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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7706015	CIF	C34 H88 Mn2 O4 Si8	P -1	9.82; 9.922; 14.623 97.082; 98.99; 100.713	1365.6	Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17537-17541
7706016	CIF	C32 H70 Mn N4 Si4	P 1 21/n 1	10.0789; 23.499; 18.131 90; 90.882; 90	4293.7	Arata, Shogo; Suzuki, Kosuke; Yamaguchi, Kazuya; Sunada, Yusuke Supersilyl as an effective monodentate ligand to stabilize four-coordinate manganese(II) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17537-17541
7706030	CIF	Ph as e kn n ow un	A m m 2	3.978; 17.401; 17.742 90; 90; 90	1228.12	Caggiu, Laura; Iacomini, Antonio; Pistidda, Claudio; Farina, Valeria; Senes, Nina; Cao, Hujun; Gavini, Elisabetta; Mulas, Gabriele; Garroni, Sebastiano; Enzo, Stefano <i>In situ</i> synchrotron radiation investigation of V<sub>2</sub>O<sub>5</sub>-Nb<sub>2</sub>O<sub>5</sub> metastable compounds: transformational kinetics at high temperatures with a new structural solution for the orthorhombic V<sub>4</sub>Nb<sub>20</sub>O<sub>60</sub> phase. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17584-17593
7706059	CIF	C14 H22 Cl2 In N7 O S2	P 1 21/c 1	10.82; 13.44; 15.215 90; 100.058; 90	2179	Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17207-17220
7706060	CIF	C16 H26 Cl2 In N7 O S2	C 1 2/c 1	9.7761; 14.2179; 16.717 90; 98.698; 90	2296.9	Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17207-17220
7706061	CIF	C11 H14 Cl2 In N7 S2	P 1 21/n 1	8.4977; 13.297; 15.646 90; 103.015; 90	1722.5	Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17207-17220
7706062	CIF	C46 H42 Cl2 In2 N14 S4	P -1	8.5777; 11.3038; 13.9701 94.032; 102.892; 106.279	1254.63	Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17207-17220
7706063	CIF	P Pb S3	P 1 21/n 1	6.603; 7.456; 9.401 90; 91.618; 90	462.6	Wang, Peng; Abudoureheman, Maierhaba; Chen, Zhaohui Experimental and theoretical studies of the ternary thiophosphate PbPS<sub>3</sub> featuring ethane-like [P<sub>2</sub>S<sub>6</sub>]<sup>4-</sup> units. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17221-17229
7706076	CIF	C22 H30 B2 F8 Fe N26 O12	R -3 :H	10.6588; 10.6588; 34.838 90; 90; 120	3427.7	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706077	CIF	C22 H30 B2 F8 Fe N26 O12	R -3 :H	10.4735; 10.4735; 34.48 90; 90; 120	3275.5	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706078	CIF	C34 H58 B2 F8 Fe N24 O13	P -1	10.53; 10.576; 13.836 75.4; 73.122; 64.974	1321.1	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706079	CIF	C34 H58 B2 F8 Fe N24 O13	P -1	10.63; 10.971; 14.235 74.796; 71.624; 63.563	1396.1	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706080	CIF	C22 H30 Cl2 Fe N26 O20	R -3 :H	10.747; 10.747; 34.689 90; 90; 120	3469.7	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706081	CIF	C34 H58 Cl2 Fe N24 O21	P -1	10.6262; 11.0192; 27.044 96.08; 93.16; 116.571	2797.5	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706082	CIF	C22 H30 Cl2 Fe N26 O20	R -3 :H	10.587; 10.587; 34.314 90; 90; 120	3330.8	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706083	CIF	C34 H58 Cl2 Fe N24 O21	P -1	10.612; 10.6186; 26.596 95.237; 95.276; 114.758	2681.9	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706084	CIF	C8 H16 Cl Gd N8 O7	C 1 2/c 1	18.0057; 11.2323; 8.0169 90; 91.838; 90	1620.5	Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17183-17193
7706085	CIF	C96 H74 Cl3 F54 Gd3 N10 O27	P -1	14.517; 19.785; 24.597 75.63; 72.85; 74.42	6392	Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17414-17420
7706086	CIF	C96 H74 Cl3 F54 N10 O27 Tb3	P -1	14.46; 19.762; 24.51 95.56; 106.86; 105.57	6340	Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17414-17420
7706087	CIF	C96 H74 Cl3 Dy3 F54 N10 O27	P -1	14.509; 19.777; 24.544 95.37; 107.02; 105.55	6374	Sun, Juan; Wu, Qi; Lu, Jiao; Jing, Pei; Du, Yeshuang; Li, Licun Slow relaxation of magnetization in lanthanide-biradical complexes based on a functionalized nitronyl nitroxide biradical. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17414-17420
7706088	CIF	C76 H62 Cl6 N2 Sb2 Se	C 1 c 1	13.6; 23.7029; 22.3885 90; 93.718; 90	7202	Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17331-17340
7706089	CIF	C76.33 H65.67 Br6 Cl0.67 N2 Sb2 Se	C 1 c 1	13.78581; 23.6833; 22.4844 90; 91.6768; 90	7337.9	Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17331-17340
7706090	CIF	C52 H48 Br3 N2 Sb Se	P 1 21/c 1	10.17157; 23.6916; 20.4392 90; 94.425; 90	4910.8	Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17331-17340
7706091	CIF	C52 H48 Cl3 N2 Sb Se	P 1 21/c 1	14.0909; 20.4357; 17.3498 90; 104.844; 90	4829.27	Nandeshwar, Muneshwar; Adinarayana, Mannem; Srinivas, Katam; Velappan, Kavitha; Prabusankar, Ganesan Rare antimony(III) imidazole selone complexes: steric controlled structural and bonding aspects. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17331-17340
7706092	CIF	C68 H56 Br2 Cu2 N6 P2 S2	P -1	10.6202; 11.296; 13.7122 72.604; 70.354; 75.461	1457.49	Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17350-17367
7706093	CIF	C70 H60 Ag2 Cl2 N6 P2 S2	P -1	10.4921; 12.002; 13.82 82.287; 79.882; 75.133	1648.6	Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17350-17367
7706094	CIF	C68 H56 Ag2 Br2 N6 P2 S2	P -1	10.7478; 11.3867; 13.6861 72.548; 72.022; 75.693	1497.61	Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17350-17367
7706095	CIF	C53 H45 Cu N3 P2 S2	P -1	9.3567; 13.0349; 19.9282 87.801; 83.782; 84.846	2405.44	Khan, Ashiq; Paul, Kamaldeep; Singh, Iqubal; Jasinski, Jerry P.; Smolenski, Victoria A.; Hotchkiss, Ethan P.; Kelley, Patrick T.; Shalit, Zachary A.; Kaur, Manpreet; Banerjee, Somesh; Roy, Partha; Sharma, Rekha Copper(I) and silver(I) complexes of anthraldehyde thiosemicarbazone: synthesis, structure elucidation, <i>in vitro</i> anti-tuberculosis/cytotoxic activity and interactions with DNA/HSA. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17350-17367
7706102	CIF	C49 H76 N12 O2 Zn4	P 1 21/n 1	8.1493; 17.0654; 19.193 90; 98.62; 90	2639.04	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706103	CIF	C64 H120 N8 O3 Zn4	P -1	11.89; 15.35; 22.38 72.5; 88.38; 69.64	3639	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706104	CIF	C32 H54 N8 O2 Zn3	P 1 21/c 1	7.7664; 29.8024; 16.0219 90; 102.299; 90	3623.3	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706105	CIF	C26 H46.24 N4 Zn2	P 1 21/c 1	10.982; 18.677; 14.857 90; 109.536; 90	2871.9	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706106	CIF	C40 H70 N8 Zn3	P 1 21/n 1	14.0604; 18.0359; 17.1111 90; 92.433; 90	4335.3	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706107	CIF	C26 H36 N4 O2 Zn2	C 1 2/c 1	12.2907; 16.3872; 13.4133 90; 109.417; 90	2547.9	Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17388-17394
7706108	CIF	C5 H10 I N2 P	P m m n :2	8.4133; 7.1479; 7.505 90; 90; 90	451.33	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706109	CIF	C9 H18 I N2 P	P 1 21/m 1	9.245; 7.4965; 10.4442 90; 115.069; 90	655.65	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706110	CIF	C32 H46 I N4 P	P b c n	21.5771; 14.8112; 21.4093 90; 90; 90	6842	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706111	CIF	C22 H27.5 I N2.5 P	P 1 21/c 1	17.815; 19.1134; 14.7481 90; 114.254; 90	4578.5	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706112	CIF	C29 H41 N2 P	P n a 21	40.4446; 10.7492; 12.5916 90; 90; 90	5474.2	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706113	CIF	C28 H39 N2 P	P 1 21/n 1	10.3552; 7.0047; 37.0995 90; 97.948; 90	2665.2	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706114	CIF	C29 H42 B F4 N2 P	P 1 21/n 1	9.4999; 19.6312; 16.2528 90; 100.794; 90	2977.43	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706115	CIF	C30 H44 B F4 N2 P	P 1 21/n 1	9.6514; 19.5693; 16.5413 90; 101.591; 90	3060.5	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706116	CIF	C28 H40 B Cl2 F4 N2 P	C m c e	16.2797; 19.2139; 20.2982 90; 90; 90	6349.2	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706117	CIF	C22 H28 B F4 N2 P	P 1 21/n 1	10.6034; 27.3731; 16.1467 90; 91.181; 90	4685.6	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706118	CIF	C29 H42 B F4 N2 P	P n m a	18.554; 19.0734; 8.1713 90; 90; 90	2891.72	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706119	CIF	C28 H40.5 I N2.5 O0.5 P	F d d 2	30.49; 32.625; 12.8127 90; 90; 90	12745.3	Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17401-17413
7706124	CIF	C6 H25 Mo5 N4 O23.5 P2	P -1	9.9361; 10.0331; 14.4174 84.088; 77.796; 65.153	1274.59	Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17301-17309
7706125	CIF	C8 H40 Mo5 N6 O27 P2	P -1	10.3242; 10.9734; 15.718 95.654; 95.813; 111.47	1630.9	Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia Proton transfer in polyamine-P<sub>2</sub>Mo<sub>5</sub> model adducts: exploring the effect of polyamine cations on their proton conductivity. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17301-17309
7706126	CIF	C46 H54 N6 O12 U2	P -1	8.95682; 14.2454; 18.8663 82.031; 84.2723; 89.8078	2371.93	Azam, Mohammad; Kumar, Umesh; Olowoyo, Joshua O.; Al-Resayes, Saud I; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Islam, Mohammad Shahidul; Khan, Mohammad Rizwan; Adil, S. F.; Siddiqui, Mohammad Rafique; Al-Harthi, Fahad Ahmed; Alinzi, Abdul Karim; Wabaidur, Saikh Mohammad; Siddiqui, Masoom Raza; Shaik, Mohammed Rafi; Jain, Suman L.; Farkhondehfal, M. Amin; Hernàndez, Simelys Dinuclear uranium(VI) salen coordination compound: an efficient visible-light-active catalyst for selective reduction of CO<sub>2</sub> to methanol. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17243-17251
7706129	CIF	C76 H64 Cl12 N12 O0 Ru2	P 1 21 1	10.6462; 9.5942; 17.992 90; 98.317; 90	1818.4	Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17375-17387
7706130	CIF	C33.6 H27.8 F6 N5 O7.8 Ru S2	C 1 2/c 1	23.8599; 13.0679; 26.5063 90; 93.5948; 90	8248.4	Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanović-Burmazović, Ivana; Gimbert-Suriñach, Carolina A broad view on the complexity involved in water oxidation catalysis based on Ru-bpn complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17375-17387
7706131	CIF	C82 H136 Fe9 N48 O34 Re5 W	C 1 2/c 1	28.6009; 19.1656; 32.2296 90; 113.648; 90	16183.2	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706132	CIF	C82 H136 Fe9 N48 O34 Re4 W2	C 1 2/c 1	28.7382; 18.9574; 32.1517 90; 114.259; 90	15969.6	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706133	CIF	C82 H136 Fe9 N48 O34 Re5 W	C 1 2/c 1	28.662; 19.4695; 32.62 90; 113.855; 90	16648	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706134	CIF	C82 H136 Fe9 N48 O34 Re5 W	C 1 2/c 1	28.6739; 19.4246; 32.637 90; 113.623; 90	16654.8	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706135	CIF	C84 H144 Fe9 N48 O36 Re2 W4	C 1 2/c 1	28.842; 19.362; 32.652 90; 113.953; 90	16664	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706136	CIF	C82 H136 Fe9 N48 O34 Re3 W3	C 1 2/c 1	28.846; 19.201; 32.426 90; 114.211; 90	16380	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706137	CIF	C82 H136 Fe9 N48 O34 Re4 W2	C 1 2/c 1	28.783; 19.2494; 32.457 90; 114.169; 90	16407	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706138	CIF	C82 H136 Fe9 N48 O34 Re3 W3	C 1 2/c 1	28.68; 18.9812; 32.211 90; 114.156; 90	15999.6	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706139	CIF	C84 H144 Fe9 N48 O36 Re2 W4	C 1 2/c 1	28.691; 19.556; 32.72 90; 113.535; 90	16831	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706140	CIF	C87 H156 Fe9 N48 O39 Re W5	C 1 2/c 1	28.5946; 19.2126; 32.3269 90; 113.499; 90	16286.8	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706141	CIF	C87 H156 Fe9 N48 O39 Re W5	C 1 2/c 1	28.7447; 19.4568; 32.6354 90; 113.453; 90	16744.4	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706142	CIF	C87 H156 Fe9 N48 O39 Re W5	C 1 2/c 1	28.82; 19.5768; 32.775 90; 113.647; 90	16939	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706143	CIF	C82 H136 Fe9 N48 O34 Re3 W3	C 1 2/c 1	28.828; 19.3983; 32.625 90; 114.134; 90	16650	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706144	CIF	C84 H144 Fe9 N48 O36 Re2 W4	C 1 2/c 1	28.6105; 19.1986; 32.2988 90; 113.529; 90	16266.1	Kobylarczyk, Jedrzej; Liberka, Michal; Stanek, Jan J.; Sieklucka, Barbara; Podgajny, Robert Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17321-17330
7706145	CIF	C39 H32 Fe2 P6	P -1	7.5494; 9.9887; 12.8842 94.265; 91.214; 112.2	895.79	Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A. Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene). Dalton transactions (Cambridge, England : 2003), 2020, 49, 17252-17262
7706146	CIF	C19 H15 Fe P3	P 1 21/c 1	11.6056; 7.0005; 21.4608 90; 95.376; 90	1735.9	Petrov, Andrey V.; Zagidullin, Almaz A.; Bezkishko, Ilya A.; Khrizanforov, Mikhail N.; Kholin, Kirill V.; Gerasimova, Tatiana P.; Ivshin, Kamil A.; Shekurov, Ruslan P.; Katsyuba, Sergey A.; Kataeva, Olga N.; Budnikova, Yulia H.; Miluykov, Vasili A. Synthesis, structure, and electrochemical properties of 4,5-diaryl-1,2,3-triphosphaferrocenes and the first example of multi(phosphaferrocene). Dalton transactions (Cambridge, England : 2003), 2020, 49, 17252-17262
7706147	CIF	C4 H8 Cl4 N6 Pb	P 21 21 21	8.313; 21.426; 21.959 90; 90; 90	3911	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706148	CIF	C4 H8 Cl4 N6 Pb	C m c m	8.3092; 7.5086; 21.5925 90; 90; 90	1347.17	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706149	CIF	C4 H8 Br4 N6 Pb	P 1 21/c 1	9.6451; 8.4001; 8.3932 90; 97.016; 90	674.92	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706150	CIF	C4 H8 Cl4 N6 Pb	C m c m	8.306; 7.4959; 21.5814 90; 90; 90	1343.68	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706151	CIF	C4 H8 Cl4 N6 Pb	P 21 21 21	8.321; 21.465; 22.084 90; 90; 90	3944	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706152	CIF	C8 H20 I10 N12 O2 Pb3	C m c e	9.6028; 20.805; 19.776 90; 90; 90	3951	Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17274-17280
7706153	CIF	H4 Ni2 O9 P2	P 1 21/n 1	6.2517; 13.7892; 7.2894 90; 94.507; 90	626.45	Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Ovchenkov, Yevgeniy A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Simonov, Sergey V.; Vasiliev, Alexander N. Crystal structure and thermodynamic properties of dinickel diphosphate dihydrate Ni<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>[P<sub>2</sub>O<sub>7</sub>]. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17368-17374
7706166	CIF	F4 K4 O11 P2 S2	C 1 2/c 1	13; 7.543; 19.01 90; 130.07; 90	1426.5	Zhang, Wenyao; Jin, Wenqi; Yang, Zhihua; Pan, Shilie K<sub>4</sub>(PO<sub>2</sub>F<sub>2</sub>)<sub>2</sub>(S<sub>2</sub>O<sub>7</sub>): first fluorooxophosphorsulfate with mixed-anion [S<sub>2</sub>O<sub>7</sub>]<sup>2-</sup> and [PO<sub>2</sub>F<sub>2</sub>]<sup>-</sup> groups. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17658-17664
7706181	CIF	C33.94 H32 N4 O4 U	P b a n :2	14.6015; 14.6038; 13.9168 90; 90; 90	2967.6	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706182	CIF	C34 H32 Ce N4 O4	P -1	8.5959; 13.3829; 13.4915 103.25; 100.909; 97.822	1457	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706183	CIF	C34 H32 N4 O4 Pu	P b a n :2	14.591; 14.5959; 13.8205 90; 90; 90	2943.3	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706184	CIF	C34 H32 N4 O4 Th	P b a n :2	14.7012; 14.7004; 13.9369 90; 90; 90	3012	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706185	CIF	C34 H32 Ce N4 O4	P 1 21/n 1	14.6108; 13.4604; 14.9187 90; 91.48; 90	2933	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706186	CIF	C34 H32 N4 Np O4	P b a n :2	14.5915; 14.5923; 13.8426 90; 90; 90	2947.4	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17559-17570
7706190	CIF	C24 H22 Cl4 Fe2 N6 O2	P -1	7.4259; 8.5641; 10.8957 82.941; 84.961; 77.506	670.04	Verhoeven, Dide G. A.; Albrecht, Martin Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17674-17682
7706191	CIF	C23 H29 Cl2 Fe N5 O4 S2	P 1 21/m 1	7.80925; 18.68619; 9.50696 90; 93.6941; 90	1384.42	Verhoeven, Dide G. A.; Albrecht, Martin Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17674-17682
7706192	CIF	C23 H29 Cl2 Fe N5 O4 S2	I 1 2/a 1	20.8273; 13.9967; 19.108 90; 95.427; 90	5545.27	Verhoeven, Dide G. A.; Albrecht, Martin Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17674-17682
7706193	CIF	C27 H26 Cl Fe I N6 O	P 1 21/c 1	19.64797; 15.77189; 9.27194 90; 97.2461; 90	2850.29	Verhoeven, Dide G. A.; Albrecht, Martin Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17674-17682
7706194	CIF	C37 H53 F12 N7 O12 S4 Zn2	P -1	12.8764; 15.6215; 15.7745 71.766; 77.414; 80.424	2924.7	Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R. Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17642-17648
7706195	CIF	C37 H53 F12 Fe N7 O12 S4 Zn	P -1	12.671; 15.7641; 15.7646 71.79; 80.34; 77.624	2904.4	Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R. Neighbouring effects on catalytic epoxidation by Fe-cyclam in M<sub>2</sub>-PDIxCy complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17642-17648
7706196	CIF	C19 H23 Cl Ir N O	C 1 c 1	10.2639; 13.4056; 13.9884 90; 110.553; 90	1802.2	Ramos, Robin; Zimbron, Jérémy M; Thorimbert, Serge; Chamoreau, Lise-Marie; Munier, Annie; Botuha, Candice; Karaiskou, Anthi; Salmain, Michèle; Sobczak-Thépot, Joëlle Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17635-17641
7706245	CIF	K0.8 Mo1.6 O6.4 U0.4	P 1 21/c 1	9.0775; 4.9444; 15.2017 90; 106.912; 90	652.79	Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V. Extreme condition high temperature and high pressure studies of the K-U-Mo-O system. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15843-15853
7706246	CIF	K5 Mo O37 U10	P 1	8.0728; 11.0224; 11.4744 111.118; 102.845; 104.506	865.09	Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V. Extreme condition high temperature and high pressure studies of the K-U-Mo-O system. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15843-15853
7706247	CIF	C20 H30 N10 O2	C 1 2 1	21.3977; 8.8037; 16.4131 90; 129.973; 90	2369.5	Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V. Extreme condition high temperature and high pressure studies of the K-U-Mo-O system. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15843-15853
7706248	CIF	K3 Mo7 O42 U6	P b c m	13.9807; 10.7427; 25.517 90; 90; 90	3832.4	Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V. Extreme condition high temperature and high pressure studies of the K-U-Mo-O system. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15843-15853
7706249	CIF	C52 H32 Cl6 Co2 N10 O4	P 64	18.412; 18.412; 13.362 90; 90; 120	3922.9	Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N. Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15718-15730
7706250	CIF	C58 H46 Co2 N10 O4	P 1 21/c 1	21.807; 12.592; 18.006 90; 103.952; 90	4798	Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N. Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15718-15730
7706251	CIF	C53 H36 Cl6 Co2 F6 N10 O4 Sb	P 1 21/c 1	14.565; 13.4841; 27.7621 90; 103.074; 90	5311	Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N. Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15718-15730
7706252	CIF	C127.5 H120 Cl7 Co4 F12 N20 O11 Sb2	P -1	14.7291; 17.3069; 28.5952 94.357; 98.039; 115.043	6464.5	Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N. Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15718-15730
7706253	CIF	C21 H22 N6	P 31 2 1	9.0638; 9.0638; 22.3036 90; 90; 120	1586.81	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706254	CIF	C22 H24 Cl2 N2 O6	P -1	10.758; 10.9296; 11.462 67.799; 72.26; 65.898	1120.83	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706255	CIF	C27 H34 Cl2 Mn2 N8 O2	P 31 2 1	17.344; 17.344; 8.807 90; 90; 120	2294.3	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706256	CIF	C43 H60 O6	P 21 21 21	9.673; 10.5884; 39.5971 90; 90; 90	4055.6	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706257	CIF	C21 H22 N2 O6	P 21 21 2	9.7978; 12.4501; 7.9839 90; 90; 90	973.9	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706258	CIF	C26 H24 Cl2 Co Fe N6 O0.09	P 41 21 2	13.1248; 13.1248; 14.3338 90; 90; 90	2469.15	Tupolova, Yulia P.; Shcherbakov, Igor N.; Popov, Leonid D.; Morgunov, Roman B.; Korchagin, Denis V.; Lebedev, Vladimir E.; Palii, Andrew V.; Aldoshin, Sergey M. Field-induced SIM behaviour of a Co(II) complex with a 1,1'-diacetylferrocene-derived ligand. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15592-15596
7706259	CIF	C47 H56 I2 N2 O3 Ru2 S2	P 1 21/c 1	19.6766; 10.0026; 24.018 90; 92.308; 90	4723.3	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706260	CIF	C24 H30 Cl N3 O Ru S2	P 1 21 1	10.107; 11.107; 12.096 90; 108.775; 90	1285.6	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706261	CIF	C21 H28 F6 N3 O P Ru S	P -1	9.5074; 10.0971; 13.5952 74.306; 77.5332; 87.8246	1226.53	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706262	CIF	C23 H34 F6 N4 O P2 Ru S	P -1	8.8476; 11.4425; 13.8462 82.475; 79.907; 88.353	1368.17	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706263	CIF	C27 H33 F6 N3 O P Rh S	P -1	9.8382; 12.2093; 14.1367 67.1738; 80.8485; 68.3017	1453.94	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706264	CIF	C27 H32 F6 N3 O P Ru S	P -1	10.3415; 11.893; 13.3257 67.105; 88.028; 76.623	1466.04	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706265	CIF	C27 H33 F6 Ir N3 O P S	P -1	9.802; 12.3228; 13.9774 68.0585; 81.3239; 69.4402	1465.89	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706266	CIF	C29 H39 F6 N4 O P2 Rh S	P -1	9.4865; 13.5259; 13.573 68.784; 84.539; 78.2	1588.82	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706267	CIF	C21 H29 F6 N3 O P Rh S	P -1	8.7282; 16.3364; 17.8947 93.913; 97.756; 90.927	2521.5	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706268	CIF	C23 H34.5 F6 N4 O P2 Rh S	P 1 21/c 1	21.07; 9.9943; 31.846 90; 99.318; 90	6617.6	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706269	CIF	C31 H42 Cl4 F6 N4 O P2 Ru S	P -1	12.3099; 12.4123; 14.4636 65.2024; 70.4638; 77.004	1881.42	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706270	CIF	C21 H29 F6 Ir N3 O P S	P -1	8.7704; 16.4092; 18.0771 93.7892; 97.5756; 90.7492	2572.6	Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15693-15711
7706271	CIF	Bi4 I6 O24 Se	R 3 c :H	9.568; 9.568; 37.542 90; 90; 120	2976.39	Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua Bi<sub>4</sub>O(I<sub>3</sub>O<sub>10</sub>)(IO<sub>3</sub>)<sub>3</sub>(SeO<sub>4</sub>): trimeric condensation of IO<sub>4</sub><sup>3-</sup> monomers into the I<sub>3</sub>O<sub>10</sub><sup>5-</sup> polymeric anion observed in a three-component mixed-anion NLO material. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15597-15601
7706272	CIF	C19 H23 Cu N3 O9	R 3 2 :H	18.0487; 18.0487; 36.3959 90; 90; 120	10267.7	Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15672-15681
7706273	CIF	C30 H42 B F4 Mn2 N12 O6	P 1 21 1	10.608; 17.057; 10.701 90; 90.415; 90	1936	Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15646-15662
7706274	CIF	C30 H42 F6 Mn2 N12 O6 P	P 1 21 1	10.85; 17.085; 11.085 90; 94.362; 90	2048.9	Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15646-15662
7706275	CIF	C30 H42 B F4 Mn2 N12 O6	P 1 21 1	10.308; 17.943; 11.085 90; 94.077; 90	2045.1	Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15646-15662
7706276	CIF	C30 H42 B F4 Mn2 N12 O6	P 1 21 1	10.532; 17.537; 10.786 90; 93.607; 90	1988.2	Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15646-15662
7706277	CIF	Eu O22.5 U5.5	C 2 2 21	11.629; 20.973; 14.17 90; 90; 90	3456	Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun Uranyl oxide hydrate frameworks with lanthanide ions. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15854-15863
7706278	CIF	Gd O22 U5.5	C 2 2 21	11.624; 20.972; 14.181 90; 90; 90	3457	Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun Uranyl oxide hydrate frameworks with lanthanide ions. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15854-15863
7706279	CIF	C19 H24 N2 O8 Rh2 S	P 1 21 1	10.923; 28.185; 14.6929 90; 90.176; 90	4523.4	Cressy, Derek; Zavala, Cristian; Abshire, Anthony; Sheffield, William; Darko, Ampofo Tuning Rh(II)-catalysed cyclopropanation with tethered thioether ligands. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15779-15787
7706280	CIF	C62 H48 Cl4 Cu2 F6 N12 O6 S2	P -1	12.651; 14.796; 18.256 81.941; 84.184; 74.672	3255.7	Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15504-15510
7706281	CIF	C68 H57 Ag2 F6 N14 O7 S2	P -1	14.906; 15.174; 15.306 81.103; 88.574; 84.738	3406	Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15504-15510
7706282	CIF	C26 H38 N10 O2 Zn2	P 1 21 1	10.3912; 13.1366; 10.9967 90; 100.438; 90	1476.26	Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15481-15503
7706283	CIF	C31 H50 N16 O5 Zn3	P 1 21/n 1	15.8942; 12.7087; 22.4115 90; 110.455; 90	4241.56	Kundu, Bidyut Kumar; Pragti, ?; Mobin, Shaikh M.; Mukhopadhyay, Suman Studies on the influence of the nuclearity of zinc(ii) hemi-salen complexes on some pivotal biological applications. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15481-15503
7706284	CIF	C27 H19 B Cl F15 Fe O3 P2	P -1	8.6538; 11.4042; 16.5963 91.457; 97.082; 102.601	1583.92	Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D. Zero valent iron complexes as base partners in frustrated Lewis pair chemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15184-15189
7706285	CIF	C51 H25.5 B2 F30.5 Fe O4 P2	P -1	12.4374; 14.0427; 15.3107 84.826; 83.992; 80.351	2614.6	Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D. Zero valent iron complexes as base partners in frustrated Lewis pair chemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15184-15189
7706286	CIF	C33 H24 B F15 Fe O3 P2 S	P 1 21/c 1	12.5412; 13.0207; 21.9702 90; 90.14; 90	3587.6	Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D. Zero valent iron complexes as base partners in frustrated Lewis pair chemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15184-15189
7706287	CIF	C13 H16 Cl Cu N3 O S	P 1 21/n 1	5.9302; 20.8486; 12.2568 90; 93.582; 90	1512.43	Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15461-15472
7706288	CIF	C12 H18 Cl Cu N5 O	P 1 21/c 1	20.7663; 9.44; 7.581 90; 98.352; 90	1470.4	Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15461-15472
7706289	CIF	C12 H16 Cl Cu N5 O	P 1 21/c 1	13.1; 8.63; 13.62 90; 97.62; 90	1526	Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15461-15472
7706290	CIF	C23.33 H18 Br4 Co N6.67 S2	P 1 21/c 1	11.1577; 15.6772; 25.97 90; 97.025; 90	4508.61	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706291	CIF	C12 H12 Br2 Co N4 O2 S2	P 1 21/c 1	10.6039; 12.2963; 7.5145 90; 109.444; 90	923.93	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706292	CIF	C16 H14 Br2 Co N6 S2	C 1 2/c 1	8.2037; 13.7945; 18.9686 90; 91.518; 90	2145.85	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706293	CIF	C12 H8 Br2 Co N4 S2	P 1 21/c 1	10.8822; 9.3042; 7.6492 90; 95.274; 90	771.2	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706294	CIF	C14 H16 Br2 Co N4 O2 S2	P -1	6.8581; 7.6865; 10.2102 73.836; 80.371; 79.875	504.9	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706295	CIF	C12 H8 Br2 Co N4 S2	P -1	8.0951; 9.4346; 10.8479 73.304; 83.016; 80.318	779.91	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15310-15322
7706296	CIF	C20 H19 Br Cr O6 S2	P -1	7.5092; 10.8694; 15.5717 100.253; 102.1; 108.802	1134.27	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706297	CIF	C16 H12 O6 S2 W	P -1	7.4467; 10.7958; 12.3241 75.914; 75.794; 70.56	891.44	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706298	CIF	C16 H12 Cr O6 S2	P -1	7.4276; 10.7016; 12.2391 74.238; 75.469; 71.41	872.91	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706299	CIF	C26 H20 Cr2 O12 S2	P -1	7.1185; 9.6691; 10.7876 92.975; 96.209; 103.001	717	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706300	CIF	C37 H29 O12 S3 W2	P -1	11.0377; 12.018; 16.5239 69.06; 74.437; 77.654	1955.1	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706301	CIF	C30.85 H22.85 Cr2 O12 S3	P -1	10.7421; 16.0557; 21.988 101.964; 99.888; 103.629	3507.1	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I. Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15339-15354
7706302	CIF	C22 H47 I23 N33 O2 P Sn6	P -1	14.0051; 14.7298; 22.535 83.978; 85.573; 88.147	4608	McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Variable dimensionality in 'hollow' hybrid tin iodide perovskites. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15171-15174
7706303	CIF	C6 H12 I7 N9 Sn2	P -1	6.403; 14.2301; 14.68 91.42; 93.54; 90.1	1334.6	McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip Variable dimensionality in 'hollow' hybrid tin iodide perovskites. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15171-15174
7706304	CIF	C23 H23 Eu N4 O11	I 1 2/c 1	16.423; 11.4174; 34.1386 90; 102.649; 90	6245.9	Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480
7706305	CIF	C102 H67 Dy4 N9 O47	P -1	10.8561; 14.9304; 19.0399 74.9102; 79.6702; 80.0399	2905.4	Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480
7706306	CIF	C23 H23 N4 Nd O11	I 1 2/c 1	16.5848; 11.528; 33.9909 90; 102.198; 90	6352	Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480
7706307	CIF	C102 H67 N9 O47 Sm4	P -1	10.951; 14.931; 19.1539 74.153; 79.198; 80.098	2935.2	Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480
7706308	CIF	C102 H65 Eu4 N9 O46.5	P -1	10.9059; 15.0573; 19.0395 73.965; 79.657; 80.859	2936.3	Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480
7706309	CIF	C70 H24 Au Cl0 F33 Fe3 N3 O3 P3 S	P -1	12.6634; 15.103; 19.1877 93.198; 97.777; 103.745	3517.1	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
7706310	CIF	C71 H25.75 Ag Cl F33 Fe3 N3 O3 P3 S	P -1	12.7215; 15.1519; 19.1988 93.368; 98.006; 103.392	3549	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
7706311	CIF	C93 H97 Au F3 Fe3 O8 P3 S	P 1 21/n 1	23.1998; 16.4337; 23.6527 90; 107.834; 90	8584.5	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
7706312	CIF	C156.5 H127.5 Au3 Cl0 F3 Fe6 N6 O3 P6 S	P -1	12.4778; 23.4172; 27.2317 70.125; 84.26; 89.076	7444.1	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
7706313	CIF	C147 H108 Au3 F15 Fe6 O9 P6 S3	P -1	14.1825; 19.1612; 31.3978 80.713; 84.878; 85.819	8372.1	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
7706314	CIF	C153 H122 Au3 F6 Fe6 N0 O6 P6 S2	P -1	12.6182; 23.5315; 27.2516 69.34; 83.591; 88.26	7523.6	Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16667-16682
9000123	CIF	Fe3 S4	F d -3 m :2	9.876; 9.876; 9.876 90; 90; 90	963.259	Skinner, B. J.; Erd, R. C.; Grimaldi, F. S. Greigite, the thio-spinel of iron; a new mineral American Mineralogist, 1964, 49, 543-555
9000124	CIF	Al1.8 Ca0.075 H1.333 Na0.15 O13.333 Si4.2	F d -3 m :2	24.74; 24.74; 24.74 90; 90; 90	15142.6	Baur, W. H. On the cation and water positions in faujasite American Mineralogist, 1964, 49, 697-704
9000125	CIF	B6 H8 O14 Sr	P 1 21/a 1	14.39; 8.213; 9.934 90; 114.03; 90	1072.3	Clark, J. R. The crystal structure of tunellite, SrB6O9(OH)2.3H2O American Mineralogist, 1964, 49, 1549-1568
9000129	CIF	Cu H4 O8 P U2	P 4/n :1	6.969; 6.969; 17.306 90; 90; 90	840.5	Ross, M.; Evans, H. T.; Appleman, D. E. Studies of the torbernite minerals (II): The crystal structure of meta-torbernite American Mineralogist, 1964, 49, 1603-1621
9007886	CIF	S8	P 1 2/c 1	8.455; 13.052; 9.267 90; 124.89; 90	838.836	Gallacher, A. C.; Pinkerton, A. A. A redetermination of monoclinic gamma-sulfur Note: known as gamma sulfur Acta Crystallographica, Section C, 1993, 49, 125-126
9009464	CIF	Cl Cu2 H3 O3	P 1 21/m 1	5.717; 6.126; 5.636 90; 93.07; 90	197.103	Hawthorne, F. C. Refinement of the crystal structure of botallackite Mineralogical Magazine, 1985, 49, 87-89
9009465	CIF	Ca H2 O8 Si2 Zn2	A m a 2	12.51; 6.318; 8.561 90; 90; 90	676.646	Hamilton, R. D.; Finney, J. J. The structure of junitoite, CaZn2Si2O7*H2O Mineralogical Magazine, 1985, 49, 91-95
9009466	CIF	Ca5 Mn O33 Pb9 Si9	P -6	9.85; 9.85; 10.13 90; 90; 120	851.163	Dunn, P. J.; Peacor, D. R.; Valley, J. W.; Randall, C. A. Ganomalite from Franklin, New Jersey, and Jakobsberg, Sweden: New chemical and crystallographic data Note: structure from ICSD Mineralogical Magazine, 1985, 49, 579-582
9009671	CIF	Al2 O3	R -3 c :H	4.7657; 4.7657; 13.01 90; 90; 120	255.895	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 0 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009672	CIF	Al2 O3	R -3 c :H	4.7517; 4.7517; 12.965 90; 90; 120	253.514	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 28 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009673	CIF	Al2 O3	R -3 c :H	4.7418; 4.7418; 12.921 90; 90; 120	251.601	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 42 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009674	CIF	Al2 O3	R -3 c :H	4.7351; 4.7351; 12.901 90; 90; 120	250.503	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 60 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009675	CIF	Al2 O3	R -3 c :H	4.7242; 4.7242; 12.881 90; 90; 120	248.964	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 74 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009676	CIF	Al2 O3	R -3 c :H	4.7212; 4.7212; 12.872 90; 90; 120	248.474	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 81 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009677	CIF	Al2 O3	R -3 c :H	4.7154; 4.7154; 12.851 90; 90; 120	247.46	d'Amour H; Schiferl, D.; Denner, W.; Schulz, H.; Holzapfel, W. B. High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer P = 90 kbar Journal of Applied Physics, 1978, 49, 4411-4416
9009679	CIF	Al2 O3	R -3 c :H	4.7537; 4.7537; 12.9725 90; 90; 120	253.874	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 11 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009680	CIF	Al2 O3	R -3 c :H	4.7474; 4.7474; 12.9542 90; 90; 120	252.844	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 21 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009681	CIF	Al2 O3	R -3 c :H	4.7437; 4.7437; 12.943 90; 90; 120	252.232	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 28 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009682	CIF	Al2 O3	R -3 c :H	4.7406; 4.7406; 12.9326 90; 90; 120	251.7	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 35 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009683	CIF	Al2 O3	R -3 c :H	4.7352; 4.7352; 12.9176 90; 90; 120	250.836	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 46 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009684	CIF	Al2 O3	R -3 c :H	4.718; 4.718; 12.818 90; 90; 120	247.097	Finger, L. W.; Hazen, R. M. Crystal structure and compression of ruby to 46 kbar P = 80 kbar Journal of Applied Physics, 1978, 49, 5823-5826
9009851	CIF	Co Ni2 S4	F d -3 m :2	9.424; 9.424; 9.424 90; 90; 90	836.962	Huang, C. H.; Knop, O. Chalkogenides of the transition elements. VIII A X-ray and neutron diffraction study of the spinel CoNi2S4 Sample: examined with X-ray diffraction Canadian Journal of Chemistry, 1971, 49, 598-602
9009852	CIF	Co Ni2 S4	F d -3 m :2	9.424; 9.424; 9.424 90; 90; 90	836.962	Huang, C. H.; Knop, O. Chalkogenides of the transition elements. VIII A X-ray and neutron diffraction study of the spinel CoNi2S4 Sample: examined with neutron diffraction Canadian Journal of Chemistry, 1971, 49, 598-602
9011278	CIF	Au Te2	C 1 2/m 1	7.189; 4.407; 5.069 90; 89.96; 90	160.596	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011279	CIF	Au Te2	C 1 2/m 1	7.189; 4.407; 5.069 90; 89.96; 90	160.596	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011280	CIF	Au Te2	C 1 2/m 1	7.171; 4.385; 5.064 90; 90.04; 90	159.237	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011281	CIF	Au Te2	C 1 2/m 1	7.164; 4.371; 5.064 90; 90; 90	158.573	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011282	CIF	Au Te2	C 1 2/m 1	7.129; 4.314; 5.036 90; 90.15; 90	154.879	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011283	CIF	Au Te2	C 1 2/m 1	7.11; 4.29; 5.05 90; 90.3; 90	154.032	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011284	CIF	Au Te2	C 1 2/m 1	7.1; 4.286; 5.029 90; 90.3; 90	153.033	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011285	CIF	Au Te2	C 1 2/m 1	7.1; 4.221; 5.029 90; 90.4; 90	150.711	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011286	CIF	Au Te2	P -3 m 1	4.1; 4.1; 5.021 90; 90; 120	73.095	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011287	CIF	Au Te2	P -3 m 1	4.078; 4.078; 5 90; 90; 120	72.01	Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa Acta Crystallographica, Section B, 1993, 49, 6-11
9011288	CIF	H12 Ni O10 S	P 43 21 2	6.7778; 6.7778; 18.176 90; 90; 90	834.979	Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD Acta Crystallographica, Section B, 1993, 49, 192-201
9011289	CIF	Ni O10 S	P 43 21 2	6.7778; 6.7778; 18.176 90; 90; 90	834.979	Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement Acta Crystallographica, Section B, 1993, 49, 192-201
9011290	CIF	F6 K2 Si	F m -3 m	8.1419; 8.1419; 8.1419 90; 90; 90	539.731	Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms Acta Crystallographica, Section B, 1993, 49, 967-973
9011291	CIF	F6 K2 Si	F m -3 m	8.1419; 8.1419; 8.1419 90; 90; 90	539.731	Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms Acta Crystallographica, Section B, 1993, 49, 967-973
9011292	CIF	F6 K2 Si	F m -3 m	8.1419; 8.1419; 8.1419 90; 90; 90	539.731	Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha Acta Crystallographica, Section B, 1993, 49, 967-973
9011293	CIF	Cl6 K2 Pd	F m -3 m	8.1419; 8.1419; 8.1419 90; 90; 90	539.731	Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Acta Crystallographica, Section B, 1993, 49, 967-973
9011374	CIF	Al4.44 Ca5.76 Cl2.76 Fe0.48 Mg0.24 O16 Si2.08	I -4 3 d	12.001; 12.001; 12.001 90; 90; 90	1728.43	Tsukimura, K.; Kanazawa, Y.; Aoki, M.; Bunno, M. Structure of wadalite Ca6Al5Si2O16Cl3 Note: the values for the anisoU's are from ICSD Acta Crystallographica, Section C, 1993, 49, 205-207
9011615	CIF	Co	P 63/m m c	2.519; 2.519; 4.091 90; 90; 120	22.481	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at room T Note: cell edge a is average of photographs 1 & 2 Physical Review, 1936, 49, 831-837
9011616	CIF	Co	P 63/m m c	2.527; 2.527; 4.119 90; 90; 120	22.779	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 295 C Note: photograph 3 Physical Review, 1936, 49, 831-837
9011617	CIF	Co	P 63/m m c	2.536; 2.536; 4.136 90; 90; 120	23.036	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 420 C Note: photograph 4 Physical Review, 1936, 49, 831-837
9011618	CIF	Co	F m -3 m	3.559; 3.559; 3.559 90; 90; 90	45.08	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at room T Note: cell parameter is average of photographs 5-8 Physical Review, 1936, 49, 831-837
9011619	CIF	Co	F m -3 m	3.573; 3.573; 3.573 90; 90; 90	45.614	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 295 C Note: photograph 9 Physical Review, 1936, 49, 831-837
9011620	CIF	Co	F m -3 m	3.579; 3.579; 3.579 90; 90; 90	45.844	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 420 C Note: photograph 10 Physical Review, 1936, 49, 831-837
9011621	CIF	Co	F m -3 m	3.589; 3.589; 3.589 90; 90; 90	46.23	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 625 C Note: photograph 11 Physical Review, 1936, 49, 831-837
9011622	CIF	Co	F m -3 m	3.602; 3.602; 3.602 90; 90; 90	46.734	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 843 C Note: photograph 12 Physical Review, 1936, 49, 831-837
9011623	CIF	Co	F m -3 m	3.617; 3.617; 3.617 90; 90; 90	47.32	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 1099 C Note: photograph 13 Physical Review, 1936, 49, 831-837
9011624	CIF	Co	F m -3 m	3.628; 3.628; 3.628 90; 90; 90	47.753	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 1121 C Note: photograph 14 Physical Review, 1936, 49, 831-837
9011625	CIF	Co	F m -3 m	3.644; 3.644; 3.644 90; 90; 90	48.388	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 1148 C Note: photograph 15 Physical Review, 1936, 49, 831-837
9011626	CIF	Co	F m -3 m	3.647; 3.647; 3.647 90; 90; 90	48.507	Marick, L. Variation of resistance and structure of cobalt with temperature and a discussion of its photoelectric emission Sample: at T = 1187 C Note: photograph 16 Physical Review, 1936, 49, 831-837
9012471	CIF	F2	C 1 2/m 1	5.5; 3.28; 10.01 90; 134.66; 90	128.445	Meyer, L.; Barrett, C. S.; Greer, S. C. Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K Journal of Chemical Physics, 1968, 49, 1902-1907
9012660	CIF	Ba0.05 Ca0.4 H6.136 K0.4 Na1.4 Nb1.6 O35.3 Si8 Sr0.8 Ti2.4	C 1 2/m 1	14.596; 14.249; 15.852 90; 117.27; 90	2930.45	Organova, N. I.; Krivovichev, S. V.; Shlyukova, Z. V.; Zadov, A. E.; Rozhdestvenskaya, I. V.; Ivanova, T. I. Structure of new mineral paratsepinite-Na and its place in the labuntsovite group Crystallography Reports, 2004, 49, 946-952
9012661	CIF	Ba1.9 Ce2 F0.7 Fe0.16 H2.3 K0.05 Mg0.05 Mn0.52 Na0.95 O27.3 Si8 Sr0.1 Ti2 Zn0.27	A m a 2	22.301; 10.514; 9.669 90; 90; 90	2267.12	Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Tillmanns, E.; Pekov, I. V.; Krotova, O. D. Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O Crystallography Reports, 2004, 49, 964-968
9012692	CIF	Fe2 O3	P 43 21 2	8.3396; 8.3396; 8.322 90; 90; 90	578.786	Greaves, C. A powder neutron diffraction investigation of vacancy ordering and covalence in gamma-Fe2O3 Locality: synthetic Sample: T = 4 K Journal of Solid State Chemistry, 1983, 49, 325-333
9012788	CIF	O6 Pb Si U	P 1 21/c 1	6.66; 6.96; 13.23 90; 104; 90	595.042	Huynen, A. M.; Piret-Meunier J; Van Meerssche, M. Structure de la kasolite Academie Royale de Belgique, Classe des Sciences: Bulletin, 1963, 49, 192-201
9013143	CIF	H18 Na2 O12 Si	I b c a	11.7119; 19.973; 11.5652 90; 90; 90	2705.35	Pekova, I. V.; Chukanov, N. V.; Zadov, A. E.; Zubkova, N. V.; Pushcharovsky D Yu Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure of a new mineral species Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2007, 49, 727-738
9014014	CIF	Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6	R 3 m :H	15.8675; 15.8675; 7.1135 90; 90; 120	1551.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, disordered model The Canadian Mineralogist, 2011, 49, 63-88
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
9014051	CIF	Al7.287 B3 Ca0.685 F0.685 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003	R 3 m :H	15.8307; 15.8307; 7.1013 90; 90; 120	1541.23	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014060	CIF	As H7.5 K0.5 O9.5 U	P 4/n c c :2	7.171; 7.171; 18.048 90; 90; 90	928.087	Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O) American Mineralogist, 1964, 49, 1578-1602
9014078	CIF	Al2 H19 O18 P S	P 1 21/n 1	13.9163; 17.2422; 6.1125 90; 98.255; 90	1451.48	Colombo, F.; Rius, J.; Pannunzio-Miner E V; Pedregosa, J. C.; Cami, G. E.; Carbonio, R. E. Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina The Canadian Mineralogist, 2011, 49, 835-847
9014094	CIF	Al7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003	R 3 m :H	15.8548; 15.8548; 7.1099 90; 90; 120	1547.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014142	CIF	Al7.224 B3 Ca0.636 F0.708 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003	R 3 m :H	15.8363; 15.8363; 7.104 90; 90; 120	1542.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014149	CIF	H5.08 K0.92 O12 S U2	C 1 2/m 1	8.7802; 13.9903; 8.863 90; 104.524; 90	1053.92	Plasil, J.; Mills, S. J.; Fejfarova, K.; Dusek, M.; Novak, M.; Skoda, R.; Cejka, J.; Sejkora, J. The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, from Jachymov, Czech Republic The Canadian Mineralogist, 2011, 49, 1089-1103
9014153	CIF	B Ca H O3	P 1 21/m 1	6.6994; 5.4269; 3.5534 90; 93.048; 90	129.008	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K The Canadian Mineralogist, 2011, 49, 823-834
9014168	CIF	Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009	R 3 m :H	15.8368; 15.8368; 7.1014 90; 90; 120	1542.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014190	CIF	As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7	F d -3 m :2	10.4396; 10.4396; 10.4396 90; 90; 90	1137.76	Andrade, M. B.; Atencio, D.; Menezes, L. A. D.; Ellena, J. The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil The Canadian Mineralogist, 2011, 49, 615-621
9014221	CIF	Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012	R 3 m :H	15.8404; 15.8404; 7.1039 90; 90; 120	1543.69	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014290	CIF	As H10 N O9 U	P 4/n c c :2	7.189; 7.189; 18.191 90; 90; 90	940.142	Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4 American Mineralogist, 1964, 49, 1578-1602
9014317	CIF	Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.331 Li1.626 Mn0.027 Na0.248 O30.331 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8343; 15.8343; 7.1012 90; 90; 120	1541.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014381	CIF	Al7.194 B3 Ca0.563 F0.693 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6	R 3 m :H	15.8529; 15.8529; 7.1101 90; 90; 120	1547.47	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014438	CIF	B H3 Mg3 O6	P 63/m	8.924; 8.924; 3.116 90; 90; 120	214.905	Rudnev, V. V.; Chukanov, N. V.; Nechelyustov, G. N.; Yamnova, N. A. Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and isomorphous series fluoborite-hydroxylborite series Geology of Ore Deposits, 2007, 49, 710-719
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
9014449	CIF	Al7.335 B3 Ca0.688 F0.73 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8293; 15.8293; 7.1003 90; 90; 120	1540.74	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014458	CIF	Al7.251 B3 Ca0.638 F0.668 Fe0.132 H3.332 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.332 Pb0.006 Si6 Ti0.006	R 3 m :H	15.8399; 15.8399; 7.103 90; 90; 120	1543.4	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014507	CIF	H47.64 Mg Na4 O51.82 V10	P -1	9.0425; 11.3303; 11.7353 105.222; 97.377; 100.791	1119.46	Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864
9014519	CIF	Fe2 H5 O7 S0.5	C 1 2/m 1	16.068; 3.058; 10.929 90; 93.82; 90	535.814	Biagioni, C.; Bonaccorsi, E.; Orlandi, P. Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species from Fornovolasco, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2011, 49, 605-614
9014523	CIF	Al7.293 B3 Ca0.684 F0.712 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6	R 3 m :H	15.8286; 15.8286; 7.1012 90; 90; 120	1540.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014533	CIF	Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.303 Li1.605 Mn0.18 Na0.288 O30.303 Pb0.023 Si6	R 3 m :H	15.8418; 15.8418; 7.1044 90; 90; 120	1544.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014596	CIF	Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.367 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.367 Pb0.006 Si6 Ti0.018	R 3 m :H	15.8333; 15.8333; 7.1025 90; 90; 120	1542	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014620	CIF	Al7.239 B3 Ca0.683 F0.638 Fe0.063 H3.362 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.362 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8306; 15.8306; 7.0999 90; 90; 120	1540.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9014641	CIF	Al7.194 B3 Ca0.66 F0.434 Fe0.093 H3.566 Li1.647 Mn0.051 Na0.272 O30.566 Pb0.005 Si6 Ti0.009	R 3 m :H	15.8368; 15.8368; 7.1014 90; 90; 120	1542.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, ordered model The Canadian Mineralogist, 2011, 49, 63-88
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
9014662	CIF	Al7.191 B3 Ca0.51 F0.753 Fe0.027 H3.246 Li1.359 Mn0.423 Na0.408 O30.246 Pb0.026 Si6	R 3 m :H	15.853; 15.853; 7.12 90; 90; 120	1549.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014664	CIF	Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886	P 3 1 m	5.3244; 5.3244; 7.268 90; 90; 120	178.438	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9014700	CIF	Al H44 Na3 O50 V10	P -1	8.668; 10.295; 12.908 105.826; 97.899; 103.385	1053.06	Rakovan, J.; Schmidt, G. R.; Gunter, M. E.; Nash, B.; Marty, J.; Kampf, A. R.; Wise, W. S. Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals from the Sunday mine, San Miguel county, Colorado The Canadian Mineralogist, 2011, 49, 1253-1265
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
9014724	CIF	Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.51 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.51 Pb0.007 Si6 Ti0.003	R 3 m :H	15.8299; 15.8299; 7.1009 90; 90; 120	1540.99	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014795	CIF	Al7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8293; 15.8293; 7.1003 90; 90; 120	1540.74	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014798	CIF	Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97	R 3 c :H	10.3394; 10.3394; 37.0836 90; 90; 120	3433.23	Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 The Canadian Mineralogist, 2011, 49, 1065-1078
9014799	CIF	Ni3 Sn	P m -3 m	3.7349; 3.7349; 3.7349 90; 90; 90	52.1	Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L. Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec The Canadian Mineralogist, 2011, 49, 651-656
9014864	CIF	Al7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 Pb0.006 Si6 Ti0.009	R 3 m :H	15.8449; 15.8449; 7.1053 90; 90; 120	1544.87	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9014875	CIF	Al7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6	R 3 m :H	15.8529; 15.8529; 7.1101 90; 90; 120	1547.47	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L2, ordered model The Canadian Mineralogist, 2011, 49, 63-88
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
9014928	CIF	As3 Ca4 H9 O16	P 1 21/c 1	5.822; 10.175; 22.8816 90; 96.902; 90	1345.66	Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R080001 The Canadian Mineralogist, 2011, 49, 1055-1064
9014930	CIF	Bi0.15 Ca0.65 F Na1.11 O6 Ta2	F d -3 m :2	10.4451; 10.4451; 10.4451 90; 90; 90	1139.56	Witzke, T.; Steins, M.; Doering, T.; Schuckmann, W.; Wegner, R.; Pollmann, H. Fluornatromicrolite, (Na,Ca,Bi)2Ta2O6F, a new mineral species from Quixaba, Paraiba, Brazil The Canadian Mineralogist, 2011, 49, 1105-1110
9014946	CIF	Ca0.44 H22 Na1.56 O25 V5	C 1 2/m 1	19.848; 10.1889; 13.1184 90; 130.187; 90	2026.68	Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Gunterite, Na4(H2O)16(H2V10O28)*6H2O, a new mineral species with a doubly-protonated decavanadate polyanion: crystal structure and descriptive mineralogy The Canadian Mineralogist, 2011, 49, 1243-1251
9014971	CIF	B5 Ca2 H7 O13	P 1 21/c 1	11.58; 6.9844; 12.352 90; 110.573; 90	935.309	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834
9014979	CIF	Al6.03 B3 Ca0.04 F0.61 Fe0.87 H3.39 Li0.12 Mg1.83 Mn0.09 Na0.88 O30.39 Si6 Ti0.03	R 3 m :H	15.955; 15.955; 7.153 90; 90; 120	1576.93	Clark, C. M.; Hawthorne, F. C.; Ottolini, L. Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline group from the Crabtree Emerald mine, Mitchell County, North Carolina: Description and crystal structure The Canadian Mineralogist, 2011, 49, 57-62
9014982	CIF	Al7.287 B3 Ca0.685 F0.684 Fe0.06 H3.315 Li1.617 Mn0.036 Na0.245 O30.315 Pb0.01 Si6 Ti0.003	R 3 m :H	15.8307; 15.8307; 7.1013 90; 90; 120	1541.23	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L16, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015006	CIF	Al7.188 B3 Ca0.628 F0.702 Fe0.021 H3.298 Li1.584 Mn0.207 Na0.297 O30.298 Pb0.023 Si6	R 3 m :H	15.8456; 15.8456; 7.1066 90; 90; 120	1545.29	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015030	CIF	Al7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6	R 3 m :H	15.853; 15.853; 7.12 90; 90; 120	1549.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015035	CIF	Al7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003	R 3 m :H	15.8636; 15.8636; 7.1119 90; 90; 120	1549.96	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015039	CIF	Al6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30	P 1 c 1	13.4517; 12.5266; 26.6765 90; 101.582; 90	4403.57	Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C. The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample The Canadian Mineralogist, 2011, 49, 1221-1242
9015163	CIF	Al0.223 Fe0.141 H4 Mg2.742 O9 Si1.888	P 3 1 m	5.3259; 5.3259; 7.2726 90; 90; 120	178.651	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 1, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9015188	CIF	Al7.308 B3 Ca0.691 F0.678 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8303; 15.8303; 7.1017 90; 90; 120	1541.24	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015228	CIF	As3 Ca4 H9 O16	P 1 21/c 1	5.8279; 10.1802; 22.8944 90; 96.943; 90	1348.35	Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A. The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075 The Canadian Mineralogist, 2011, 49, 1055-1064
9015234	CIF	Cu Fe S2	I -4 2 d	5.29; 5.29; 10.4217 90; 90; 90	291.642	Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K The Canadian Mineralogist, 2011, 49, 1015-1034
9015248	CIF	Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7	R 3 c :H	10.359; 10.359; 37.0857 90; 90; 120	3446.46	Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds The Canadian Mineralogist, 2011, 49, 1065-1078
9015314	CIF	Ca H8 O15 Si4 V	P c m n	9.7614; 13.6666; 9.6049 90; 90; 90	1281.34	Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K The Canadian Mineralogist, 2011, 49, 1267-1272
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
9015347	CIF	Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006	R 3 m :H	15.8399; 15.8399; 7.103 90; 90; 120	1543.4	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L21, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015383	CIF	B Ca H O3	P 1 21/m 1	6.6798; 5.4208; 3.5466 90; 93.245; 90	128.216	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834
9015391	CIF	Ba Cl0.23 Fe3 H0.77 O8.77 Si2	C 1 2/m 1	20.3459; 7.0119; 5.3879 90; 94.874; 90	765.877	Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E. Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. The Canadian Mineralogist, 2011, 49, 587-594
9015419	CIF	Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044	P 63/m	6.0861; 6.0861; 3.681 90; 90; 120	118.08	Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D. The single-crystal X-ray structure of gagarinite-(Ce) The Canadian Mineralogist, 2011, 49, 1111-1114
9015423	CIF	Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003	R 3 m :H	15.8343; 15.8343; 7.1012 90; 90; 120	1541.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015486	CIF	Al0.151 Fe0.174 H4 Mg2.745 O9 Si1.924	P 3 1 m	5.323; 5.323; 7.27 90; 90; 120	178.393	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: sample Sassomorello, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9015535	CIF	Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.286 Li1.557 Mn0.03 Na0.282 O30.286 Pb0.009 Si6 Ti0.006	R 3 m :H	15.8337; 15.8337; 7.1023 90; 90; 120	1542.04	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, ordered model The Canadian Mineralogist, 2011, 49, 63-88
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
9015565	CIF	Ag2 Bi4 Pb Se8	P 1 21/m 1	13.203; 4.186; 15.28 90; 109.164; 90	797.692	Sejkora, J.; Makovicky, E.; Topa, D.; Putz, H.; Zagler, G.; Pasil, J. Litochlebite, Ag2PbBi4Se8, a new selenide mineral species from Zalesi, Czech Republic: description and crystal structure The Canadian Mineralogist, 2011, 49, 639-650
9015580	CIF	Al0.209 Fe0.105 H4 Mg2.787 O9 Si1.896	P 3 1 m	5.3234; 5.3234; 7.2721 90; 90; 120	178.471	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 3, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9015587	CIF	Al7.173 B3 Ca0.517 F0.588 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003	R 3 m :H	15.8548; 15.8548; 7.1099 90; 90; 120	1547.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L4, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015588	CIF	Cu5 H14 O18 S2	P -1	6.064; 11.012; 5.49 102.68; 92.43; 92.06	356.956	Strandberg, H.; Langer, V.; Johansson, L. G. Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper Acta Chemica Scandinavica, 1995, 49, 5-10
9015603	CIF	Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 Pb0.009 Si6 Ti0.006	R 3 m :H	15.8337; 15.8337; 7.1023 90; 90; 120	1542.04	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015636	CIF	Cu Fe S2	I -4 2 d	5.28563; 5.28563; 10.41917 90; 90; 90	291.09	Knight, K. S.; Marshall, W. G.; Zochowski, S. W. The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 4.2 K The Canadian Mineralogist, 2011, 49, 1015-1034
9015678	CIF	Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009	R 3 m :H	15.8449; 15.8449; 7.1053 90; 90; 120	1544.87	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015679	CIF	H47.44 Mg Na4 O51.72 V10	P -1	9.0453; 11.3337; 11.7372 105.223; 97.383; 100.79	1120.3	Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864
9015689	CIF	Ca H8 O15 Si4 V	P c m n	9.7518; 13.6854; 9.5965 90; 90; 90	1280.72	Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K The Canadian Mineralogist, 2011, 49, 1267-1272
9015712	CIF	Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006	R 3 m :H	15.8438; 15.8438; 7.1043 90; 90; 120	1544.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015721	CIF	Cu3 H6 O11 V2	I 1 a 1	10.646; 5.867; 14.432 90; 95.19; 90	897.728	Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O Journal of Structural Chemistry, 2008, 49, 708-711
9015758	CIF	Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.366 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.366 Pb0.006 Si6 Ti0.018	R 3 m :H	15.8333; 15.8333; 7.1025 90; 90; 120	1542	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L27, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015786	CIF	As2 Ca2 Cu H4 O10	P 1 21/c 1	5.8618; 12.7854; 5.7025 90; 109.425; 90	403.049	Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T. Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile The Canadian Mineralogist, 2011, 49, 877-884
9015798	CIF	C0.409 Al4 Ca1.352 Cl0.55 Fe0.012 K0.16 Na2.188 O25.388 S0.04 Si8 Sr0.016	P 42/n :2	12.07899; 12.07899; 7.583467 90; 90; 90	1106.44	Antao, S. M.; Hassan, I. Complete Al-Si order in scapolite Me37.5, ideally Ca3Na5[Al8Si16O48]Cl(CO3), and implications for antiphase domain boundaries (APBs) The Canadian Mineralogist, 2011, 49, 581-586
9015848	CIF	Al7.239 B3 Ca0.683 F0.639 Fe0.063 H3.36 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.36 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8306; 15.8306; 7.0999 90; 90; 120	1540.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015850	CIF	Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.337 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.337 Pb0.007 Si6 Ti0.006	R 3 m :H	15.8438; 15.8438; 7.1043 90; 90; 120	1544.44	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015875	CIF	C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72	P 63 m c	12.584; 12.584; 5.101 90; 90; 120	699.557	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# u1631 The Canadian Mineralogist, 2012, 49, 1129-1150
9015890	CIF	Al7.188 B3 Ca0.628 F0.702 Fe0.021 H5.97 Li1.584 Mn0.207 Na0.297 O32.97 Pb0.023 Si6	R 3 m :H	15.8456; 15.8456; 7.1066 90; 90; 120	1545.29	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L5, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015909	CIF	B Ca H O3	P 1 21/c 1	3.5624; 9.5225; 8.6231 90; 119.452; 90	254.718	Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K The Canadian Mineralogist, 2011, 49, 823-834
9015915	CIF	Al7.293 B3 Ca0.684 F0.711 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6	R 3 m :H	15.8286; 15.8286; 7.1012 90; 90; 120	1540.8	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L24, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9015986	CIF	As H6 K O9 U	P 4/n c c :2	7.176; 7.176; 18.126 90; 90; 90	933.398	Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O American Mineralogist, 1964, 49, 1578-1602
9015987	CIF	Al7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003	R 3 m :H	15.8363; 15.8363; 7.104 90; 90; 120	1542.91	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9015996	CIF	Al7.308 B3 Ca0.691 F0.679 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003	R 3 m :H	15.8303; 15.8303; 7.1017 90; 90; 120	1541.24	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9016037	CIF	Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.322 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.322 Pb0.007 Si6 Ti0.003	R 3 m :H	15.8299; 15.8299; 7.1009 90; 90; 120	1540.99	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L23, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9016050	CIF	Al0.201 Fe0.339 H4 Mg2.544 O9 Si1.904	P 3 1 m	5.3263; 5.3263; 7.2885 90; 90; 120	179.069	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: sample Santa Scolastica, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9016060	CIF	Al7.239 B3 Ca0.487 F0.708 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003	R 3 m :H	15.8636; 15.8636; 7.1119 90; 90; 120	1549.96	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9016135	CIF	B H O2	P 1 21/a 1	7.127; 8.842; 6.773 90; 93.21; 90	426.144	Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2011, 49, 1273-1279
9016136	CIF	B O8 P Th2	P 1 21/c 1	8.4665; 7.9552; 8.2297 90; 103.746; 90	538.417	Lipp, C.; Burns, P. C. Th2[BO4][PO4]: a rare example of an actinide borate-phosphate The Canadian Mineralogist, 2011, 49, 1211-1220
9016147	CIF	Al0.235 Fe0.147 H4 Mg2.733 O9 Si1.882	P 3 1 m	5.3261; 5.3261; 7.273 90; 90; 120	178.675	Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E. The crystal chemistry of lizardite-1T from north Apennines ophiolites near Modena, Italy Note: Varana 2, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054
9016176	CIF	Al7.257 B3 Ca0.696 F0.668 Fe0.03 H3.332 Li1.68 Mn0.033 Na0.228 O30.332 Pb0.01 Si6	R 3 m :H	15.8248; 15.8248; 7.0993 90; 90; 120	1539.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L15, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9016226	CIF	Fe1.74 K0.81 Mn0.26 Na0.35 O30 Si12 Zn2.79	P 6/m c c	10.12; 10.12; 14.298 90; 90; 120	1268.14	Bojar, H. P.; Walter, F.; Hauzenberger, C.; Postl, W. Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species from the Kloch volcano, Styria, Austria The Canadian Mineralogist, 2011, 49, 1115-1124
9016250	CIF	Al7.257 B3 Ca0.696 F0.666 Fe0.03 H3.333 Li1.68 Mn0.033 Na0.228 O30.333 Pb0.01 Si6	R 3 m :H	15.8248; 15.8248; 7.0993 90; 90; 120	1539.65	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L15, disordered model The Canadian Mineralogist, 2011, 49, 63-88
9016276	CIF	Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.304 Li1.605 Mn0.18 Na0.288 O30.304 Pb0.023 Si6	R 3 m :H	15.8418; 15.8418; 7.1044 90; 90; 120	1544.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9016284	CIF	Ca5.1 H3.92 Na3.62 O43.96 Si16	P -1	9.576; 9.577; 16.438 85.85; 75.23; 60.142	1261.54	Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Krivovichev, S. V.; Zolotarev, A. A.; Zalkind, O. A. Ellingsenite, Na5Ca6Si18O38(OH)13*6H2O, a new martinite-related mineral species from phonolite of the Aris alkaline complex, Namibia Note: This is reported as an incomplete structure The Canadian Mineralogist, 2011, 49, 1165-1173
9016341	CIF	As4 Ca Cu4 H22 O26	P -1	6.439; 7.999; 10.849 85.78; 81.22; 85.05	549.139	Sejkora, J.; Plasil, J.; Veselovsky, F.; Cisarova, I.; Hlousek, J. Ondrusite, CaCu4(AsO4)2(AsO3OH)2*10H2O, a new mineral species from the Jachymov ore district, Czech Republic: Description and crystal-structure determination The Canadian Mineralogist, 2011, 49, 885-897
9016345	CIF	Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031	P 1	15.903; 15.9118; 7.2304 90.063; 89.793; 119.742	1588.59	Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J. Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite The Canadian Mineralogist, 2011, 49, 29-40
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
9016383	CIF	Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4	I m c b	11.476; 15.744; 7.228 90; 90; 90	1305.94	Hatert, F.; Lefevre, P.; Fransolet, A. M. The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] The Canadian Mineralogist, 2011, 49, 1079-1087
9016542	CIF	Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.319 Li1.278 Mn0.531 Na0.471 O30.319 Pb0.025 Si6	R 3 m :H	15.8675; 15.8675; 7.1135 90; 90; 120	1551.07	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, ordered model The Canadian Mineralogist, 2011, 49, 63-88
9016583	CIF	Al7.203 B3 Ca0.63 F0.69 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012	R 3 m :H	15.8404; 15.8404; 7.1039 90; 90; 120	1543.69	Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L28, disordered model The Canadian Mineralogist, 2011, 49, 63-88
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
9016621	CIF	Cl Cr2 F H2 O10 Pb4	P m m n :2	7.6256; 11.6081; 6.8961 90; 90; 90	610.434	Cooper, M. A.; Ball, N. A.; Hawthorne, F. C.; Paar, W. H.; Roberts, A. C.; Moffatt, E. Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure The Canadian Mineralogist, 2011, 49, 865-876
9016659	CIF	Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7	R 3 c :H	10.3224; 10.3224; 37.07 90; 90; 120	3420.7	Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109 The Canadian Mineralogist, 2011, 49, 1065-1078
9016664	CIF	H30 Na3 O43 V10	P 1 21/n 1	12.0248; 17.121; 18.14 90; 106.242; 90	3585.55	Kampf, A. R.; Hughes, J. M.; Marty, J.; Gunter, M. E.; Nash, B. Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the pascoite family with a protonated decavanadate polyanion The Canadian Mineralogist, 2011, 49, 595-604
9016713	CIF	Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30	P 1 c 1	13.4499; 12.5046; 26.6148 90; 101.221; 90	4390.66	Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C. The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: brown sample The Canadian Mineralogist, 2011, 49, 1221-1242
9017420	CIF	Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36	C 1 2/c 1	15.941; 11.877; 6.625 90; 95.09; 90	1249.37	Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A. Refinement of the crystal structure of Zn-containing greifensteinite Crystallography Reports, 2004, 49, 942-945

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