12.8573; 15.7388
90; 90; 90
3179.88Fichtel, K.; Behrens, U.
Crystal structure of bis(pentamethylcyclopentadienyl)tri(pyridine) barium, Ba(C~5~H~5~N)~3~(C~10~H~15~)~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 609-610
8101997 CIFC15 H12 OP b c n10.9322; 11.86; 17.996
90; 90; 90
2333.3Wu, M.-H.; Yang, X.-H.; Zou, W.-D.; Liu, W.-J.; Li, C.
Refinement of the crystal structure of (E)-1,3-diphenyl-2-propen-1- one, C~15~H~12~O
Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 323-324
8102097 CIFC36 H44 N4 Ni3 O20P b c n9.553; 12.26; 36.798
90; 90; 90
4309.8Li, L.-Z.; Wang, L.-H.
Crystal structure of hexaaquanickel(II) bis(bis(N-salicylideneglycinato- O,O')nickelate(II)) dihydrate, [Ni(H~2~O)~6~][Ni(C~9~H~7~NO~3~)~2~] · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 119-121
8102207 CIFC13 H13 N O2P b c n12.4741; 11.1481; 16.3617
90; 90; 90
2275.3Manuela Ramos Silva; Joana A. Silva; Ana M. Urbano; Ana C. Santos; Abilío J. F. N. Sobral; Ana Matos Beja; José A. Paixão
Crystal structure of 2,5-dimethyl-1-(4-carboxy-phenyl)pyrrole, C13H13NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 33
8102319 CIFC32 H30 N2 O10 S4P b c n14.7427; 18.8971; 11.8151
90; 90; 90
3291.6Xiao-Jun Hu; Xiao Liu; Pin Zhang; Tie-Heng Sun
Crystal structure of 5,17-dinitro-25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene - tetrahydrofuran (1:2), C24H14N2O8S4 · 2C4H8O
Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 393
8102463 CIFC21 H17 N5P b c n18.1415; 9.1274; 20.0652
90; 90; 90
3322.5Huilu Wu; Xingcai Huang; Jingkun Yuan; Jian Ding; Ruirui Yun
Refinement of crystal structure of 2,6-bis(N-methylbenzimidazol-2-yl)pyridine at 153 K, C21H17N5
Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 419
8102575 CIFC38 H28 Ba F2 N4 O6P b c n23.483; 10.522; 13.767
90; 90; 90
3401.7Bi-Song Zhang
Crystal structure of diaquabis(2-fluorobenzoato-kO)-bis(1,10-phenanthroline-k2N,N')barium(II), Ba(H2O)2(C7H4FO2)2(C12H8N2)2
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 87
8102839 CIFC15 H15 I2 N O Pt SP b c n24.4566; 9.1868; 15.8353
90; 90; 90
3557.8Kwang Ha
Crystal structure of acridine(dimethyl sulfoxide-kS)diiodoplatinum(II), PtI2(C13H9N)(C2H6OS)
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 657
8102874 CIFC12 H8 Cl N3 O2 PdP b c n11.9623; 14.1791; 6.9203
90; 90; 90
1173.8Kwang Ha
Crystal structure of (bis(2-pyridyl)imido)chloropalladium(II), PdCl(C12H8N3O2)
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 789
8102978 CIFAl Cl4 Hg2 SbP b c n11.9771; 8.7826; 17.5237
90; 90; 90
1843.32Schlirf, Jens; Deiseroth, Hans-Jörg
Crystal structures of α-and β-antimony dimercury tetrachloroaluminate, SbHg~2~AlCl~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 367-368
8103351 CIFC22 H28 Cl4 Mn N4 O3P b c n12.3759; 9.249; 22.827
90; 90; 90
2612.9Limei Wang; Xifeng Zhang; Wanyong Zeng; Zhiguo Liu; Lieju Liu
Crystal structure of bis(3,5-dichloro-N-2-(dimethylamino)ethylsalicylaldiminato-k3N,N',O)manganese(II) monohydrate, Mn(C11H13Cl2N2O)2 · H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 261
8103679 CIFNb2 Ni O6P b c n14.0217; 5.6752; 5.015
90; 90; 90
399.073Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
8103680 CIFCo Nb2 O6P b c n14.1475; 5.712; 5.0446
90; 90; 90
407.657Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
8103681 CIFFe Nb2 O6P b c n14.2448; 5.7276; 5.0421
90; 90; 90
411.377Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
8103682 CIFMn Nb2 O6P b c n14.4236; 5.7609; 5.0839
90; 90; 90
422.436Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
8103683 CIFMn O6 Ta2P b c n14.4219; 5.7513; 5.0816
90; 90; 90
421.492Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
8103938 CIFB3 H3 Li O9 PP b c n11.484; 8.719; 13.871
90; 90; 90
1388.89Hauf, C.; Kniep, R.
Crystal Structure of lithium catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P O6 (O H)3)
Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 313-314
8103977 CIFCl4 Na ScP b c n6.188; 15.543; 6.367
90; 90; 90
612.379Bohnsack, A.; Meyer, G.; Wickleder, M.S.
Crystal structure of sodium tetrachloroscandate, Na Sc Cl4
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 394-394
8104166 CIFCl4 H7 O3.5 PtP b c n6.1317; 11.968; 24.231
90; 90; 90
1778.17Rau, F.; Klement, U.; Range, K.J.
Crystal structure of fac-triaquatrichloroplatinum(IV)chloride hemihydrate, (Pt (H2 O)3 Cl3) Cl (H2 O)0.5
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 605-605
8104440 CIFCr F3 H10 O5P b c n10.396; 8.06; 7.965
90; 90; 90
667.401Herbstein, F.H.; Kapon, M.; Reisner, G.M.
Crystal structures of chromium(III) fluoride trihydrate and chromium(III) fluoride pentahydrate. Structural chemistry of hydrated transition metal fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate
Zeitschrift fuer Kristallographie (149,1979-), 1985, 171, 209-224
8104486 CIFMg1.04 O3 SiP b c n9.304; 8.902; 5.351
90; 90; 90
443.192Smyth, J.R.
Protoenstatite. A crystal-structure refinement at 1100 C
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 262-274
8104506 CIFMg O3 SiP b c n9.349; 8.929; 5.361
90; 90; 90
447.521Murakami, T.; Takeuchi, Y.; Yamanaka, T.
X-ray studies on protoenstatite II. Effect of temperature on the structure up to near the incongruent melting point
Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 263-275
8104654 CIFC22 H14 Cu N2 O4 S2P b c n20.171; 9.684; 10.372
90; 90; 90
2026Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan
Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1019-1020
8104680 CIFC56 H42 N8 OP b c n17.885; 15.647; 16.189
90; 90; 90
4530.4Li, Yi-Da; Song, Zhi-Qiang; Yue, Zhi-Wei; Zhong, Qi-Di; Qi, Ya-Juan
Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1113-1114
8104821 CIFC14 H14 F6 N2 OP b c n17.7552; 10.7574; 8.0207
90; 90; 90
1532Hosten, Eric C.; Betz, Richard
The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 329-331
8104880 CIFC9 H13 N OP b c n29.554; 7.493; 8.28
90; 90; 90
1833.6Manana, Pholani; Hosten, Eric C.; Betz, Richard
Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 51-53
8105033 CIFC26 H14 Br8 Co N2 O10P b c n24.3935; 11.4505; 11.7004
90; 90; 90
3268.13Li, Yong-Shuang; Luo, Jia-Yang; He, Man-Qiu; Han, Min-Le
Crystal structure of catena-poly[diaqua-bis(3,4,5,6-tetrabromo-carboxybenzoato-κ1O)-(μ2-4,4′-bipyridine-κ2N:N′)cobalt(II)], C26H14Br8CoN2O10
Zeitschrift für Kristallographie - New Crystal Structures, 2019, 235, 113-115
8105145 CIFC26 H20 Cl2 N8 Ni O2P b c n11.737; 9.309; 23.72
90; 90; 90
2592Hao, Zhen-Li; Huang, Cun-Han
Crystal structure of bis(3-chloro-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-k3 N,N′,O)nickel(II), C26H20N8O2Cl2Ni
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 477-478
8105164 CIFC26 H14 Br8 N2 Ni O10P b c n24.174; 11.3727; 11.7918
90; 90; 90
3241.84Li, Yong-Shuang; Han, Min-Le
Crystal structure of catena-poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)-bis(2,3,4,5-tetrabromo-6-carboxybenzoato-κ1 O)-nickel(II)], C26H14Br8NiN2O10
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 539-540
8105237 CIFC6 H12 N10 O6 ZnP b c n19.6175; 7.2887; 9.3499
90; 90; 90
1336.91Wang, Hui; Xiao, Zi-Jing
The crystal structure of bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide κ2 O,O′)-diaqua-zinc(II), C6H12ZnN10O6
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 617-619
8105306 CIFC24 H16 Cr2 N4 Ni O7P b c n13.7804; 10.311; 16.4118
90; 90; 90
2331.95Wu-Hua, Chen; Gui-Xiang, Xie; Qin, Chen; Yan-Ming, Ruan
The crystal structure of (dichromato-κ2 O,O′)bis(1,10-phenanthroline-κ2 N,N′)nickel(II), C12H16N4O7Cr2Ni
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 849-850
8105378 CIFC28 H26 N8 Ni O4P b c n11.675; 9.884; 23.225
90; 90; 90
2680Li, Li
Crystal structure of bis[3-methoxy-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′]nickel(II), C28H26N8O4Ni
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1063-1064
8105463 CIFC31 H26 Cl2 O6P b c n11.6965; 13.8078; 16.3257
90; 90; 90
2636.6Wu, Chong; Liu, Xiao-Long; An, Rui; Yang, Ye
Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1349-1350
8105937 CIFC18 H10 Br N O2P b c n20.745; 6.7956; 20.47
90; 90; 90
2885.8Maluleka, Marole M.; Mphahlele, Malose J.; Onwu, Eugene E.
Crystal structure of 8-bromo-6-oxo-2-phenyl-6H-pyrrolo[3,2,1-ij]quinoline-5-carbaldehyde, C18H11BrNO2
Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 1063-1065
8106309 CIFC23 H29 N O3P b c n18.781; 15.749; 14.081
90; 90; 90
4165Chen, Xuanhuang; Wu, Feng; Huang, Manwei; Zheng, Jinqing; Yu, Zhengxi; Chen, Jinhui
Crystal structure of ethyl 4-(3,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO3
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 821-822
8106343 CIFC21 H24 Cl N O3P b c n17.215; 15.749; 14.136
90; 90; 90
3833Gou, Wei; Zhou, Yan; Zhong, Wei; Wang, Yang; Yang, Bai-Yuan; Zhao, An-Rong
Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 911-912
8106402 CIFC17 H21 Br N2 O2P b c n20.179; 10.902; 15.026
90; 90; 90
3306Bo, Zhao; Shilu, Zhang
The crystal structure of 9-butoxy-2-(hydroxymethyl)-2H-imidazo[1,5-a]quinolin-10-ium bromide, C17H21O2N2Br
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 1069-1070
8106482 CIFC19 H18 O4P b c n21.1472; 9.7978; 14.5181
90; 90; 90
3008.1El-Sayed, Nahed N.E.; Almaneai, Norah M.; Ghabbour, Hazem A.; Alafeefy, Ahmed M.
Crystal structure of (E)-2-(4-hydroxy-3-methoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H18O4
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 203-205
8106569 CIFC12 H14 Cl4 N2 ZnP b c n12.7029; 16.0791; 7.7171
90; 90; 90
1576.23Song, Qingmei; Song, Lijun
Crystal Structure of 1,1′-dimethyl-[4,4′-bipyridine]-1,1′-diium tetrachloridozincate(II), C12H14Cl4N2Zn
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 461-462
8106804 CIFC14 H11 N3 SP b c n19.813; 8.1643; 14.9521
90; 90; 90
2418.6Hijazi, Ahmed K.; Abu-Salem, Qutaiba; Ajlouni, Abdulaziz; Taha, Ziyad A.
Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 129-131
8106831 CIFC82 H64 Co2 N12 O11P b c n22.286; 22.725; 14.056
90; 90; 90
7119Zi, Wang; Guo-Wang, Xu; Hai-Bin, Wang; Zhi-Hang, Zhou; Dong-Sheng, Li
Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2 O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2
Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 219-221
8106857 CIFC2 H12 Mg N8 O8P b c n9.856; 6.582; 18.276
90; 90; 90
1185.6Xiaojun, Wang; Jin, Shaohua; Li, Lijie; Chen, Shusen; Shu, Qinghai
Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 305-306
8107489 CIFC61 H50 Cl2 Fe2 I12 N12P b c n13.0247; 17.0204; 34.1475
90; 90; 90
7570Cui, Chuanguo; Zhang, Jinxiao; Xiao, Zhiyin
Crystal structure of tris(2,2′-bipyridine-κ2 N,N′)iron(II) triiodide – dichloromethane (2/1), C61H50Cl2Fe2I12N12
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 541-543
9000191 CIFCa Nb2 O6P b c n14.926; 5.752; 5.204
90; 90; 90
446.786Cummings, J. P.; Simonsen, S. H.
The crystal structure of calcium niobate (CaNb2O6)
American Mineralogist, 1970, 55, 90-97
9000597 CIFLi0.3 Mg1.4 O6 Sc0.3 Si2P b c n9.251; 8.773; 5.377
90; 90; 90
436.392Smyth, J. R.; Ito, J.
The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene
American Mineralogist, 1977, 62, 1252-1257
9001042 CIFNa2 O9 Si2 Ti2P b c n8.7128; 5.2327; 14.487
90; 90; 90
660.484Sundberg, M. R.; Lehtinen, M.; Kivekas, R.
Refinement of the crystal structure of ramsayite (lorenzenite)
American Mineralogist, 1987, 72, 173-177
9001361 CIFFe0.32 Mn1.68 O9 Pb2 Si2P b c n6.961; 11.018; 9.964
90; 90; 90
764.202Moore, P. B.; Sen Gupta, P. K.; Shen, J.; Schlemper, E. O.
The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical crystallographic relations, lone-pair splitting, and cation relation to 8URe2
American Mineralogist, 1991, 76, 1389-1399
9001397 CIFFe0.333 Nb0.501 O2 Ta0.166P b c n14.189; 5.727; 5.12
90; 90; 90
416.053Wenger, M.; Armbruster, T.; Geiger, C. A.
Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina sample NCP5, T = 100 K
American Mineralogist, 1991, 76, 1897-1904
9001398 CIFFe0.333 Nb0.5 O2 Ta0.167P b c n14.221; 5.727; 5.102
90; 90; 90
415.526Wenger, M.; Armbruster, T.; Geiger, C. A.
Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina SAMPLE ncp1, T = 293 K
American Mineralogist, 1991, 76, 1897-1904
9002030 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2554; 8.765; 5.3333
90; 90; 90
432.656Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6
American Mineralogist, 1999, 84, 245-256
9002031 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2351; 8.731; 5.3216
90; 90; 90
429.089Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6
American Mineralogist, 1999, 84, 245-256
9002032 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2178; 8.7039; 5.3119
90; 90; 90
426.178Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6
American Mineralogist, 1999, 84, 245-256
9002206 CIFH8 Na O8 Si2P b c n4.946; 20.502; 7.275
90; 90; 90
737.706Garvie, L. A. J.; Devouard, B.; Groy, T. L.; Camara, F.; Buseck, P. R.
Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia
American Mineralogist, 1999, 84, 1170-1175
9002782 CIFO2 SiP b c n4.097; 5.0462; 4.4946
90; 90; 90
92.923Dera, P.; Prewitt, C. T.; Boctor, N. Z.; Hemley, R. J.
Characterization of a high-pressure phase of silica from the Martian meteorite Shergotty alpha-PbO2-like
American Mineralogist, 2002, 87, 1018-1023
9003431 CIFMg O3 SiP b c n7.037; 6.928; 4
90; 90; 90
195.009Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9003432 CIFMg O3 SiP b c n9.268; 9.102; 5.255
90; 90; 90
443.298Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9003433 CIFMg O3 SiP b c n9.199; 9.026; 5.211
90; 90; 90
432.67Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9003434 CIFMg O3 SiP b c n9.154; 8.981; 5.185
90; 90; 90
426.27Thompson, R. M.; Downs, R. T.
Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience
American Mineralogist, 2004, 89, 614-628
9003728 CIFCa0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002P b c n14.2877; 5.7363; 5.0561
90; 90; 90
414.391Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil
American Mineralogist, 2005, 90, 1291-1300
9003729 CIFCa0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004P b c n14.3267; 5.7392; 5.0674
90; 90; 90
416.661Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar
American Mineralogist, 2005, 90, 1291-1300
9003730 CIFCa0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014P b c n14.3434; 5.7415; 5.0665
90; 90; 90
417.24Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A.
American Mineralogist, 2005, 90, 1291-1300
9003731 CIFCa0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08P b c n14.4003; 5.7501; 5.0784
90; 90; 90
420.508Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway
American Mineralogist, 2005, 90, 1291-1300
9003732 CIFFe0.263 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2427; 5.729; 5.0856
90; 90; 90
414.967Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003733 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2445; 5.7265; 5.0789
90; 90; 90
414.292Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003734 CIFFe0.263 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2501; 5.7263; 5.0767
90; 90; 90
414.26Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003735 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.033P b c n14.2582; 5.729; 5.0748
90; 90; 90
414.536Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 200 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003736 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.26; 5.7293; 5.0746
90; 90; 90
414.594Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 5 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003737 CIFFe0.79 Mn0.209 Nb1.901 O6 Ta0.1P b c n14.2658; 5.7299; 5.0748
90; 90; 90
414.822Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003738 CIFFe0.791 Mn0.209 Nb1.9 O6 Ta0.1P b c n14.2733; 5.7317; 5.0646
90; 90; 90
414.336Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 7 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003739 CIFFe0.791 Mn0.209 Nb1.9 O6 Ta0.1P b c n14.2744; 5.7321; 5.0616
90; 90; 90
414.152Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 40 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003740 CIFFe0.791 Mn0.209 Nb1.898 O6 Ta0.102P b c n14.2852; 5.7361; 5.0574
90; 90; 90
414.41Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 950 C for t = 3 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003741 CIFCa0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028P b c n14.325; 5.744; 5.113
90; 90; 90
420.712Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.565 from Kragero, Norway Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003742 CIFCa0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03P b c n14.344; 5.739; 5.105
90; 90; 90
420.245Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.674 from Kragero, Norway Sample: Annealed at T = 500 C for t = 15 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003743 CIFCa0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.334; 5.737; 5.096
90; 90; 90
419.065Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.742 from Kragero, Norway Sample: Annealed at T = 530 C for t = 92 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003744 CIFCa0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.352; 5.74; 5.093
90; 90; 90
419.564Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.817 from Kragero, Norway Sample: Annealed at T = 600 C for t = 67 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003745 CIFCa0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032P b c n14.352; 5.74; 5.09
90; 90; 90
419.317Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.844 from Kragero, Norway Sample: Annealed at T = 600 C for t = 177 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003746 CIFCa0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.38; 5.745; 5.088
90; 90; 90
420.335Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.922 from Kragero, Norway Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003747 CIFCa0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033P b c n14.38; 5.75; 5.084
90; 90; 90
420.371Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.960 from Kragero, Norway Sample: Annealed at T = 800 C for t = 15 m Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9003748 CIFCa0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034P b c n14.395; 5.753; 5.083
90; 90; 90
420.946Tarantino S C; Zema M
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder
American Mineralogist, 2005, 90, 1291-1300
9004109 CIFFe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02P b c n14.413; 5.76; 5.084
90; 90; 90
422.068Grice J D; Ferguson R B; Hawthorne F C
The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite Locality: Bernic lake, Manitoba, Canada
The Canadian Mineralogist, 1976, 14, 540-549
9004110 CIFFe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02P b c n4.785; 5.758; 5.16
90; 90; 90
142.168Grice, J. D.; Ferguson, R. B.; Hawthorne, F. C.
The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite
The Canadian Mineralogist, 1976, 14, 540-549
9004254 CIFAl O4 TaP b c n4.473; 11.308; 4.775
90; 90; 90
241.523Ercit, T. S.; Hawthorne, F. C.; Cerny, P.
The crystal structure of alumotantite: Its relation to the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds
The Canadian Mineralogist, 1992, 30, 653-662
9004294 CIFB11 H9 Mg3 O24P b c n16.291; 9.181; 10.571
90; 90; 90
1581.08Burns, P. C.; Hawthorne, F. C.
Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral borate
The Canadian Mineralogist, 1994, 32, 387-396

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