Crystallography Open Database
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Searching space group like 'P 63'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7112029 | CIF | C33 H48 Fe N5 O6 S3 | P 63 | 13.6656; 13.6656; 12.2841 90; 90; 120 | 1986.7 | Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand Chem.Commun., 2014, 50, 2515 |
7112030 | CIF | C33 H48 Ga N5 O6 S3 | P 63 | 13.645; 13.645; 12.2882 90; 90; 120 | 1981.4 | Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand Chem.Commun., 2014, 50, 2515 |
7112844 | CIF | C92 H118 Ag3 B3 Cl4 F12 N12 O3 | P 63 | 14.5393; 14.5393; 27.7615 90; 90; 120 | 5082.3 | Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties. Chemical communications (Cambridge, England), 2010, 46, 4728-4730 |
7112845 | CIF | C47 H62 B3 F12 N7 O | P 63 | 17.0096; 17.0096; 11.8953 90; 90; 120 | 2980.5 | Wang, Dehui; Zhang, Bingguang; He, Cheng; Wu, Pengyan; Duan, Chunying A new chiral N-heterocyclic carbene silver(I) cylinder: synthesis, crystal structure and catalytic properties. Chemical communications (Cambridge, England), 2010, 46, 4728-4730 |
7114534 | CIF | C24 H15 Cl9 N6 O9 | P 63 | 14.6173; 14.6173; 8.3838 90; 90; 120 | 1551.3 | Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W. 2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon Chemical Communications, 2002, 952 |
7114838 | CIF | C27 H15 Cl3 I3 N3 O3 | P 63 | 15.4817; 15.4817; 7.0107 90; 90; 120 | 1455.22 | Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W. Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo) Chemical Communications, 2001, 919 |
7114839 | CIF | C27 H15 Br6 N3 O3 | P 63 | 15.442; 15.442; 6.9909 90; 90; 120 | 1443.7 | Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W. Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo) Chemical Communications, 2001, 919 |
7114840 | CIF | C27 H15 Br3 I3 N3 O3 | P 63 | 15.6268; 15.6268; 7.0464 90; 90; 120 | 1490.2 | Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W. Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo) Chemical Communications, 2001, 919 |
7115027 | CIF | C21 H27 K Mn O1.5 | P 63 | 9.086; 9.086; 19.164 90; 90; 120 | 1370.1 | Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf Chemical Communications, 2001, 1956 |
7116732 | CIF | C36 H24 Co3 N13 Na O15.25 | P 63 | 13.1191; 13.1191; 16.014 90; 90; 120 | 2386.92 | Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction Chem.Commun., 2015, 51, 5108 |
7116733 | CIF | C36 H27 Co3 N13 Na O15 | P 63 | 13.1177; 13.1177; 16.005 90; 90; 120 | 2385.07 | Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction Chem.Commun., 2015, 51, 5108 |
7117871 | CIF | C9 H16 Co N O5 P | P 63 | 18.3143; 18.3143; 6.1688 90; 90; 120 | 1791.9 | Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi Homochiral metal phosphonate nanotubes. Chemical communications (Cambridge, England), 2015, 51, 15141-15144 |
7117872 | CIF | C9 H16 Co N O5 P | P 63 | 18.288; 18.288; 6.168 90; 90; 120 | 1786.5 | Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi Homochiral metal phosphonate nanotubes. Chemical communications (Cambridge, England), 2015, 51, 15141-15144 |
7117873 | CIF | C9 H16 N Ni O5 P | P 63 | 18.0812; 18.0812; 6.1296 90; 90; 120 | 1735.5 | Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi Homochiral metal phosphonate nanotubes. Chemical communications (Cambridge, England), 2015, 51, 15141-15144 |
7117874 | CIF | C9 H16 N Ni O5 P | P 63 | 18.1621; 18.1621; 6.168 90; 90; 120 | 1762 | Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi Homochiral metal phosphonate nanotubes. Chemical communications (Cambridge, England), 2015, 51, 15141-15144 |
7118505 | CIF | C1.33 H9.77 Al B5 N1.33 O10.88 | P 63 | 21.4013; 21.4013; 7.1696 90; 90; 120 | 2843.8 | Cao, Gao-Juan; Wei, Qi; Cheng, Jian-Wen; Cheng, Lin; Yang, Guo-Yu A zeolite CAN-type aluminoborate with gigantic 24-ring channels. Chemical communications (Cambridge, England), 2016, 52, 1729-1732 |
7118830 | CIF | C192 H240 B6.25 F25 Fe4 N38 | P 63 | 40.6845; 40.6845; 34.133 90; 90; 120 | 48929 | Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties. Chemical communications (Cambridge, England), 2016, 52, 4796-4799 |
7119024 | CIF | C61.4 H43.6 Cl4 N2 O6.2 | P 63 | 29.44; 29.44; 11.679 90; 90; 120 | 8766 | Midori Nagamoto; Daisuke Yamauchi; Takahiro Nishimura Iridium-catalyzed asymmetric [3+2] annulation of aromatic ketimines with alkynes via C-H activation: unexpected inversion of the enantioselectivity induced by protic acids Chem.Commun., 2016, 52, 5876 |
7122954 | CIF | C9 H16 Fe N O5 P | P 63 | 18.3354; 18.3354; 6.1492 90; 90; 120 | 1790.32 | Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel Chemical Communications, 2019 |
7122955 | CIF | C9 H16 Fe N O5 P | P 63 | 18.4179; 18.4179; 6.1607 90; 90; 120 | 1809.84 | Jia, Jia-Ge; Feng, Jian-Shen; Huang, Xin-Da; Bao, Song-Song; Zheng, Li-Min Homochiral Iron(II)-based metal-organic nanotubes: metamagnetism and selective nitric oxide adsorption in confined channel Chemical Communications, 2019 |
7123192 | CIF | C3 H15 Cl O25 Y8 | P 63 | 9.5089; 9.5089; 14.673 90; 90; 120 | 1148.97 | Zhang, Yiting; Long, Ying; Dong, Xuehua; Wang, Lei; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Wang, Xin; Zou, Guohong Y8O(OH)15(CO3)3Cl: An Excellent Short-Wave UV Nonlinear Optical Material Exhibiting Infrequent Three-Dimensional Inorganic Cationic Framework Chemical Communications, 2019 |
7123736 | CIF | C51 H54 N6 O9 | P 63 | 19.4557; 19.4557; 7.0842 90; 90; 120 | 2322.28 | Basuyaux, Gaëtan; Desmarchelier, Alaric; Gontard, Geoffrey; Vanthuyne, Nicolas; Moussa, Jamal; Amouri, Hani Haniel; Raynal, Matthieu; Bouteiller, Laurent Extra hydrogen bonding interactions by peripheral indole groups stabilize benzene-1,3,5-tricarboxamide helical assemblies Chemical Communications, 2019 |
7124713 | CIF | C36 H41 N3 O10 S3 | P 63 | 14.5223; 14.5223; 10.2703 90; 90; 120 | 1875.8 | Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J. M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand. Chemical communications (Cambridge, England), 2016, 52, 8699-8702 |
7127011 | CIF | C55 H92 Li N4 O4 P3 Sn | P 63 | 13.6945; 13.6945; 18.3276 90; 90; 120 | 2976.7 | Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C. Bimetallic iron-tin catalyst for N<sub>2</sub> to NH<sub>3</sub> and a silyldiazenido model intermediate. Chemical communications (Cambridge, England), 2020, 56, 11030-11033 |
7128362 | CIF | C42.75 H51 N6 O0.75 | P 63 | 20.45; 20.45; 5.9423 90; 90; 120 | 2152.1 | He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I. Creating porosity in a trianglimine macrocycle by heterochiral pairing. Chemical communications (Cambridge, England), 2021, 57, 6141-6144 |
7129930 | CIF | C41 H77 Ca Cu6 N6 O33 S6 V | P 63 | 17.8884; 17.8884; 12.8853 90; 90; 120 | 3570.8 | Negro, Cristina; Bilanin Artigado, Cristina; Qu, Xiaoni; Oliver-Meseguer, Judit; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio Epoxidation vs. dehydrogenation of allylic alcohols: Heterogenization of the VO(acac)2 catalyst in a metal-organic framework Chemical Communications, 2022 |
7131143 | CIF | C18 H27 B2 Co F8 N12 P S | P 63 | 9.9868; 9.9868; 16.0438 90; 90; 120 | 1385.77 | Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design. Chemical communications (Cambridge, England), 2023, 59, 952-955 |
7131144 | CIF | C18 H27 Cl2 Co N12 O8 P S | P 63 | 10.1198; 10.1198; 16.131 90; 90; 120 | 1430.7 | Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co<sup>II</sup> mononuclear SMMs by molecular structure design. Chemical communications (Cambridge, England), 2023, 59, 952-955 |
7131318 | CIF | Cl2 Ge3 Li0 S9 Sr4 | P 63 | 9.5194; 9.5194; 11.726 90; 90; 120 | 920.24 | Song, Yufei; Qian, Zhen; Zhou, Boru; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Wu, Hongping A non-centrosymmetric chalcohalide synthesized through the combination of chemical tailoring with aliovalent substitution. Chemical communications (Cambridge, England), 2023, 59, 3309-3312 |
7132462 | CIF | C9 H15 F3 O3 | P 63 | 11.4469; 11.4469; 4.7028 90; 90; 120 | 533.66 | Haridas, Shyamkumar V.; von Delius, Max Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol. Chemical communications (Cambridge, England), 2024, 60, 606-609 |
7150409 | CIF | C47 H42 F18 N7 P3 | P 63 | 11.9328; 11.9328; 20.0477 90; 90; 120 | 2472.18 | Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W. Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction. Organic & biomolecular chemistry, 2006, 4, 781-786 |
7150820 | CIF | C11 H16 O4 | P 63 | 14.3428; 14.3428; 8.9246 90; 90; 120 | 1589.96 | Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B. The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles Organic & Biomolecular Chemistry, 2008, 6, 693-702 |
7150878 | CIF | C18 H28 N2 O3 | P 63 | 21.127; 21.127; 7.5223 90; 90; 120 | 2907.7 | Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework Organic & Biomolecular Chemistry, 2008, 6, 1926-1933 |
7200897 | CIF | Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3 | P 63 | 9.5049; 9.5049; 6.9484 90; 90; 120 | 543.64 | Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections CrystEngComm, 2009, 11, 1863 |
7201779 | CIF | C26 H41 Cr Mn N3 O14 | P 63 | 9.41; 9.41; 17.809 90; 90; 120 | 1365.7 | Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Romero, Francisco M.; Tarazón, Ana Layered ferromagnets hosting tetraalkylammonium-substituted nitronyl nitroxide free radicals Journal of Materials Chemistry, 2008, 18, 929 |
7202508 | CIF | I3 In O9 | P 63 | 9.541; 9.541; 5.266 90; 90; 120 | 415.14 | Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates Journal of Materials Chemistry, 2007, 17, 1123 |
7202572 | CIF | La8.898 O25.96 Si6 | P 63 | 9.725; 9.725; 7.189 90; 90; 120 | 588.814 | Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F. Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates Journal of Materials Chemistry, 2007, 17, 2078 |
7202573 | CIF | Ba1.076 La8.924 O25.869 Si6 | P 63 | 9.74; 9.74; 7.267 90; 90; 120 | 597.04 | Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F. Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates Journal of Materials Chemistry, 2007, 17, 2078 |
7202574 | CIF | La8.898 O25.886 Si6 Sr | P 63 | 9.705; 9.705; 7.215 90; 90; 120 | 588.516 | Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F. Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates Journal of Materials Chemistry, 2007, 17, 2078 |
7202575 | CIF | Ca1.258 La8.742 O25.879 Si6 | P 63 | 9.68; 9.68; 7.161 90; 90; 120 | 581.106 | Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F. Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates Journal of Materials Chemistry, 2007, 17, 2078 |
7203310 | CIF | C18 H9 Cl3 N6 O3 | P 63 | 17.249; 17.249; 12.0227 90; 90; 120 | 3097.9 | Saha, Binoy K.; Nangia, Ashwini Self-assembled organic tubular host for van der Waals guest inclusion CrystEngComm, 2006, 8, 440 |
7203794 | CIF | C3 H15 N6 P S | P 63 | 9.1213; 9.1213; 7.1103 90; 90; 120 | 512.31 | Chandrasekhar, Vadapalli; Azhakar, Ramachandran A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3} CrystEngComm, 2005, 7, 346 |
7207235 | CIF | C34 H42 B4 Cu4 F16 N12 O6 | P 63 | 14.384; 14.384; 15.215 90; 90; 120 | 2726.2 | Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents CrystEngComm, 2012, 14, 1345 |
7216066 | CIF | C48 H44 B Cu6 F4 I5 N12 O S6 | P 63 | 13.5662; 13.5662; 20.1867 90; 90; 120 | 3217.5 | Peng, Rong; Wu, Tao; Li, Dan A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices CrystEngComm, 2005, 7, 595 |
7216096 | CIF | C30 H24 N6 O6 | P 63 | 15.393; 15.393; 6.6615 90; 90; 120 | 1366.9 | Süss, Heike I.; Neels, Antonia; Hulliger, J. 2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering CrystEngComm, 2005, 7, 370 |
7218067 | CIF | C3 H7 N O6 Zn | P 63 | 12.5946; 12.5946; 8.2087 90; 90; 120 | 1127.65 | Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K. Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework CrystEngComm, 2015, 17, 370 |
7220709 | CIF | Fe0.5 Ge La3 Se7 | P 63 | 10.7186; 10.7186; 6.0797 90; 90; 120 | 604.91 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7220710 | CIF | Ga La3 Mn Se7 | P 63 | 10.5894; 10.5894; 6.3458 90; 90; 120 | 616.25 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7220711 | CIF | Ce3 Fe0.5 Se7 Si | P 63 | 10.638; 10.638; 6.0079 90; 90; 120 | 588.81 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7220712 | CIF | Ce3 Mn0.5 Se7 Si | P 63 | 10.6684; 10.6684; 6.0127 90; 90; 120 | 592.65 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7220713 | CIF | Fe0.5 Se7 Si Sm3 | P 63 | 10.4075; 10.4075; 5.9566 90; 90; 120 | 558.76 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7220714 | CIF | Ge Mn0.5 Se7 Sm3 | P 63 | 10.3958; 10.3958; 6.0175 90; 90; 120 | 563.2 | He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7 RSC Adv., 2015 |
7223475 | CIF | C21 H33 B2 Cu F8 N9 | P 63 | 11.0381; 11.0381; 13.102 90; 90; 120 | 1382.47 | Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms RSC Adv., 2015 |
7224613 | CIF | C36 H176 N9 Na9 O223 Se6 Sn6 W54 | P 63 | 27.5538; 27.5538; 22.0582 90; 90; 120 | 14503.2 | Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18− CrystEngComm, 2016, 18, 2820 |
7226302 | CIF | Ag3 F O15 Se4 Ti3 | P 63 | 12.8975; 12.8975; 5.218 90; 90; 120 | 751.7 | Qian, Cheng; Kong, Fang; Mao, Jianggao A Series of New Silver Selenites with d0-TM Cations RSC Adv., 2016 |
7227107 | CIF | C3 H8 Fe N2 O6 | P 63 | 7.946; 7.946; 7.618 90; 90; 120 | 416.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
7227108 | CIF | C3 H8 Mn N2 O6 | P 63 | 7.988; 7.988; 7.807 90; 90; 120 | 431.4 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
7227711 | CIF | C24 H20.67 Br N O4.33 | P 63 | 26.744; 26.744; 4.997 90; 90; 120 | 3095.2 | Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P. Halogen bonding modulates hydrogel formation from Fmoc amino acids CrystEngComm, 2017, 19, 1870 |
7227714 | CIF | C24 H20.67 I N O4.33 | P 63 | 26.878; 26.878; 4.999 90; 90; 120 | 3127.6 | Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P. Halogen bonding modulates hydrogel formation from Fmoc amino acids CrystEngComm, 2017, 19, 1870 |
7229595 | CIF | B3.51 Ba7 F3.47 O10.53 | P 63 | 11.18241; 11.18241; 7.2372 90; 90; 120 | 783.74 | Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu. Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x CrystEngComm, 2012, 14, 6910 |
7233735 | CIF | Ba4 Cl Ge3 Na S10 | P 63 | 9.7653; 9.7653; 12.0581 90; 90; 120 | 995.82 | Kai Feng; Lei Kang; Zheshuai Lin; Jiyong Yao; Yicheng Wu Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response Journal of Materials Chemistry C, 2014, 2, 4590-4596 |
7236547 | CIF | C36 H78 Ca Cu6 N6 O34 | P 63 | 17.783; 17.783; 12.889 90; 90; 120 | 3529.9 | Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs Journal of Materials Chemistry A, 2017, 5, 11032 |
7236548 | CIF | C42 H86 Ca Cu6 N6 O32 | P 63 | 17.603; 17.603; 13.045 90; 90; 120 | 3501 | Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs Journal of Materials Chemistry A, 2017, 5, 11032 |
7239516 | CIF | C54 H60 N18 O42 P10 Zn9 | P 63 | 15.6464; 15.6464; 19.7878 90; 90; 120 | 4195.2 | Zhang, Jie; Yao, Zhenguo; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong A hybrid metal phosphate‒phosphite material grafted with electron deficient organic components showing interesting fluorescent and photosensitive properties Journal of Materials Chemistry A, 2013, 1, 4945 |
7242250 | CIF | Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 | P 63 | 10.1788; 10.1788; 6.0633 90; 90; 120 | 544.04 | Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold CrystEngComm, 2021, 23, 2133-2137 |
7245901 | CIF | C27 H15 Br3 Cl3 N3 O3 | P 63 | 15.25; 15.25; 6.8149 90; 90; 120 | 1372.6 | Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm, 2023, 25, 86-94 |
7247568 | CIF | C45 H63 Cu3 N6 O16 P | P 63 | 19.794; 19.794; 9.0285 90; 90; 120 | 3063.47 | Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties CrystEngComm, 2023, 25, 6132-6136 |
7701871 | CIF | C9 H20 Cl Fe N3 O10 P3 Zn2 | P 63 | 8.9323; 8.9323; 13.2617 90; 90; 120 | 916.34 | Liu, Sheng-Bo; Bao, Song-Song; Zheng, Li-Min Polar layered coordination polymers incorporating triazacyclononane-triphosphonate metalloligands. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3758-3765 |
7702539 | CIF | C37 H55 N3 Si3 | P 63 | 18.392; 18.392; 19.655 90; 90; 120 | 5758 | Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide Journal of the Chemical Society, Dalton Transactions, 2001, 964 |
7704916 | CIF | C6 H5 Cl Cu N O2 S | P 63 | 15.8563; 15.8563; 6.565 90; 90; 120 | 1429.45 | Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization. Dalton transactions (Cambridge, England : 2003), 2020, 49, 10545-10553 |
7704917 | CIF | C6 H5 Cl Cu N O2 S | P 63 | 15.8563; 15.8563; 6.565 90; 90; 120 | 1429.45 | Hassanein, Khaled; Cappuccino, Chiara; Amo-Ochoa, Pilar; López-Molina, Jesús; Maini, Lucia; Bandini, Elisa; Ventura, Barbara Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: synthesis, and structural, optical and electrical characterization. Dalton transactions (Cambridge, England : 2003), 2020, 49, 10545-10553 |
7708715 | CIF | C52 H48.75 Fe I3 P2.25 | P 63 | 15.8388; 15.8388; 46.513 90; 90; 120 | 10105.3 | Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles Dalton Transactions, 2021 |
7709027 | CIF | C26 H36 F6 Fe N18 O6 S2 | P 63 | 19.5869; 19.5869; 19.0349 90; 90; 120 | 6324.3 | Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2 Dalton Transactions, 2021 |
7709029 | CIF | C26 H36 F6 Fe N18 O6 S2 | P 63 | 19.0423; 19.0423; 19.1734 90; 90; 120 | 6021 | Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2 Dalton Transactions, 2021 |
7709030 | CIF | C26 H36 F6 Fe N18 O6 S2 | P 63 | 19.05; 19.05; 19.0504 90; 90; 120 | 5987.21 | Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2 Dalton Transactions, 2021 |
7709031 | CIF | C26 H36 F6 Fe N18 O6 S2 | P 63 | 19.4504; 19.4504; 18.729 90; 90; 120 | 6136.24 | Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2 Dalton Transactions, 2021 |
7709140 | CIF | Al2 Ba O4 | P 63 | 10.47; 10.47; 8.819 90; 90; 120 | 837.227 | Yin, Xiaomeng; Lin, Hui; Zhang, Dawei; Hong, Ruijin; Tao, Chunxian; Han, Zhaoxia; Zhou, Shengming; Zhang, Zhi-Jun; Zheng, Guanhaoije BaAl<sub>2</sub>O<sub>4</sub>:Eu<sup>2+</sup>-Al<sub>2</sub>O<sub>3</sub> ceramics for wide range optical temperature sensing. Dalton transactions (Cambridge, England : 2003), 2022, 51, 1784-1790 |
7711569 | CIF | Bi12.89 Br2.85 S17.15 | P 63 | 15.473; 15.473; 4.0041 90; 90; 120 | 830.2 | Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3 Dalton Transactions, 2022 |
7711914 | CIF | C36 H130 Cl0.5 Fe3 N9 Na0.5 O88 P2 W15 | P 63 | 16.376; 16.376; 25.646 90; 90; 120 | 5956.2 | Izarova, Natalya V.; Faassen, Fabian; Kögerler, Paul Tris-decorated multi-iron polyoxotungstates. Dalton transactions (Cambridge, England : 2003), 2023, 52, 546-550 |
7713114 | CIF | C27 H22 Fe2 O6 P S6 | P 63 | 10.0805; 10.0805; 17.8516 90; 90; 120 | 1570.98 | Taniai, Ryosuke; Endo, Tsubasa; KANETOMO, Takuya; Okazawa, Atsushi; Kadobayashi, Hirokazu; Kawaguchi, Saori I.; Enomoto, Masaya 57Fe Mössbauer Spectroscopy and High-Pressure Structural Analysis for Mechanism of Pressure-Induced Unique Magnetic Behaviour in (cation)[FeIIFeIII(dto)3] (cation = Ph4P and nPrPh3P; dto = 1,2-dithiooxalato) Dalton Transactions, 2023 |
7713986 | CIF | C45 H60 N3 Ni3 P3 | P 63 | 15.101; 15.101; 12.0727 90; 90; 120 | 2384.2 | SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction Dalton Transactions, 2023 |
7714454 | CIF | C30 H58 N6 O30 S6 Sr Zn6 | P 63 | 18.5594; 18.5594; 11.7771 90; 90; 120 | 3513.2 | Bilanin Artigado, Cristina; Escamilla, Paula; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio Selective cycloaddition of ethylene oxide to CO2 within the confined space of an amino acid-based metal-organic framework Dalton Transactions, 2023 |
7714978 | CIF | C33 H42 Cl Mo12 N9 O43 P | P 63 | 14.4362; 14.4362; 18.673 90; 90; 120 | 3370.16 | Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties. Dalton transactions (Cambridge, England : 2003), 2024, 53, 3215-3223 |
7715512 | CIF | Cr I3 O9 | P 63 | 9.1319; 9.1319; 5.2815 90; 90; 120 | 381.43 | Chi, Yang; Xin, Mei-Ling Chromium iodate: the structure and origin of optical second harmonic generation. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7093-7099 |
8000112 | CIF | C20 H60 Cl4 Co2 N9 Na O22 Pt2 S5 | P 63 | 19.879; 19.879; 22.926 90; 90; 120 | 7846 | Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units Chemistry Letters, 2006, 35, 522 |
8102907 | CIF | Al La3 Mn Se7 | P 63 | 10.678; 10.678; 6.12 90; 90; 120 | 604.3 | L.-B. Wu; F.-Q. Huang Crystal structure of trilanthanum manganese aluminum heptaselenide, La~3~Mn~0.73~AlSe~7~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 305-306 |
8102914 | CIF | Ag La3 S7 Si | P 63 | 10.421; 10.421; 5.785 90; 90; 120 | 544.1 | L.-B. Wu; F.-Q. Huang Crystal structure of trilanthanum monosilver monosilicon heptasulfide, La~3~AgSiS~7~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 307-308 |
8103628 | CIF | C H4 Al6 Ca Na6 O29 Si6 | P 63 | 12.75; 12.75; 5.14 90; 90; 120 | 723.626 | Jarchow, O. Atomanordnung und Strukturverfeinerung von Cancrinit Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1965, 122, 407-422 |
8103755 | CIF | Ba Fe Ga O4 | P 63 | 10.8377; 10.8377; 8.6865 90; 90; 120 | 883.588 | Kahlenberg, V.; Parise, J.B.; Lee, Y.; Tripathi, A. Characterization of the stuffed framework structures Ba Al Ga O4 and Ba Fe Ga O4 Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 249-255 |
8103847 | CIF | C1.4 H5.76 Al6 Na7.6 O30.48 Si6 | P 63 | 12.725; 12.725; 5.177 90; 90; 120 | 725.98 | Gesing, T.M.; Buhl, J.C. Structure and spectroscopic properties of hydrogencarbonate containing alumosilicate sodalite and cancrinite Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 413-418 |
8104186 | CIF | Al3.52 K Na3 O16 Si4.48 | P 63 | 10.06; 10.06; 8.42 90; 90; 120 | 737.97 | Foreman, N.; Peacor, D.R. Refinement of the nepheline structure at several temperatures Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1970, 132, 45-70 |
8104308 | CIF | N4 Si3 | P 63 | 13.155; 13.155; 8.706 90; 90; 120 | 1304.76 | Hartmann, P. A uniform description of phenakite type structures as superstructures of beta-Si3N4 Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 139-143 |
8104311 | CIF | Al7.2 Na7.15 O32 Si8.8 | P 63 | 9.958; 9.958; 8.341 90; 90; 120 | 716.297 | Hippler, B.; Boehm, H. Structure investigation on sodium-nephelines Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 39-53 |
8104372 | CIF | Al22 Ba12.6666 O66 Si10 | P 63 | 9.955; 9.955; 18.59 90; 90; 120 | 1595.48 | Gebert, W. Die Kristallstruktur von Ba13 Al22 Si10 O66 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1972, 135, 437-452 |
8104950 | CIF | C25.71 H32.57 N9.86 O15 P3 Ru3 S3 | P 63 | 37.24213; 37.24213; 11.64828 90; 90; 120 | 13991.4 | Ebong, Wisdom; Muniz, Alexandra E.; Khan, David R.; Unruh, Daniel K.; Yarbrough, Jason C. Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3 Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 17-21 |
9000287 | CIF | Al3.6 K Na3 O15.999 Si4.4 | P 63 | 10.003; 10.003; 8.381 90; 90; 120 | 726.251 | Simmons, W. B.; Peacor, D. R. Refinement of the crystal structure of a volcanic nepheline American Mineralogist, 1972, 57, 1711-1719 |
9000484 | CIF | Al9 B Ca O18 Zr | P 63 | 8.715; 8.715; 8.472 90; 90; 120 | 557.252 | Moore, P. B.; Araki, T. Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite, B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9] American Mineralogist, 1976, 61, 88-94 |
9000724 | CIF | Mg7 O14 Si2 | P 63 | 7.8603; 7.8603; 9.573 90; 90; 120 | 512.22 | Horiuchi, H.; Morimoto, N.; Yamamoto, K.; Akimoto, S. I. Crystal structure of 2Mg2SiO4.3Mg(OH)2, a new high-pressure structure type American Mineralogist, 1979, 64, 593-598 |
9000964 | CIF | C3 H9 Na Ni4 O15 | P 63 | 10.34; 10.34; 6.097 90; 90; 120 | 564.531 | Engelhardt, L. M.; Hall, S. R.; White, A. H. Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints American Mineralogist, 1985, 70, 423-427 |
9001089 | CIF | Be3 Ca0.36 H7.26 K Li1.44 Na0.84 O15.01 P3 | P 63 | 11.655; 11.655; 4.692 90; 90; 120 | 551.967 | Peacor D R; Rouse R C; Ahn J-H Crystal structure of tiptopite, a framework beryllophosphate isotypic with basic cancrinite Note: U(1,2) for OH5 has been altered to match symmetry constraints. American Mineralogist, 1987, 72, 816-820 |
9001122 | CIF | H2.82 K2.4 Na0.58 O11.82 S3 Sb7 | P 63 | 14.2513; 14.2513; 5.59 90; 90; 120 | 983.222 | Sabelli, C.; Nakai, I.; Katsura, S. Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) American Mineralogist, 1988, 73, 398-404 |
9001123 | CIF | H3 Na3.61 O12 S3 Sb7 | P 63 | 14.152; 14.152; 5.5758 90; 90; 120 | 967.105 | Sabelli, C.; Nakai, I.; Katsura, S. Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue American Mineralogist, 1988, 73, 398-404 |
9001400 | CIF | Al9 H18 K4.002 Na10.998 O44.997 S1.5 Si9 | P 63 | 22.121; 22.121; 5.221 90; 90; 120 | 2212.55 | Merlino, S.; Mellini, M.; Bonaccorsi, E.; Pasero, M.; Leoni, L.; Orlandi, P. Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical composition and crystal structure American Mineralogist, 1991, 76, 2003-2008 |
9001882 | CIF | Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42 | P 63 | 5.334; 5.334; 14.37 90; 90; 120 | 354.073 | Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L. Crystal structure refinement of aluminian lizardite-2H2 American Mineralogist, 1997, 82, 931-935 |
9002252 | CIF | Al K O4 Si | P 63 | 5.1627; 5.1627; 8.706 90; 90; 120 | 200.957 | Cellai, D.; Gesing, T. M.; Wruck, B.; Carpenter, M. A. X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite American Mineralogist, 1999, 84, 1950-1955 |
9002534 | CIF | Al3 H1.17 N0.87 Na3.96 O15.78 Si3 | P 63 | 12.6666; 12.6666; 5.1808 90; 90; 120 | 719.859 | Fechtelkord, M.; Stief, F.; Buhl, J.-C. Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 296 K American Mineralogist, 2001, 86, 165-175 |
9002535 | CIF | Al3 H0.08 N0.82 Na3.87 O14.54 Si3 | P 63 | 12.7261; 12.7261; 5.2214 90; 90; 120 | 732.332 | Fechtelkord, M.; Stief, F.; Buhl, J.-C. Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 673 K American Mineralogist, 2001, 86, 165-175 |
9002569 | CIF | Al3 Cs H4.64 Li2.73 O16.64 Si3 | P 63 | 12.41595; 12.41595; 4.97019 90; 90; 120 | 663.535 | Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C.; Fyfe, C. A.; Groat, L. A.; Raudsepp, M. Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water system: An NMR spectroscopic and Rietveld refinement study American Mineralogist, 2001, 86, 881-888 |
9002580 | CIF | B0.09 Ca2.45 Ce1.05 F0.88 H0.12 La0.55 Nd0.3 O12.12 P0.12 Pr0.1 Si2.79 Sm0.05 Th0.35 U0.05 Y0.1 | P 63 | 9.547; 9.547; 6.991 90; 90; 120 | 551.828 | Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C. On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy American Mineralogist, 2001, 86, 1066-1075 |
9002581 | CIF | Ca1.03 Ce1.67 F0.88 H0.12 La1.47 Na0.5 Nd0.23 O12.12 P0.39 Pr0.1 Si2.55 | P 63 | 9.682; 9.682; 7.066 90; 90; 120 | 573.633 | Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C. On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: LOS from Rouma Island, Guinea American Mineralogist, 2001, 86, 1066-1075 |
9004040 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.28 Si3 | P 63 | 12.59; 12.59; 5.117 90; 90; 120 | 702.421 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: SC20 American Mineralogist, 2006, 91, 1117-1124 |
9004041 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.081 Si3 | P 63 | 12.5906; 12.5906; 5.1168 90; 90; 120 | 702.461 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 25 C American Mineralogist, 2006, 91, 1117-1124 |
9004042 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.068 Si3 | P 63 | 12.5979; 12.5979; 5.1243 90; 90; 120 | 704.306 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 101 C American Mineralogist, 2006, 91, 1117-1124 |
9004043 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O15.062 Si3 | P 63 | 12.6111; 12.6111; 5.1369 90; 90; 120 | 707.518 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 207 C American Mineralogist, 2006, 91, 1117-1124 |
9004044 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.999 Si3 | P 63 | 12.6268; 12.6268; 5.1514 90; 90; 120 | 711.283 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 298 C American Mineralogist, 2006, 91, 1117-1124 |
9004045 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.776 Si3 | P 63 | 12.6414; 12.6414; 5.158 90; 90; 120 | 713.842 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 405 C American Mineralogist, 2006, 91, 1117-1124 |
9004046 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.568 Si3 | P 63 | 12.6538; 12.6538; 5.1736 90; 90; 120 | 717.407 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 496 C American Mineralogist, 2006, 91, 1117-1124 |
9004047 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.534 Si3 | P 63 | 12.6508; 12.6508; 5.1707 90; 90; 120 | 716.665 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 511 C American Mineralogist, 2006, 91, 1117-1124 |
9004048 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.419 Si3 | P 63 | 12.656; 12.656; 5.1728 90; 90; 120 | 717.545 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 557 C American Mineralogist, 2006, 91, 1117-1124 |
9004049 | CIF | C0.76 H1.78 Al3 Ca0.75 Na3.01 O14.31 Si3 | P 63 | 12.6631; 12.6631; 5.1753 90; 90; 120 | 718.698 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 602 C American Mineralogist, 2006, 91, 1117-1124 |
9004050 | CIF | C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 | P 63 | 12.6696; 12.6696; 5.1755 90; 90; 120 | 719.463 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 648 C American Mineralogist, 2006, 91, 1117-1124 |
9004051 | CIF | C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 | P 63 | 12.6758; 12.6758; 5.1835 90; 90; 120 | 721.281 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 693 C American Mineralogist, 2006, 91, 1117-1124 |
9004052 | CIF | C0.742 Al3 Ca0.75 Na3.01 O14.226 Si3 | P 63 | 12.6886; 12.6886; 5.1924 90; 90; 120 | 723.979 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 800 C American Mineralogist, 2006, 91, 1117-1124 |
9004053 | CIF | C0.72 Al3 Ca0.75 Na3.01 O14.16 Si3 | P 63 | 12.7034; 12.7034; 5.2031 90; 90; 120 | 727.165 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 891 C American Mineralogist, 2006, 91, 1117-1124 |
9004054 | CIF | C0.732 Al3 Ca0.75 Na3.01 O14.196 Si3 | P 63 | 12.7187; 12.7187; 5.215 90; 90; 120 | 730.584 | Hassan, I.; Antao, S. M.; Parise, J. B. Cancrinite: Crystal structure, phase transitions, and dehydration behaviour with temperature Sample: T = 952 C American Mineralogist, 2006, 91, 1117-1124 |
9004162 | CIF | C0.76 H0.99 Al3 Ca0.75 Na3.01 O15.27 Si3 | P 63 | 12.59; 12.59; 5.117 90; 90; 120 | 702.421 | Grundy, H. D.; Hassan, I. The crystal structure of a carbonate-rich cancrinite Note: Si-y coordinate changed to match reported bond lengths The Canadian Mineralogist, 1982, 20, 239-251 |
9004172 | CIF | Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 | P 63 | 12.685; 12.685; 5.179 90; 90; 120 | 721.701 | Hassan, I.; Grundy, H. D. The character of the cancrinite-vishnevite solid-solution series The Canadian Mineralogist, 1984, 22, 333-349 |
9004215 | CIF | Al3.09 Ca Cl K0.84 Na1.65 O12 Si2.91 | P 63 | 12.854; 12.854; 5.357 90; 90; 120 | 766.529 | Hassan, I.; Grundy, H. D. Structure of davyne and implications for stacking faults Sample BM1907,210 The Canadian Mineralogist, 1990, 28, 341-349 |
9004216 | CIF | Al3 Ca0.97 Cl K1.29 Na1.53 O13.72 S0.25 Si3 | P 63 | 12.793; 12.793; 5.367 90; 90; 120 | 760.689 | Hassan, I.; Grundy, H. D. Structure of davyne and implications for stacking faults Sample 1469 The Canadian Mineralogist, 1990, 28, 341-349 |
9004217 | CIF | C6 Hg8 Mg0.96 Ni2.04 O29.4 | P 63 | 17.3984; 17.3984; 6.0078 90; 90; 120 | 1574.94 | Szymanski, J. T.; Roberts, A. C. The crystal structure of szymanskiite, a partly disordered (Hg-Hg)2+, (Ni,Mg)2+ hydronium-carbonate-hydroxide-hydrate The Canadian Mineralogist, 1990, 28, 709-718 |
9004241 | CIF | Al3 Na4 O14.35 Si3 | P 63 | 12.664; 12.664; 5.159 90; 90; 120 | 716.536 | Hassan, I.; Grundy, H. D. The crystal structure of basic cancrinite, ideally Na8[Al6Si6O24](OH)2.3H2O The Canadian Mineralogist, 1991, 29, 377-383 |
9004503 | CIF | C0.39 Al3 Ca1.57 Cl1.134 Na2.43 O13.53 S0.09 Si3 | P 63 | 12.6916; 12.6916; 5.3333 90; 90; 120 | 743.977 | Ballirano, P.; Bonaccorsi, E.; Merlino, S. Carbonate groups in davyne: Structural and crystal-chemical considerations The Canadian Mineralogist, 1998, 36, 1285-1292 |
9004616 | CIF | B Na O4 Si | P 63 | 13.8964; 13.8964; 7.7001 90; 90; 120 | 1287.75 | Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P. The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6, from the Khibina-Lovozero complex, Kola Peninsula, Russia The Canadian Mineralogist, 2001, 39, 159-169 |
9004685 | CIF | Al K O4 Si | P 63 | 18.1111; 18.1111; 8.4619 90; 90; 120 | 2403.74 | Khomyakov, A. P.; Nechelyustov, G. N.; Sokolova, E. V.; Bonaccorsi, E.; Merlino, S.; Pasero, M. Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, Kola Peninsula, Russia: mineral description and crystal structure The Canadian Mineralogist, 2002, 40, 961-970 |
9004729 | CIF | Al3.88 Fe0.04 K0.955 Na3 O16 Si4.08 | P 63 | 9.9995; 9.9995; 8.384 90; 90; 120 | 726.003 | Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P. The crystal chemistry of nepheline Note: sample 1 The Canadian Mineralogist, 2003, 41, 61-70 |
9004730 | CIF | Al3.79 Ca0.04 K0.8 Na3 O16 Si4.21 | P 63 | 9.985; 9.985; 8.372 90; 90; 120 | 722.863 | Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P. The crystal chemistry of nepheline Note: sample 2 The Canadian Mineralogist, 2003, 41, 61-70 |
9004731 | CIF | Al3.93 Ca0.06 Fe0.03 K0.88 Na2.94 O16 Si4.04 | P 63 | 9.9979; 9.9979; 8.3852 90; 90; 120 | 725.875 | Tait, K. T.; Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P. The crystal chemistry of nepheline Note: sample 3 The Canadian Mineralogist, 2003, 41, 61-70 |
9004766 | CIF | Al4 K0.675 Na3 O16 Si4 | P 63 | 9.9853; 9.9853; 8.3689 90; 90; 120 | 722.639 | Hassan, I.; Antao, S. M.; Hersi, A. A. M. Single-crystal XRD, TEM, and thermal studies of the satellite reflection in nepheline The Canadian Mineralogist, 2003, 41, 759-783 |
9004916 | CIF | Ca2.45 Ce0.22 F0.958 H0.042 La0.134 Na0.585 Nd0.02 O12.042 P3 Sr1.591 | P 63 | 9.4456; 9.4456; 6.952 90; 90; 120 | 537.155 | Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F. Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Selsurt, Lovozero, Russia The Canadian Mineralogist, 2005, 43, 735-746 |
9004917 | CIF | Ca3.295 Ce0.185 F0.749 H0.251 La0.175 Na0.195 Nd0.066 O12.251 P3 Pr0.04 Sr1.044 | P 63 | 9.4853; 9.4853; 6.9862 90; 90; 120 | 544.344 | Chakhmouradian, A. R.; Hughes, J. M.; Rakovan, J. F. Fluorcaphite, a second occurrence and detailed structural analysis: Simultaneous accommodation of Ca, Sr, Na, LREE in the apatite atomic arrangement Sample: Mt. Koashva, Khibina complex, Kola Peninsula, northwestern Russia The Canadian Mineralogist, 2005, 43, 735-746 |
9004995 | CIF | Al4 Ca0.285 K0.1 Na3.33 O16 Si4 | P 63 | 9.982; 9.982; 8.364 90; 90; 120 | 721.738 | Rossi, G.; Oberti, R.; Smith, D. C. The crystal structure of a K-poor Ca-rich silicate with the nepheline framework, and crystal-chemical relationships in the compositional space (K,Na,Ca,_)8(Al,Si)16O32 European Journal of Mineralogy, 1989, 1, 59-70 |
9005134 | CIF | Ga3 K0.9 Na2.1 O12 Si3 | P 63 | 8.8169; 8.8169; 8.3873 90; 90; 120 | 564.657 | Barbier, J.; Liu, B.; Weber, J. Crystal chemistry of the (Na,K)GaSiO4 system Note: kalsilite structure European Journal of Mineralogy, 1993, 5, 297-305 |
9005139 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2471; 12.2471; 4.9287 90; 90; 120 | 640.22 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: I, T = 20 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
9005140 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2573; 12.2573; 4.9316 90; 90; 120 | 641.665 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 20 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
9005141 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2851; 12.2851; 4.9505 90; 90; 120 | 647.049 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: III, T = 410 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
9005142 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.3184; 12.3184; 4.9674 90; 90; 120 | 652.782 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 668 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
9005143 | CIF | Al3 Fe0.03 H5 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 | P 63 | 12.24; 12.24; 4.925 90; 90; 120 | 638.998 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 4 kbar European Journal of Mineralogy, 1993, 5, 831-838 |
9005144 | CIF | Al2.88 Fe0.08 H5 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 | P 63 | 12.16; 12.16; 4.882 90; 90; 120 | 625.166 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 32 kbar European Journal of Mineralogy, 1993, 5, 831-838 |
9005611 | CIF | Al3 H18.78 Na3.73 O16.77 Si3 | P 63 | 12.7558; 12.7558; 5.1985 90; 90; 120 | 732.528 | Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C. Characterization of basic cancrinite synthesized in a butanediol-water system European Journal of Mineralogy, 2003, 15, 589-598 |
9005638 | CIF | C0.713 H3.54 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 | P 63 | 12.6216; 12.6216; 5.1293 90; 90; 120 | 707.648 | Ballirano, P.; Maras, A. The crystal structure of a "disordered" cancrinite European Journal of Mineralogy, 2004, 16, 135-141 |
9005742 | CIF | Co3 Cs H1.226 Na3 O13.226 P3 | P 63 | 12.8514; 12.8514; 5.0468 90; 90; 120 | 721.851 | Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G. Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: CoPO4-CAN European Journal of Mineralogy, 2005, 17, 813-818 |
9005743 | CIF | Cs H0.951 Na3 O12.951 P3 Zn3 | P 63 | 12.794; 12.794; 5.066 90; 90; 120 | 718.139 | Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G. Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: ZnPO4-CAN European Journal of Mineralogy, 2005, 17, 813-818 |
9006343 | CIF | Al3 Ca Cl1.12 K0.99 Na2.01 O13.76 S0.44 Si3 | P 63 | 12.784; 12.784; 5.346 90; 90; 120 | 756.647 | Bonaccorsi, E.; Comodi, P.; Merlino, S. Thermal behaviour of davyne-group minerals Sample: T = 293 K Physics and Chemistry of Minerals, 1995, 22, 367-374 |
9006822 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.8563; 7.8563; 9.5642 90; 90; 120 | 511.229 | Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S. Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 0 GPa Physics and Chemistry of Minerals, 2000, 27, 225-233 |
9006823 | CIF | H6 Mg7 O14 Si2 | P 63 | 7.7972; 7.7972; 9.5071 90; 90; 120 | 500.56 | Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S. Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 3.2 GPa Physics and Chemistry of Minerals, 2000, 27, 225-233 |
9007014 | CIF | Al9 Ca3 Cl3 K3.36 Na5.64 O42 S1.5 Si9 | P 63 | 22.161; 22.161; 5.358 90; 90; 120 | 2278.83 | Bonaccorsi, E.; Merlino, S.; Pasero, M.; Macedonio, G. Microsommite: crystal chemistry, phase transitions, Ising model and Monte Carlo simulations Physics and Chemistry of Minerals, 2001, 28, 509-522 |
9007178 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.022; 11.022; 10.374 90; 90; 120 | 1091.44 | Jacobsen, S. D.; Smyth, J. R.; Swope, R. J. Thermal expansion of hydrated six-coordinated silicon in thaumasite, Ca3Si(OH)6(CO3)(SO4).12H2O Sample: T = 130 K Physics and Chemistry of Minerals, 2003, 30, 321-329 |
9007179 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0538; 11.0538; 10.4111 90; 90; 120 | 1101.67 | Jacobsen, S. D.; Smyth, J. R.; Swope, R. J. Thermal expansion of hydrated six-coordinated silicon in thaumasite, Ca3Si(OH)6(CO3)(SO4).12H2O Sample: T = 298 K Physics and Chemistry of Minerals, 2003, 30, 321-329 |
9007419 | CIF | Fe0.117 Mg6.217 O14 Si2 | P 63 | 7.8678; 7.8678; 9.5771 90; 90; 120 | 513.418 | Holl, C. M.; Smyth, J. R.; Manghnani, M. H.; Amulele, G. M.; Sekar, M.; Frost, D. J.; Prakapenka, V. B.; Shen, G. Crystal structure and compression of an iron-bearing Phase A to 33 GPa Physics and Chemistry of Minerals, 2006, 33, 192-199 |
9008243 | CIF | Pb4.51 S20.25 Sb10.5 | P 63 | 22.148; 22.148; 4.333 90; 90; 120 | 1840.72 | Portheine, J. C.; Nowacki, W. Refinement of the crystal structure of zinckenite, Pb6Sb14S27 Sample: Bolivar mine, Cerro Bonete, Bolivia Zeitschrift fur Kristallographie, 1975, 141, 79-96 |
9009260 | CIF | B Be2 H3 O5 | P 63 | 4.433; 4.433; 10.638 90; 90; 120 | 181.045 | Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G. Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 2H polytype Note: anisoU's from ICSD Neues Jahrbuch fur Mineralogie, Abhandlungen, 1990, 162, 101-116 |
9009322 | CIF | Al16 K11.47 Na4.53 O64 Si16 | P 63 | 20.496; 20.496; 8.549 90; 90; 120 | 3110.17 | Merlino, S.; Franco, E.; Mattia, C. A.; Pasero, M.; De Gennaro, M. The crystal structure of panunzite (natural tetrakalsilite) Note: x(O7) and y(O11) adjusted to match reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1985, 1985, 322-328 |
9009355 | CIF | Al3 K2 Na O12 Si3 | P 63 | 15.339; 15.339; 8.501 90; 90; 120 | 1732.19 | Bonaccorsi, E.; Merlino, S.; Pasero, M. Trikalsilite: its structural relationships with nepheline and tetraskalsilite Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 559-567 |
9009434 | CIF | Al K O4 Si | P 63 | 5.161; 5.161; 8.693 90; 90; 120 | 200.525 | Perrotta, A. J.; Smith, J. V. The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 on triad axis Mineralogical Magazine, 1965, 35, 588-595 |
9009435 | CIF | Al K O4 Si | P 63 | 5.161; 5.161; 8.693 90; 90; 120 | 200.525 | Perrotta, A. J.; Smith, J. V. The crystal structure of kalsilite, KAlSiO4 Sample: Refinement with O2 off triad axis Mineralogical Magazine, 1965, 35, 588-595 |
9009725 | CIF | Al K O6 Si | P 63 | 5.151; 5.151; 8.69 90; 90; 120 | 199.68 | Andou, Y.; Kawahara, A. The refinement of the structure of synthetic kalsilite Locality: synthetic Mineralogical Journal, 1984, 12, 153-161 |
9009864 | CIF | As3 Cl O9 Pb5 | P 63 | 10.28; 10.28; 7 90; 90; 120 | 640.641 | Gabrielson, O. The crystal structure of finnemanite Pb5Cl(AsO3)3 Arkiv for Mineralogi och Geologi, 1956, 2, 1-8 |
9009866 | CIF | Mg0.3 Mn2.81 O7 Si W0.4 | P 63 | 8.155; 8.155; 4.785 90; 90; 120 | 275.588 | Moore, P. B. The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7 Arkiv for Mineralogi och Geologi, 1969, 4, 459-466 |
9010199 | CIF | Al3 K1.29 Na1.88 O14.62 S0.29 Si3 | P 63 | 12.7228; 12.7228; 5.198 90; 90; 120 | 728.672 | Della Ventura, G.; Bellatreccia, F.; Parodi, G. C.; Camara, F.; Piccinini, M. Single-crystal FTIR and X-ray study of vishnevite, ideally [Na6(SO4)][Na2(H2O)2](Si6Al6O24) Sample: Pi4 American Mineralogist, 2007, 92, 713-721 |
9010300 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.9995; 9.9995; 8.3766 90; 90; 120 | 725.362 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in air American Mineralogist, 2007, 92, 1446-1455 |
9010301 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.991; 9.991; 8.3702 90; 90; 120 | 723.576 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in DAC American Mineralogist, 2007, 92, 1446-1455 |
9010302 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.8499; 9.8499; 8.2838 90; 90; 120 | 696.023 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 1.967 GPa American Mineralogist, 2007, 92, 1446-1455 |
9010303 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.7178; 9.7178; 8.203 90; 90; 120 | 670.871 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 4.130 GPa American Mineralogist, 2007, 92, 1446-1455 |
9010304 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.6189; 9.6189; 8.1423 90; 90; 120 | 652.422 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 6.108 GPa American Mineralogist, 2007, 92, 1446-1455 |
9010305 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.5587; 9.5587; 8.1051 90; 90; 120 | 641.338 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = 7.462 GPa American Mineralogist, 2007, 92, 1446-1455 |
9010306 | CIF | Al4 Ca0.03 K0.54 Na3.24 O16 Si4 | P 63 | 9.9907; 9.9907; 8.3695 90; 90; 120 | 723.472 | Gatta, G. D.; Angel, R. J. Elastic behavior and pressure-induced structural evolution of nepheline: Implications for the nature of the modulated superstructure Sample: P = .0001 GPa, in air after decompression American Mineralogist, 2007, 92, 1446-1455 |
9010878 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0575; 11.0575; 10.4163 90; 90; 120 | 1102.96 | Martucci, A.; Cruciani, G. In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 303 K Physics and Chemistry of Minerals, 2006, 33, 723-731 |
9010879 | CIF | C H18 Ca3 O24.67 S Si | P 63 | 11.0825; 11.0825; 10.4447 90; 90; 120 | 1110.97 | Martucci, A.; Cruciani, G. In situ time resolved synchrotron powder diffraction study of thaumasite Sample: T = 413 K Physics and Chemistry of Minerals, 2006, 33, 723-731 |
9011100 | CIF | C H30 Ca3 Mn O25 S | P 63 | 11.06; 11.06; 10.5 90; 90; 120 | 1112.32 | Granger, M. M.; Protas, J. Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O) Acta Crystallographica, Section B, 1969, 25, 1943-1951 |
9011774 | CIF | Al Ge K O4 | P 63 | 18.429; 18.429; 8.599 90; 90; 120 | 2529.19 | Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G. Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) match reported bond lengths Note: z coordinate of O23 changed from .2859 to .2598 to match reported bond lengths Note: y coordinate of O31 changed from .5328 to .5388 to match reported bond lengths Kristallografiya, 1986, 31, 522-527 |
9012083 | CIF | Pb1.6 S7 Sb3.4 | P 63 | 22.12; 22.12; 4.32 90; 90; 120 | 1830.56 | Lebas, G.; le Bihan, M. T. Etude chimique et structurale d'un sulfure naturel: la zinckenite Bulletin de Mineralogie, 1976, 99, 351-360 |
9012816 | CIF | As3 H17 Mn16 O57 Si12 | P 63 | 13.42; 13.42; 14.32 90; 90; 120 | 2233.46 | Kato, T.; Watanabe, I. The crystal structures of schallerite and friedelite Yamaguchi University, College of Arts Bulletin, 1992, 26, 51-63 |
9013311 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.982; 9.982; 8.367 90; 90; 120 | 721.997 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 110 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013312 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.989; 9.989; 8.3687 90; 90; 120 | 723.157 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 200 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013313 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9995; 9.9995; 8.3766 90; 90; 120 | 725.362 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: natural sample Note: T = 290 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013314 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9751; 9.9751; 8.3658 90; 90; 120 | 720.896 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 220 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013315 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9698; 9.9698; 8.3615 90; 90; 120 | 719.76 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 150 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013316 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9685; 9.9685; 8.3608 90; 90; 120 | 719.512 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 100 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013317 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9801; 9.9801; 8.3707 90; 90; 120 | 722.042 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 15 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013318 | CIF | Al3.84 K0.57 Na3.24 O16 Si4.16 | P 63 | 9.9867; 9.9861; 8.3697 90; 90; 120 | 722.867 | Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A. The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 298 K The Canadian Mineralogist, 2008, 46, 1465-1476 |
9013471 | CIF | C3 H12 Na3 O15 Y | P 63 | 11.347; 11.347; 5.935 90; 90; 120 | 661.78 | Ben Ali, A.; Awaleh, M. O.; Leblanc, M.; Smiri, L. S.; Maisonneuve, V.; Houlbert, S. Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic Comptes Rendus Chimie, 2004, 7, 661-668 |
9013817 | CIF | Al4 Ca0.12 K0.716 Na2.88 O16 Si4 | P 63 | 9.99567; 9.99567; 8.37777 90; 90; 120 | 724.908 | Antao, S. M.; Hassan, I. Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 1b The Canadian Mineralogist, 2010, 48, 69-80 |
9013818 | CIF | Al4 K0.92 Na3 O16 Si4 | P 63 | 10.00215; 10.00215; 8.38742 90; 90; 120 | 726.684 | Antao, S. M.; Hassan, I. Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 2 The Canadian Mineralogist, 2010, 48, 69-80 |
9013819 | CIF | Al4 K0.778 Na3 O18 Si2 | P 63 | 9.99567; 9.99567; 8.37873 90; 90; 120 | 724.991 | Antao, S. M.; Hassan, I. Nepheline: structure of three samples from the Bancroft area, Ontario, obtained using synchrotron high-resolution powder x-ray diffraction Sample: 3 The Canadian Mineralogist, 2010, 48, 69-80 |
9013893 | CIF | Al3.88 Ge4.12 K0.76 Na3.12 O16 | P 63 | 10.164; 10.164; 8.54 90; 90; 120 | 764.043 | Hammond, R. P.; Barbier, J. Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Note: hexagonal nepheline Acta Crystallographica, Section B, 1998, 54, 211-220 |
9013981 | CIF | Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1 | P 63 | 9.485; 9.485; 7 90; 90; 120 | 545.385 | Rastsvetaeva, R. K.; Khomyakov, A. P. Structural features of a new naturally occurring representative of the fluorapatite-deloneite series Crystallography Reports, 1996, 41, 789-792 |
9013987 | CIF | C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer Crystallography Reports, 2009, 54, 793-799 |
9013988 | CIF | C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer Crystallography Reports, 2009, 54, 793-799 |
9013989 | CIF | Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 | P 63 | 12.773; 12.773; 5.334 90; 90; 120 | 753.65 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Crystallography Reports, 2009, 54, 793-799 |
9013991 | CIF | Ca2 F O12 P3 Sr3 | P 63 | 9.63; 9.63; 7.22 90; 90; 120 | 579.856 | Klevtsova, R. F. The crystal structure of strontium-apatite Journal of Structural Chemistry, 1964, 5, 318-320 |
9014011 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.24; 12.24; 4.843 90; 90; 120 | 628.359 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.63 GPa American Mineralogist, 2012, 97, 872-882 |
9014015 | CIF | C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 | P 63 | 12.627; 12.627; 5.136 90; 90; 120 | 709.179 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014390 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.036; 11.036; 10.3845 90; 90; 120 | 1095.32 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K American Mineralogist, 2012, 97, 1060-1069 |
9014440 | CIF | C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 | P 63 | 12.606; 12.606; 5.118 90; 90; 120 | 704.345 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014441 | CIF | Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953 | P 63 | 5.5472; 5.5472; 14.296 90; 90; 120 | 380.972 | Wahle, M. W.; Bujnowski, T. J.; Guggenheim, S.; Kogure, T. Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group mineral from South Africa Clays and Clay Minerals, 2010, 58, 364-376 |
9014495 | CIF | Ca3 O25 S2 Si | P 63 | 11.106; 11.106; 10.492 90; 90; 120 | 1120.74 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
9014534 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.58; 12.58; 5.058 90; 90; 120 | 693.219 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.76 GPa American Mineralogist, 2012, 97, 872-882 |
9014642 | CIF | C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 | P 63 | 12.618; 12.618; 5.144 90; 90; 120 | 709.272 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz5/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014648 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.53; 12.53; 5.072 90; 90; 120 | 689.623 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.99 GPa American Mineralogist, 2012, 97, 872-882 |
9014722 | CIF | C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 | P 63 | 12.618; 12.618; 5.116 90; 90; 120 | 705.411 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014800 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.386; 12.386; 4.954 90; 90; 120 | 658.186 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 3.59 GPa American Mineralogist, 2012, 97, 872-882 |
9014819 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.62; 12.62; 5.083 90; 90; 120 | 701.083 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC) American Mineralogist, 2012, 97, 872-882 |
9014899 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.266; 12.266; 4.864 90; 90; 120 | 633.768 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.16 GPa American Mineralogist, 2012, 97, 872-882 |
9014904 | CIF | C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 | P 63 | 12.617; 12.617; 5.129 90; 90; 120 | 707.091 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015198 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.514; 12.514; 5.034 90; 90; 120 | 682.71 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 1.39 GPa American Mineralogist, 2012, 97, 872-882 |
9015276 | CIF | C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3 | P 63 | 12.75; 12.75; 5.14 90; 90; 120 | 723.626 | Jarchow, O. Atomanordnung und Strukturverfeinerung von Cancrinit Zeitschrift fur Kristallographie, 1965, 122, 407-422 |
9015284 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.447; 12.447; 5.006 90; 90; 120 | 671.662 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 2.33 GPa American Mineralogist, 2012, 97, 872-882 |
9015316 | CIF | C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 | P 63 | 12.625; 12.625; 5.122 90; 90; 120 | 707.022 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015468 | CIF | C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 | P 63 | 12.695; 12.695; 5.325 90; 90; 120 | 743.217 | Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y. Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy European Journal of Mineralogy, 2010, 22, 113-119 |
9015537 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.322; 12.322; 4.905 90; 90; 120 | 644.959 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.00 GPa American Mineralogist, 2012, 97, 872-882 |
9015553 | CIF | C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 | P 63 | 12.683; 12.683; 5.19 90; 90; 120 | 723.006 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015706 | CIF | C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 | P 63 | 11.1178; 11.1178; 10.5381 90; 90; 120 | 1128.06 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder Mineralogical Magazine, 2012, 76, 1133-1152 |
9016053 | CIF | C0.5 Ca3 O25 S1.27 Si | P 63 | 11.07; 11.07; 10.4397 90; 90; 120 | 1107.93 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
9016142 | CIF | Na2 O11 P Te | P 63 | 5.908; 5.908; 15.09 90; 90; 120 | 456.143 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
9016287 | CIF | Ca3 Mg4 O24 S6 | P 63 | 16.581; 16.581; 7.348 90; 90; 120 | 1749.53 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of beta-CaMg2(SO4)3, a mineral phase from coal dumps of the Chelyabinsk coal basin, Russia The Canadian Mineralogist, 2010, 48, 1469-1475 |
9016353 | CIF | C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 | P 63 | 12.607; 12.607; 5.111 90; 90; 120 | 703.493 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9016482 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0545; 11.0545; 10.4131 90; 90; 120 | 1102.02 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 301 K American Mineralogist, 2012, 97, 1060-1069 |
9016551 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.278; 12.278; 4.876 90; 90; 120 | 636.575 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.73 GPa American Mineralogist, 2012, 97, 872-882 |
9016575 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.5976; 12.5976; 5.1168 90; 90; 120 | 703.242 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR) American Mineralogist, 2012, 97, 872-882 |
9016613 | CIF | C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 | P 63 | 12.613; 12.613; 5.124 90; 90; 120 | 705.954 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf62633/2 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9016700 | CIF | Al3 H3.18 Na3.922 O14.69 P0.3 Si3 | P 63 | 12.7345; 12.7345; 5.1798 90; 90; 120 | 727.457 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Van, K. V.; Pushcharovsky, D. Y. Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 63-74 |
9016729 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.347; 12.347; 4.935 90; 90; 120 | 651.539 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 4.30 GPa American Mineralogist, 2012, 97, 872-882 |
9016738 | CIF | H6 Na3.61 O12 S3 Sb7 | P 63 | 14.152; 14.152; 5.5758 90; 90; 120 | 967.105 | Sabelli, C.; Nakai, I.; Katsura, S. Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue American Mineralogist, 1988, 73, 398-404 |
9016763 | CIF | H5.64 K2.4 Na0.58 O11.82 S3 Sb7 | P 63 | 14.2513; 14.2513; 5.59 90; 90; 120 | 983.222 | Sabelli, C.; Nakai, I.; Katsura, S. Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) American Mineralogist, 1988, 73, 398-404 |
9017539 | CIF | Al K O4 Si | P 63 | 5.151; 5.151; 8.69 90; 90; 120 | 199.68 | Andou, Y.; Kawahara, A. The refinement of the structure of synthetic kalsilite Mineralogical Journal, 1984, 12, 153-161 |
9017876 | CIF | Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 | P 63 | 9.3667; 9.3667; 7.6173 90; 90; 120 | 578.769 | Missen, O. P.; Back, M. E.; Mills, S. J.; Roberts, A. C.; LePage, Y.; Pinch, W. W.; Mandarino, J. A. Crystal chemistry of zemannite-type structures: III. Keystoneite, the Ni2±analogue of zemannite, and ferrotellurite discredited The Canadian Mineralogist, 2021, 59, 355-364 |
9017910 | CIF | C H27 Al0.89 B0.94 Ca3 O25 S0.06 Si0.11 | P 63 | 11.0459; 11.0459; 10.61502 90; 90; 120 | 1121.64 | Nishio-Hamane D; Ohnishi, M.; Momma, K.; Shimobayashi, N.; Miyawaki, R.; Minakawa, T.; Inaba, S. Imayoshiite, Ca3Al(CO3)[B(OH)4](OH)6*12H2O, a new mineral of the ettringite group from Ise City, Mie Prefecture, Japan Mineralogical Magazine, 2015, 79, 413-423 |
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