Crystallography Open Database

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7113801 CIFC64 H73 N6 O3 ScP 3 1 c14.7505; 14.7505; 15.417
90; 90; 120		2904.99Lawrence, Sally C.; Ward, Benjamin D.; Dubberley, Stuart R.; Kozak, Christopher M.; Mountford, Philip
Highly efficient ethylene polymerisation by scandium alkyls supported by neutral fac-?3 coordinated N3 donor ligandsElectronic supplementary information (ESI) available: experimental details, characterising data, crystallographic data for 5 and GPC data. See http://www.rsc.org/suppdata/cc/b3/b310867h/
Chemical Communications, 2003, 2880
7114654 CIFC21 H24 B2 F8 Fe N12 O3P 3 1 c12.6729; 12.6729; 10.9338
90; 90; 120		1520.74Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow
Complex thermal expansion properties in a molecular honeycomb lattice
Chem.Commun., 2014, 50, 7601
7114655 CIFC21 H24 B2 F8 Fe N12 O3P 3 1 c12.6653; 12.6653; 11.0258
90; 90; 120		1531.7Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow
Complex thermal expansion properties in a molecular honeycomb lattice
Chem.Commun., 2014, 50, 7601
7114656 CIFC21 H24 B2 F8 Fe N12 O3P 3 1 c12.6778; 12.6778; 10.9308
90; 90; 120		1521.49Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow
Complex thermal expansion properties in a molecular honeycomb lattice
Chem.Commun., 2014, 50, 7601
7114657 CIFC21 H24 B2 F8 Fe N12 O3P 3 1 c12.66; 12.66; 10.9359
90; 90; 120		1517.9Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow
Complex thermal expansion properties in a molecular honeycomb lattice
Chem.Commun., 2014, 50, 7601
7114783 CIFC28.67 H18 Cl0.67 F6 Ir0.67 N2 O2P 3 1 c14.692; 14.692; 21.452
90; 90; 120		4010.1Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying
New, efficient electroluminescent materials based on organometallic Ir complexes
Chemical Communications, 2001, 1494
7115786 CIFC28 H20 N4 Ni2 O2 S8 ZnP 3 1 c27.525; 27.525; 24.215
90; 90; 120		15888Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert
Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks
Chem.Commun., 2014, 50, 12772
7119725 CIFC38 H47 N9 O3P 3 1 c18.5004; 18.5004; 9.6325
90; 90; 120		2855.17Yan, Wenqing; Yu, Xiaopeng; Yan, Tao; Wu, Doufeng; Ning, Erlong; Qi, Yi; Han, Ying-Feng; Li, Qiaowei
A triptycene-based porous hydrogen-bonded organic framework for guest incorporation with tailored fitting.
Chemical communications (Cambridge, England), 2017, 53, 3677-3680
7119845 CIFC96 H120 Cl Cu16 N12 O14 S25P 3 1 c18.1253; 18.1253; 29.8697
90; 90; 120		8498.3Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.
Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.
Chemical communications (Cambridge, England), 2017, 53, 3334-3337
7122411 CIFC54.5 H50 Cl1.5 Cu3 N12.5 O10P 3 1 c15.064; 15.064; 29.042
90; 90; 120		5707.4Kintzel, Benjamin; Böhme, Michael; Liu, Junjie; Burkhardt, Anja; Mrozek, Jakub; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried
Molecular electronic spin qubits from a spin-frustrated trinuclear copper complex.
Chemical communications (Cambridge, England), 2018, 54, 12934-12937
7128214 CIFC32.5 H66 Cl7 Cr3 O6P 3 1 c12.435; 12.435; 15.058
90; 90; 120		2016.5Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko
A trinuclear chromium(iii) chlorocarbyne.
Chemical communications (Cambridge, England), 2021, 57, 5199-5202
7132856 CIFC27 H50 Mn3 N6 O53 P W9P 3 1 c18.9481; 18.9481; 29.4882
90; 90; 120		9168.8Liu, Fangcheng; Han, Shicheng; Dong, Liwei; Fang, Xikui
Functionalized polyoxometalates enable fast ion transport in solid-state batteries at room temperature.
Chemical communications (Cambridge, England), 2024, 60, 4198-4201
7158130 CIFC17 H17 Cl2 N OP 3 1 c17.8125; 17.8125; 8.4655
90; 90; 120		2326.1Wang, Fang; Liu, Xiaoli; Wang, Lei
Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.
Organic & biomolecular chemistry, 2021, 19, 6141-6146
7203337 CIFC66 H132 Fe7 N3 O33P 3 1 c15.7648; 15.7648; 21.1873
90; 90; 120		4560.19Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.
Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively
Journal of Materials Chemistry, 2006, 16, 2690
7203338 CIFC63 H126 Fe7 N3 O33P 3 1 c15.5829; 15.5829; 20.893
90; 90; 120		4393.7Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.
Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively
Journal of Materials Chemistry, 2006, 16, 2690
7204876 CIFC42 H42 Fe N14 O8P 3 1 c19.3682; 19.3682; 18.9884
90; 90; 120		6168.8Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph
Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit
CrystEngComm, 2004, 6, 126
7205916 CIFAl2 N18.939 O2.061 Si9 Y6.313P 3 1 c9.84196; 9.84196; 10.68317
90; 90; 120		896.177Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun
Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry
Journal of Materials Chemistry, 2011, 21, 5780
7207957 CIFC16 H16.33 N5.83 O5.17 Tb0.5P 3 1 c19.5224; 19.5224; 8.4283
90; 90; 120		2781.87Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong
Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna
CrystEngComm, 2012, 14, 3868
7207960 CIFC16 H16.33 Eu0.5 N5.83 O5.17P 3 1 c19.5543; 19.5543; 8.4847
90; 90; 120		2809.65Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong
Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna
CrystEngComm, 2012, 14, 3868
7213110 CIFC25 H48 Cl N3 O9P 3 1 c15.7087; 15.7087; 7.4783
90; 90; 120		1598.14Lovell, Scott; Marquardt, Brian J.; Kahr, Bart
Crystal violet’s shoulder
Journal of the Chemical Society, Perkin Transactions 2, 1999, 2241
7215283 CIFC2 H5 Cu I N SP 3 1 c11.7896; 11.7896; 8.1509
90; 90; 120		981.15Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.
Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks
CrystEngComm, 2014, 16, 8224
7221741 CIFC51 H43 Co7 O43.5P 3 1 c16.2712; 16.2712; 17.2772
90; 90; 120		3961.3Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng
[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels
CrystEngComm, 2015, 17, 7034
7221890 CIFC21 H12 N3 O7 PP 3 1 c12.5995; 12.5995; 7.5587
90; 90; 120		1039.16Harvey, Benjamin Grant; Chafin, Andrew; Garrison, Michael; Cambrea, Lee; Groshens, Thomas J.
Synthesis, Characterization, and Cure Chemistry of High Performance Phosphate Cyanate Ester Resins
RSC Adv., 2015
7222169 CIFC33 H72 Br7 N3 Zn2P 3 1 c14.7234; 14.7234; 12.4759
90; 90; 120		2342.17Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas
Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry
RSC Adv., 2015
7222994 CIFCa Li O4 PP 3 1 c7.5247; 7.5247; 9.9657
90; 90; 120		488.671Lightfoot, P.; Pienkowski, M.C.; Bruce, P.G.; Abrahams, I.
Synthesis and structure of LiCaPO4 by combined x-ray and neutron powder diffraction
Journal of Materials Chemistry, 1991, 1, 1061-1063
7235016 CIFB10 Ba3 H5 Li O21P 3 1 c10.1984; 10.1984; 8.7126
90; 90; 120		784.77Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang
Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material
Journal of Materials Chemistry C, 2016, 4, 8189-8196
7245749 CIFC60 H28 O33 Zn6P 3 1 c16.5095; 16.5095; 24.5306
90; 90; 120		5790.4Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng
A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties
CrystEngComm, 2022
7246996 CIFCs3 I8 O24 TaP 3 1 c8.07743; 8.07743; 23.4262
90; 90; 120		1323.67Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.
New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction
CrystEngComm, 2023, 25, 4364-4369
7248201 CIFC24.5 H67 Si7 YbP 3 1 c16.18; 16.18; 8.5692
90; 90; 120		1942.8Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.
Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations.
Physical chemistry chemical physics : PCCP, 2024, 26, 8734-8747
7704445 CIFC51 H78.5 F10 N5 O3.75P 3 1 c40.29774; 40.29774; 17.08786
90; 90; 120		24031.4Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia
Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 9231-9238
7713939 CIFC63 H69 B Cu F4 P3 S3 Si3P 3 1 c15.6433; 15.6433; 16.0019
90; 90; 120		3391.24Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana
New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions
Dalton Transactions, 2023
8101046 CIFC12 H36 Bi2 I9 N3P 3 1 c9.908; 9.908; 23.42
90; 90; 120		1991Feldmann, Claus
Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, [N(CH~3~)~4~]~3~Bi~2~I~9~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 465-466
8101307 CIFBa3 N4 WP 3 1 c18.473; 18.473; 10.427
90; 90; 120		3081.5Höhn, Peter; Kniep, Rüdiger
Crystal structure of the high temperature phase of tribarium [tetranitridotungstate(VI)], HT-Ba~3~[WN~4~]
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 329-330
8101309 CIFBa3 Mo N4P 3 1 c18.441; 18.441; 10.401
90; 90; 120		3063.2Höhn, Peter; Kniep, Rüdiger
Crystal structure of the high temperature phase of tribarium [tetranitridomolybdate(VI)], HT-Ba~3~[MoN~4~]
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 327-328
8103065 CIFCa7 F3 K O12 Si3P 3 1 c10.8161; 10.8161; 6.6469
90; 90; 120		673.43Krüger, Hannes
Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides
Zeitschrift für Kristallographie - Crystalline Materials, 2010, 225, 418-424
8103958 CIFAl2 Ca H8 O31 Pb3 Si10P 3 1 c8.555; 8.555; 20.19
90; 90; 120		1279.7Hesse, K.F.; Liebau, F.; Eulert, H.H.
Wickenburgite, a double-layer silicate Pb3 Al[6](Ca[6] Al[4] Si10[4] O27 (H2 O)3) * (H2 O): crystal chemistry and thermal behaviour
Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 542-552
8104096 CIFH2 Hg8 O17 Se4P 3 1 c5.8908; 5.8908; 31.048
90; 90; 120		933.067Weil, M.
The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry
Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 621-629
8104596 CIFC6 H18 Cl N3 O7 SP 3 1 c8.399; 8.399; 9.6208
90; 90; 120		587.76Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina
Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1319-1321
9001547 CIFAl Cl Cu6 H15 O19 SP 3 1 c8.254; 8.254; 14.354
90; 90; 120		846.901Hawthorne, F. C.; Kimata, M.; Eby, R. K.
The crystal structure of spangolite, a complex copper sulfate sheet mineral
American Mineralogist, 1993, 78, 649-652
9001818 CIFAl K O4 SiP 3 1 c5.157; 5.157; 8.706
90; 90; 120		200.513Cellai, D.; Bonazzi, P.; Carpenter, M. A.
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
American Mineralogist, 1997, 82, 276-279
9002510 CIFBi12 Cr4 H6 O33P 3 1 c15.067; 15.067; 15.293
90; 90; 120		3006.61Burns, P. C.; Roberts, A. C.; Stirling, J. A. R.; Criddle, A. J.; Feinglos, M. N.
Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, Brazil: Description and crystal structure
American Mineralogist, 2000, 85, 1822-1827
9003567 CIFH35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72P 3 1 c14.519; 14.519; 21.062
90; 90; 120		3845.06Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Pakhomovsky, Y. A.; Weber, H.-P.; Depmeier, W.
Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate from Kola peninsula, Russia
American Mineralogist, 2004, 89, 1816-1821
9004308 CIFAl1.97 Ca Fe0.03 H3 O27 Pb3 Si10P 3 1 c8.56; 8.56; 20.19
90; 90; 120		1281.19Lam, A. E.; Groat, L. A.
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement
The Canadian Mineralogist, 1994, 32, 525-532
9004309 CIFAl1.81 Ca Fe0.19 H3 O27 Pb3 Si10P 3 1 c8.546; 8.546; 20.168
90; 90; 120		1275.61Lam, A. E.; Groat, L. A.
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement
The Canadian Mineralogist, 1994, 32, 525-532
9004841 CIFB1.09 Ca6 Fe0.59 O49.92 S2.24P 3 1 c11.188; 11.188; 21.91
90; 90; 120		2375.08Pushcharovsky, D. Y.; Lebedeva, Y. S.; Zubkova, N. V.; Pasero, M.; Bellezza, M.; Merlino, S.; Chukanov, N. V.
The crystal structure of sturmanite Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa
The Canadian Mineralogist, 2004, 42, 723-729
9005290 CIFAl12 Ca5 Cl2.9 F0.1 K2.36 Na8.64 O60 S3 Si12P 3 1 c12.8013; 12.8013; 21.4119
90; 90; 120		3038.74Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.
Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering
European Journal of Mineralogy, 1997, 9, 21-30
9005631 CIFAl18 Ca2.91 Cl0.99 H14 K5.37 Na15.5 O90.98 S4 Si18P 3 1 c12.88; 12.88; 31.761
90; 90; 120		4563.06Bonaccorsi, E.; Orlandi, P.
Marinellite, a new feldspathoid of the cancrinite-sodalite group
European Journal of Mineralogy, 2003, 15, 1019-1027
9011103 CIFAl2 Ca6 H66 O49.68 S3P 3 1 c11.26; 11.26; 21.48
90; 90; 120		2358.53Moore, A. E.; Taylor, H. F. W.
Crystal structure of ettringite
Acta Crystallographica, Section B, 1970, 26, 386-393
9011932 CIFAl5.88 Ca0.94 Cl0.48 H2 K1.6 Na4.8 O24.48 S3.54 Si6.12P 3 1 c12.859; 12.859; 10.697
90; 90; 120		1531.82Pobedimskaya, E. A.; Terent'eva, L. E.; Sapozhnikov, A. N.; Kashaev, A. A.; Dorokhova, G. I.
Crystal structure of bystrite
Doklady Akademii Nauk SSSR, 1991, 319, 873-878
9012057 CIFN3.99 Si2.925P 3 1 c7.766; 7.766; 5.615
90; 90; 120		293.275Kohatsu, I.; McCauley, J. W.
Re-examination of the crystal structure of alpha-Si3N4
Materials Research Bulletin, 1974, 9, 917-920
9012685 CIFAl24 Ca2.665 Cl H10 K8.076 Na21.256 O118.45 S5 Si24P 3 1 c12.856; 12.856; 42.256
90; 90; 120		6048.26Bonaccorsi, E.
The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy
Microporous and Mesoporous Materials, 2004, 73, 129-136
9012757 CIFAl5 H O8P 3 1 c5.6153; 5.6153; 8.8249
90; 90; 120		240.983Demichelis, 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
9012922 CIFAl2 Ca6 H60.602 O49.496 S3P 3 1 c11.166881; 11.166881; 21.35366
90; 90; 120		2306.04Hartman, M. R.; Berliner, R.
Investigation of the structure of ettringite by time-of-flight neutron powder diffraction techniques Locality: synthetic
Cement and Concrete Research, 2006, 36, 364-370
9013139 CIFN4 Si3P 3 1 c7.765; 7.765; 5.6275
90; 90; 120		293.852Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.
Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances
Ceramics International, 1995, 21, 137-142
9013996 CIFC0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12P 3 1 c12.892; 12.892; 21.34
90; 90; 120		3071.61Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A.
Crystal structure of alloriite
Doklady Earth Sciences, 2007, 415, 815-819
9014830 CIFAl K0.985 O4 SiP 3 1 c5.1665; 5.1665; 8.7248
90; 90; 120		201.687Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 298 K
American Mineralogist, 2010, 95, 1027-1034
9014956 CIFBa O9 Si3 TiP 3 1 c11.3177; 11.3177; 9.6293
90; 90; 120		1068.17Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa
American Mineralogist, 2012, 97, 1749-1763
9014995 CIFAl K0.983 O4 SiP 3 1 c5.156; 5.156; 8.745
90; 90; 120		201.334Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 150 K
American Mineralogist, 2010, 95, 1027-1034
9015084 CIFAl2 Ca6 H64 O50 S3P 3 1 c11.229; 11.229; 21.478
90; 90; 120		2345.34Goetz-Neunhoeffer F; Neubauer, J.
Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis
Powder Diffraction, 2006, 21, 4-11
9015139 CIFAl K0.985 O4 SiP 3 1 c5.1627; 5.1627; 8.7392
90; 90; 120		201.723Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 225 K
American Mineralogist, 2010, 95, 1027-1034
9015502 CIFBa O9 Si3 TiP 3 1 c11.2984; 11.2984; 9.6051
90; 90; 120		1061.86Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa
American Mineralogist, 2012, 97, 1749-1763
9015536 CIFAl K0.984 O4 SiP 3 1 c5.1531; 5.1531; 8.7523
90; 90; 120		201.275Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K
American Mineralogist, 2010, 95, 1027-1034
9016271 CIFAl K0.987 O4 SiP 3 1 c5.1588; 5.1588; 8.7383
90; 90; 120		201.398Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 200 K
American Mineralogist, 2010, 95, 1027-1034
9016430 CIFAl K0.982 O4 SiP 3 1 c5.1627; 5.1627; 8.7352
90; 90; 120		201.631Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 250 K
American Mineralogist, 2010, 95, 1027-1034
9016450 CIFBa O9 Si3 TiP 3 1 c11.3382; 11.3382; 9.6584
90; 90; 120		1075.29Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa
American Mineralogist, 2012, 97, 1749-1763
9016484 CIFAl K0.98 O4 SiP 3 1 c5.1589; 5.1589; 8.7438
90; 90; 120		201.532Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 175 K
American Mineralogist, 2010, 95, 1027-1034
9016533 CIFAl12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12P 3 1 c12.7961; 12.7961; 21.4094
90; 90; 120		3035.92Ballirano, P.; Bosi, F.
Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
American Mineralogist, 2012, 97, 630-640
9016578 CIFC H6.96 Al6 K0.36 Na7.561 O30.48 Si6P 3 1 c12.6678; 12.6678; 10.3401
90; 90; 120		1437Khomyakov, A. P.; Camara, F.; Sokolova, E.
Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
The Canadian Mineralogist, 2010, 48, 291-300
9016619 CIFAl K0.986 O4 SiP 3 1 c5.1652; 5.1652; 8.7326
90; 90; 120		201.766Gatta, G. D.; Angel, R. J.; Carpenter, M. A.
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 275 K
American Mineralogist, 2010, 95, 1027-1034
9017146 CIFAl2 Ca6 H66 O51 S3P 3 1 c11.171; 11.171; 21.364
90; 90; 120		2308.86Gatta, G. D.; Halenius, U.; Bosi, F.; Canadillas-Delgado L; Fernandez-Diaz M T
Minerals in cement chemistry: A single-crystal neutron diffraction study of ettringite, Ca6Al2(SO4)3(OH)12·27H2O
American Mineralogist, 2019, 104, 73-78
9017152 CIFAl1.97 Ca Fe0.03 H6 O30 Pb3 Si10P 3 1 c8.56; 8.56; 20.19
90; 90; 120		1281.19Lam, A. E.; Groat, L. A.
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement
The Canadian Mineralogist, 1994, 32, 525-532
9017153 CIFAl1.81 Ca Fe0.19 H6 O30 Pb3 Si10P 3 1 c8.546; 8.546; 20.168
90; 90; 120		1275.61Lam, A. E.; Groat, L. A.
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement
The Canadian Mineralogist, 1994, 32, 525-532
9017163 CIFAl0.338 Fe2.662 H20.001 K O30 P6P 3 1 c9.044; 9.044; 16.706
90; 90; 120		1183.38Hu, Z. B.; Wang, C. X.; Tong, C. Q.; Huang, Y. X.; Pan, Y.; Mi, J. X.
Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O
The Canadian Mineralogist, 2013, 51, 223-232
9017418 CIFC2 H Na O7 Pb2P 3 1 c5.268; 5.268; 13.48
90; 90; 120		323.975Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y.
Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH)
Crystallography Reports, 2002, 47, 217-222

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