Search results

Result: there are 10644 entries in the selection

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.

Searching journal of publication like 'Acta Crystallographica Section B Structural Science'

First | Previous 1000 | of 11 | Next 1000 | Last | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
2312634	CIF Paper	C Cl2 S	P 63/m	5.961975; 5.961975; 6.304428 90; 90; 120	194.069	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312635	CIF Paper	C Cl2 S	P 63/m	5.964911; 5.964911; 6.317775 90; 90; 120	194.672	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312636	CIF Paper	C Cl2 S	P 63/m	5.967823; 5.967823; 6.331802 90; 90; 120	195.294	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312637	CIF Paper	C Cl2 S	P 63/m	5.970876; 5.970876; 6.346393 90; 90; 120	195.945	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312638	CIF Paper	C Cl2 S	P 63/m	5.973921; 5.973921; 6.361643 90; 90; 120	196.616	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312639	CIF Paper	C Cl2 S	P 63/m	5.977085; 5.977085; 6.377402 90; 90; 120	197.312	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312640	CIF Paper	C Cl2 S	P 63/m	5.98029; 5.98029; 6.393824 90; 90; 120	198.032	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312641	CIF Paper	C Cl2 S	P 63/m	5.983549; 5.983549; 6.410593 90; 90; 120	198.768	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312642	CIF Paper	C Cl2 S	P 63/m	5.986904; 5.986904; 6.42811 90; 90; 120	199.535	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312643	CIF Paper	C Cl2 S	P 63/m	5.990647; 5.990647; 6.446911 90; 90; 120	200.369	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312644	CIF Paper	C Cl2 S	P 63/m	5.994491; 5.994491; 6.46654 90; 90; 120	201.237	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312645	CIF Paper	C Cl2 S	P 63/m	5.998426; 5.998426; 6.487189 90; 90; 120	202.144	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312646	CIF Paper	C Cl2 S	P 63/m	6.0025; 6.0025; 6.50883 90; 90; 120	203.094	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312647	CIF Paper	C Cl2 S	P 63/m	6.006775; 6.006775; 6.53172 90; 90; 120	204.099	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312648	CIF Paper	C Cl2 S	P 63/m	6.011293; 6.011293; 6.55562 90; 90; 120	205.154	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic A comprehensive characterization of thiophosgene in the solid state Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312665	CIF HKL Paper	C10 H2 K2 N10 O4	C 1 2/c 1	34.434; 3.41097; 28.253 90; 126.49; 90	2667.9	Gaydamaka, A. A.; Rashchenko, S. V. Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 676-681
2312698	CIF HKL	C5 H16 N2 O4 S2	P 1 21/c 1	6.6308; 12.4415; 12.6936 90; 100.074; 90	1031.04	Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M. A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312699	CIF HKL	C10 H32 N4 O6 S2	P 1 21/n 1	15.3506; 7.363; 16.3573 90; 90.237; 90	1848.79	Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M. A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312700	CIF HKL Paper	C13 H12 F N3 O5	P -1	6.5047; 7.171; 13.9389 81.8901; 81.0672; 86.6887	635.45	Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312701	CIF HKL Paper	C11 H8 Cl F N4 O5	P 1 2/n 1	9.632; 8.42; 16.959 90; 96.781; 90	1365.8	Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312702	CIF HKL Paper	C11 H11 F2 N6 O3	P -1	7.2912; 9.3029; 10.7855 110.756; 99.6967; 95.2484	665.19	Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312703	CIF HKL Paper	C22 H22 F4 N12 O6	P -1	7.2415; 10.1036; 10.6423 111.517; 99.093; 110.41	641.36	Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312704	CIF HKL Paper	C24 H24 F3 N9 O7	P 1 21/c 1	7.252; 36.579; 10.195 90; 107.559; 90	2578	Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312705	CIF HKL Paper	C40 H32.6 Cu4 Mo4 N8 O16.3	P 1 21/c 1	9.7136; 23.759; 19.9289 90; 103.035; 90	4480.8	Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312706	CIF HKL	C10 H9 Cu2 Mo2 N2 O8.5	P -1	5.612; 5.7724; 12.4665 95.99; 93.999; 110.227	374.444	Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312707	CIF HKL	C40 H32.8 Cu4 Mo4 N8 O15.4	P b c n	11.694; 9.0285; 21.3258 90; 90; 90	2251.56	Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312708	CIF	C40 H32 Cu4 Mo8 N8 O26	P 1 21/c 1	10.86409; 11.244; 21.9304 90; 94.1363; 90	2671.95	Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312709	CIF HKL Paper	C17 H23 I N2	P 1 21 1	5.76; 7.9063; 17.6186 90; 97.412; 90	795.65	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312710	CIF HKL Paper	C18 H32 I2 N2 O3	C 1 2/c 1	24.6407; 8.3854; 11.0576 90; 92.245; 90	2282.99	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312711	CIF HKL Paper	C26 H50 I6 N2 O4 S4	P -1	9.7562; 13.3158; 18.6498 72.055; 86.424; 73.147	2205	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312712	CIF HKL Paper	C22 H42 N2 O10	P b c n	25.1134; 8.387; 11.857 90; 90; 90	2497.39	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312713	CIF HKL Paper	C22 H40 N2 O10	P b c n	24.8529; 8.3869; 11.939 90; 90; 90	2488.55	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312714	CIF HKL Paper	C108 H224 N12 O70 V12	P -1	9.0744; 17.4077; 25.1209 92.859; 94.838; 101.799	3861.35	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312715	CIF HKL Paper	C34 H48 N2 O14	P 1 21/c 1	12.9176; 8.8157; 15.5173 90; 99.836; 90	1741.1	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312716	CIF HKL Paper	C60 H80 N4 O18	P -1	10.0218; 11.3143; 13.6143 92.431; 90.386; 113.564	1413.25	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312717	CIF HKL Paper	C54 H54 N2 Na2 O18	P -4 21 c	17.1314; 17.1314; 35.164 90; 90; 90	10320.1	Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V. Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312718	CIF HKL	C15 H13.968 O8.984	P -1	3.7244; 13.05; 14.982 71.986; 83.86; 85.624	687.8	Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 766-781
2312719	CIF Paper	Cu0 H O13 P3 Pb5	P n m a	13.5137; 10.2904; 9.3838 90; 90; 90	1304.92	Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 746-750
2312726	CIF HKL Paper	Ni3 O8 V2	C m c e	5.93384; 11.38318; 8.23818 90; 90; 90	556.456	Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312727	CIF HKL	Ni3 O8 V2	C m c e	5.9324; 11.38492; 8.23893 90; 90; 90	556.457	Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312728	CIF HKL	Ni3 O8 V2	C m c e	6.02077; 11.48838; 8.32611 90; 90; 90	575.908	Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312737	CIF HKL	Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55	P n a 21	12.9901; 16.2647; 5.2158 90; 90; 90	1101.99	Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V. A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
5000003	CIF	C4 H10 N2 O4	P 21 21 21	5.593; 9.827; 11.808 90; 90; 90	649	Verbist, J. J.; Lehmann, M. S.; Koetzle, T. F.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. VI. The crystal and molecular structure of the amino acid L-asparagine monohydrate Acta Crystallographica Section B, 1972, 28, 3006-3013
5000004	CIF	C4 H7 N O4	P 1 21 1	7.617; 6.982; 5.142 90; 99.84; 90	269.44	Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F. The crystal and molecular structure of L-aspartic acid Acta Crystallographica Section B, 1968, 24, 1349-1354
5000006	CIF	C5 H10 N2 O3	P 21 21 21	16.02; 7.762; 5.119 90; 90; 90	636.53	Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine Acta Crystallographica Section B, 1973, 29, 2571-2575
5000007	CIF Paper	C5 H10 Cl N O4	P 21 21 21	5.151; 11.789; 13.347 90; 90; 90	810.5	Sequeira, A.; Rajagopal, H.; Chidambaram, R. A neutron diffraction study of the structure of L-glutamic acid.HCl Acta Crystallographica Section B, 1972, 28, 2514-2519
5000009	CIF	C6 H9 N3 O2	P 1 21 1	5.172; 7.384; 9.474 90; 97.162; 90	358.99	Madden, J. J.; McGandy, E. L.; Seeman, N. C.; Harding, M. M.; Hoy, A. The crystal structure of the monoclinic form of L-histidine Acta Crystallographica Section B, 1972, 28, 2382-2389
5000011	CIF	C6 H19 Cl N2 O4	P 1 21 1	7.492; 13.32; 5.879 90; 97.79; 90	581.27	Koetzle, T. F.; Lehmann, M. S.; Verbist, J. J.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. VII. The crystal and molecular structure of the amino acid L-lysine monohydrochloride dihydrate Acta Crystallographica Section B, 1972, 28, 3207-3214
5000013	CIF	C9 H12 Cl N O2	P 21 21 21	27.763; 7.059; 5.38 90; 90; 90	1054.37	Al-Karaghouli, A. R.; Koetzle, T. F. Neutron diffraction study of L-phenylalanine hydrochloride Acta Crystallographica Section B, 1975, 31, 2461-2465
5000015	CIF	C3 H7 N O3	P 21 21 21	8.599; 9.348; 5.618 90; 90; 90	451.59	Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E. Refinements of the crystal structures of DL-serine and anhydrous L-serine Acta Crystallographica Section B, 1974, 30, 2573-2578
5000018	CIF	C10 H13 N5 O4	P 1 21 1	4.825; 10.282; 11.823 90; 99.3; 90	578.84	Lai, T. F.; Marsh, R. E. The crystal structure of adenosine Acta Crystallographica Section B, 1972, 28, 1982-1989
5000020	CIF	C10 H17 N5 O7	P 1 21 1	17.518; 11.502; 6.658 90; 98.17; 90	1327.92	Thewalt, U.; Bugg, C. E.; Marsh, R. E. The crystal structure of guanosine dihydrate and inosine dihydrate Acta Crystallographica Section B, 1970, 26, 1089-1101
5000021	CIF	C10 H14 N2 O5	P 21 21 21	4.86; 13.91; 16.32 90; 90; 90	1103.27	Young, D. W.; Tollin, P.; Wilson, H. R. The crystal and molecular structure of thymidine Acta Crystallographica Section B, 1969, 25, 1423-1432
5000022	CIF	C12 H18 N2 O10	P 1 21 1	11.159; 14.461; 4.821 90; 101.15; 90	763.28	Morikawa, K.; Torii, K.; Iitaka, Y.; Tsuboi, M. Uridine-5-oxyacetic acid methyl ester monohydrate Acta Crystallographica Section B, 1975, 31, 1004-1007
5000023	CIF	C12 H8 Cl2	P 1 21/n 1	15.78; 13.74; 9.682 90; 96.23; 90	2086.83	Brock, C. P.; Kuo, M. S.; Levy, H. A. 4,4'-Dichlorobiphenyl: crystal packing in para-substituted biphenyls Acta Crystallographica Section B, 1978, 34, 981-985
5000024	CIF	C12 Cl10	P b c n	13.372; 10.497; 11.992 90; 90; 90	1683.27	Pedersen, B. Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure Acta Crystallographica Section B, 1975, 31, 2931-2933
5000031	CIF	C18 H25 O2.499	P 21 21 2	12.055; 19.28; 6.63 90; 90; 90	1540.95	Busetta, B.; Hospital, M. Structure cristalline et moleculaire de l'oestradiol hemihydrate Acta Crystallographica Section B, 1972, 28, 560-567
5000032	CIF	C18 H22 O2	P 21 21 21	10.043; 18.424; 7.787 90; 90; 90	1440.85	Busetta, B.; Courseille, C.; Hospital, M. Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone Acta Crystallographica Section B, 1973, 29, 298-313
5000038	CIF	O2 Zr	F m -3 m	5.1291; 5.1291; 5.1291 90; 90; 90	134.9	Martin, U; Boysen, H; Frey, F Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K Acta Crystallographica Section B, 1993, 49, 403-413
5000063	CIF	C6 H8 O7	P 1 21/a 1	12.817; 5.628; 11.465 90; 111.22; 90	770.94	Glusker, J. P.; Minkin, J. A.; Patterson, A. L. X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid Acta Crystallographica Section B, 1969, 25, 1066-1072
5000065	CIF	C6 H12 O6	P 21 21 21	8.088; 9.204; 10.034 90; 90; 90	746.95	Kanters, J. A.; Roelofsen, G.; Alblas, B. P.; Meinders, I. The crystal and molecular structure of β-d-fructose, with emphasis on anomeric effect and hydrogen-bond interactions Acta Crystallographica Section B, 1977, 33, 665-672
5000078	CIF	C4 H3 F N2 O2	P -1	9.22; 12.66; 12.67 89.7; 43.9; 98.6	1000.08	Fallon, III, L. The crystal and molecular structure of 5-fluorouracil Acta Crystallographica Section B, 1973, 29, 2549-2556
5000084	CIF	C22 H29 F O4	P 21 21 21	11.319; 22.803; 7.381 90; 90; 90	1905.09	Dupont, L.; Dideberg, O.; Campsteyn, H. Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F Acta Crystallographica Section B, 1974, 30, 514-516
5000102	CIF	C17 H19 N O3	P 1 21/n 1	8.743; 13.364; 13.147 90; 108.66; 90	1455.37	Grynpas, M.; Lindley, P. F. The crystal and molecular structure of 1-piperoylpiperidine Acta Crystallographica Section B, 1975, 31, 2663-2667
5000111	CIF	C27 H46 O	P 1	14.172; 34.209; 10.481 94.64; 90.67; 96.32	5032.77	Shieh, H.-S.; Hoard, L. G.; Nordman, C. E. The structure of cholesterol Acta Crystallographica Section B, 1981, 37, 1538-1543
5000131	CIF	C5 H6 N4 O S	C 1 2/c 1	15.294; 7.732; 12.379 90; 101.64; 90	1433.75	Sletten, E.; Sletten, J.; Jensen, L. H. The crystal and molecular structure of 6-mercaptopurine monohydrate Acta Crystallographica Section B, 1969, 25, 1330-1338
5000140	CIF	C6 H2 Cl N3 O6	P 1 21/a 1	11.02; 6.795; 14.964 90; 124.15; 90	927.31	Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M. The crystal structure of picryl chloride Acta Crystallographica Section B, 1971, 27, 786-793
5000142	CIF	C6 H4 N2 O5	P 21 21 21	6.106; 23.24; 5.168 90; 90; 90	733.36	Kagawa, T.; Kawai, R.; Kashino, S.; Haisa, M. The crystal and molecular structure of 2,4-dinitrophenol Acta Crystallographica Section B, 1976, 32, 3171-3175
5000144	CIF	C H4 N4 O2	F d d 2	17.6152; 24.8502; 3.588 90; 90; 90	1570.62	Choi, C. S. Refinement of 2-nitroguanidine by neutron powder diffraction Acta Crystallographica Section B, 1981, 37, 1955-1957
5000148	CIF	C3 H6 N6 O6	P b c a	13.182; 11.574; 10.709 90; 90; 90	1633.86	Choi, C. S.; Prince, E. The crystal structure of cyclotrimethylenetrinitramine Acta Crystallographica Section B, 1972, 28, 2857-2862
5000150	CIF	C6 H3 N3 O6	P b c a	9.78; 26.94; 12.82 90; 90; 90	3377.73	Choi, C. S.; Abel, J. E. The crystal structure of 1,3,5-trinitrobenzene by neutron diffraction Acta Crystallographica Section B, 1972, 28, 193-201
5000151	CIF	C6 H4.339 N3 O8.669	P -3 c 1	12.6077; 12.6077; 10.1147 90; 90; 120	1392.37	Pierce-Butler, M. Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate Acta Crystallographica Section B, 1982, 38, 3097-3100
5000152	CIF	C H5 N3 O4	P 1 21/c 1	9.543; 8.201; 7.498 90; 124.25; 90	485.05	Worsham, Jr, J. E.; Busing, W. R. The crystal structure of uronium nitrate (urea nitrate) by neutron diffraction Acta Crystallographica Section B, 1969, 25, 572-578
5000153	CIF	C H6 N4 S	P 1 21/c 1	4.74; 15.53; 7.19 90; 122.4; 90	446.88	Braibanti, A.; Tiripicchio, A.; Camellini, M. T. Crystal and molecular structure of thiocarbohydrazide Acta Crystallographica Section B, 1969, 25, 2286-2290
5000154	CIF	C5 H8 N4 O12	P c n b	13.29; 13.49; 6.83 90; 90; 90	1224.5	Cady, H. H.; Larson, A. C. Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data Acta Crystallographica Section B, 1975, 31, 1864-1869
5000158	CIF	C12 H22 O4	P 1 21/c 1	13.105; 4.921; 10.183 90; 97.4; 90	651.23	Vanier, M.; Brisse, F. Nouvel affinement de la structure de l'acide dodécanedioïque Acta Crystallographica Section B, 1982, 38, 643-645
5000165	CIF	C15 H13 N O	C 1 c 1	16.77; 4.83; 15.85 90; 115.4; 90	1159.73	Haisa, M.; Kashino, S.; Ueno, T.; Shinozaki, N.; Matsuzaki, Y. The structures of N-aromatic amides: p-acetanisidide, N-2-naphthylacetamide and N-2-fluorenylacetamide Acta Crystallographica Section B, 1980, 36, 2306-2311
5000166	CIF	C8 H8 O	P 1 21/n 1	10.256; 8.678; 8.558 90; 121; 90	652.88	Tanimoto, Y.; Kobayashi, H.; Nagakura, S.; Saito, Y. The crystal structure of acetophenone at 154 K Acta Crystallographica Section B, 1973, 29, 1822-1826
5000168	CIF	C14 H10	P 1 21/a 1	8.5526; 6.0158; 11.172 90; 124.596; 90	473.168	Brock, C. P.; Dunitz, J. D. Temperature dependence of thermal motion in crystalline anthracene Acta Crystallographica Section B, 1990, 46, 795-806
5000169	CIF	C6 H11 N O	C 1 2/c 1	19.28; 7.78; 9.57 90; 112.39; 90	1327.27	Winkler, F. K.; Dunitz, J. D. Medium-ring compounds. XIX. Caprolactam: structure refinement Acta Crystallographica Section B, 1975, 31, 268-269
5000173	CIF	C7 H8 O	P 1 21/c 1	5.7; 11.71; 18.13 90; 99.07; 90	1194.99	Bois, C. Structure du p-crésol à basse témperature Acta Crystallographica Section B, 1970, 26, 2086-2092
5000181	CIF	C14 H10	P 1 21 1	8.441; 6.14; 9.438 90; 97.96; 90	484.44	Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Orientational disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Acta Crystallographica Section B, 1990, 46, 830-832
5000183	CIF	C H4 N2 S	P b n m	5.488; 7.663; 8.564 90; 90; 90	360.16	Takahashi, I.; Onodera, A.; Shiozaki, Y. Structural changes of thiourea in connection with its phase transitions: reappraisal of rigidity and libration of the molecule Acta Crystallographica Section B, 1990, 46, 661-664
5000192	CIF	C11 H23 Br O	P 1 21 1	47.1; 5.26; 31.14 90; 132.9; 90	5651.43	Rosen, L. S.; Hybl, A. The crystal structure of 11-bromoundecanol Acta Crystallographica Section B, 1972, 28, 610-617
5910043	CIF Paper	C4 H7 N3 O2	P 1 21/c 1	7.728; 9.817; 7.52 90; 100.5; 90	561	M. Eisenstein Static deformation densities for cytosine and adenine Acta Crystallographica Section B, 1988, 44, 412-426
5910086	CIF	K2 O13 W4	P -3	15.566; 15.566; 3.746 90; 90; 120	786.1	Okada, K.; Marumo, F.; Iwai, S. I. The crystal structure of K2 W4 O13 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3193-3195
5910115	CIF Paper	C2 H6 O	P 1 c 1	5.377; 6.882; 8.255 90; 102.2; 90	298.6	P.-G. Jönsson Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem., 1976, 32, 232-235
6000092	CIF	Co O6 Pb2 W	I2/m	7.9602; 5.6779; 5.6967 90; 90.047; 90	257.47	Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B, 2000, 56, 570-576
6000193	CIF Paper	C13 H36 Si4	F m -3 m	12.8902; 12.8902; 12.8902 90; 90; 90	2141.8	Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029
6000194	CIF Paper	C12 H36 Si5	F m -3 m	13.5218; 13.5218; 13.5218 90; 90; 90	2472.31	Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029
6000195	CIF Paper	C12 H36 Si5	P 21 3	13.17158; 13.17158; 13.17158 90; 90; 90	2285.14	Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029
6000196	CIF Paper	C13 H36 Si4	P 21 3	12.609; 12.609; 12.609 90; 90; 90	2004.7	Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029
6000197	CIF Paper	C13 H36 Si4	P a -3	12.7876; 12.7876; 12.7876 90; 90; 90	2091.06	Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029
6000198	CIF Paper	C15 H25 N O2 S	P 1 21/c 1	16.96; 8.1382; 11.781 90; 104.777; 90	1572.28	Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher 2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors Acta Crystallographica Section B, 1999, 55, 1068-1074
6000447	CIF	C8 H24 N2 O4 S	F	11.026; 11.026; 11.026 90; 90; 90	1340.46	Malchus, M.; Jansen, M. Structural investigations of the phase transitions of tetramethylammonium sulfate Acta Crystallographica B, 1998, 54, 494-502
6000571	CIF	Cs D O4 S	P 1 21/c 1	7.7801; 8.1392; 7.7219 90; 110.872; 90	456.89	Belushkin, A. V.; David, W. I. F.; Ibberson, R. M.; Shuvalov, L. A. High-resolution neutron powder diffraction studies of the structure of CsDSO4 Acta Crystallographica B, 1991, 47, 161-166
6000576	CIF	C D6 I N	P b m a	7.1743; 7.0967; 8.8323 90; 90; 90	449.69	Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J. Neutron-diffraction and calorimetric studies of methylammonium iodide Acta Crystallographica B, 1992, 48, 329-336
9007500	CIF	Ag3 As S3	C 1 2/c 1	12; 6.26; 17.08 90; 110; 90	1205.67	Engel, P.; Nowacki, W. Die kristallstruktur von Ag3AsS3 Acta Crystallographica, Section B, 1968, 24, 77-81
9007501	CIF	Cu H6 O7 S	C 1 c 1	5.592; 13.029; 7.341 90; 97.05; 90	530.808	Zahrobsky, R. F.; Baur, W. H. On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic Acta Crystallographica, Section B, 1968, 24, 508-513
9007502	CIF	Fe1.08 H11.25 Mg0.2 Mn0.25 O16 S2 Zn0.47	P 1 21/n 1	10.526; 17.872; 7.136 90; 100.13; 90	1321.5	Susse P Die kristallstruktur des botryogens Locality: Rammelsberg mine near Goslar, Germany Acta Crystallographica, Section B, 1968, 24, 760-767
9007503	CIF	Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095	P n m m :2	8.7126; 5.8108; 18.5214 90; 90; 90	937.686	Donnay G; Allmann R Si3O10 groups in the crystal structure of ardennite Acta Crystallographica, Section B, 1968, 24, 845-855
9007504	CIF	As2 H8 O9	P 1 21/c 1	7.6; 13.29; 8.24 90; 109.6; 90	784.049	Worzala, H. Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O Acta Crystallographica, Section B, 1968, 24, 987-991
9007505	CIF	Ca Cu2.64 H12 O17 S2 Zn1.36	C 1 2/c 1	22.186; 6.25; 21.853 90; 113.36; 90	2781.81	Sabelli, C.; Zanazzi, P. F. The crystal structure of serpierite Acta Crystallographica, Section B, 1968, 24, 1214-1221
9007506	CIF	Al3 B Fe0.1 Mg0.9 O9 Si	P b n m	10.335; 10.978; 5.76 90; 90; 90	653.516	Stephenson, D. A.; Moore, P. B. The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9 Acta Crystallographica, Section B, 1968, 24, 1518-1522
9007507	CIF	B F4 Na	C m c m	6.8368; 6.2619; 6.7916 90; 90; 90	290.758	Brunton, G. Refinement of the structure of NaBF4 Acta Crystallographica, Section B, 1968, 24, 1703-1704
9007508	CIF	B F4 K	P n m a	8.6588; 5.48; 7.0299 90; 90; 90	333.57	Brunton, G. The crystal structure of KBF4 Acta Crystallographica, Section B, 1969, 25, 2161-2162
9007509	CIF	Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79	A 1 2/m 1	8.83; 5.9; 19.17 90; 97.12; 90	990.998	Galli, E.; Alberti, A. On the crystal structure of pumpellyite Acta Crystallographica, Section B, 1969, 25, 2276-2281
9007510	CIF	Ag5 S4 Sb	C m c 21	7.873; 12.467; 8.583 90; 90; 90	842.445	Ribar, B.; Nowacki, W. Die kristallstruktur von stephanit, [SbS3|S|Ag5] Acta Crystallographica, Section B, 1970, 26, 201-207
9007511	CIF	As2 Ca2 H2 O8	P -1	7.0591; 6.8906; 7.2006 97.43; 103.55; 87.75	337.625	Ferraris, G.; Chiari, G. The crystal structure of CaHAsO4 (weilite) Acta Crystallographica, Section B, 1970, 26, 403-409
9007512	CIF	Ca2 H4 Mn O10 P2	P -1	5.79; 6.57; 5.51 102.27; 108.67; 90.3	193.428	Fanfani, L.; Nunzi, A.; Zanazzi, P. F. The crystal structure of fairfieldite Acta Crystallographica, Section B, 1970, 26, 640-645
9007513	CIF	Al H3 O3	P -1	5.114; 5.082; 5.127 70.27; 74; 58.47	106.089	Bosmans, H. J. Unit cell and crystal structure of nordstrandite, Al(OH)3 Acta Crystallographica, Section B, 1970, 26, 649-652
9007514	CIF	Cu7 S4	P n m a	7.89; 7.84; 11.01 90; 90; 90	681.052	Koto, K.; Morimoto, N. The crystal structure of anilite Acta Crystallographica, Section B, 1970, 26, 915-924
9007515	CIF	As H15 Na2 O11	P 1 21/n 1	9.401; 11.025; 10.674 90; 95.5; 90	1101.22	Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596
9007516	CIF	H15 Na2 O11 P	P 1 21/n 1	9.258; 11.007; 10.437 90; 95.61; 90	1058.47	Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596
9007517	CIF	As Cu3 S4	P m n 21	7.407; 6.436; 6.154 90; 90; 90	293.37	Adiwidjaja, G.; Lohn, J. Strukturverfeinerung von enargit, Cu3AsS4 Acta Crystallographica, Section B, 1970, 26, 1878-1879
9007518	CIF	As Ca H5 O6	I 1 a 1	5.9745; 15.434; 6.2797 90; 114.83; 90	525.525	Ferraris, G.; Jones, D. W.; Yerkess, J. Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction Acta Crystallographica, Section B, 1971, 27, 349-354
9007519	CIF	C11 H10 O2 S	P 21 21 21	18.331; 9.012; 5.949 90; 90; 90	982.769	Christensen, A. T.; Thom, E. The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione Acta Crystallographica, Section B, 1971, 27, 581-586
9007520	CIF	Mn2 O3	P c a b	9.4157; 9.4233; 9.4047 90; 90; 90	834.45	Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Acta Crystallographica, Section B, 1971, 27, 821-828
9007521	CIF	Fe0.034 Mn1.966 O3	I a -3	9.4146; 9.4146; 9.4146 90; 90; 90	834.46	Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (MnO.983Fe0.017)203 Acta Crystallographica, Section B, 1971, 27, 821-828
9007522	CIF	Fe1.26 Mn0.74 O3	I a -3	9.4126; 9.4126; 9.4126 90; 90; 90	833.928	Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (Mn0.37Fe0.63)2O3 Acta Crystallographica, Section B, 1971, 27, 821-828
9007523	CIF	C2 H5 N O	R 3 c :H	11.526; 11.526; 13.589 90; 90; 120	1563.42	Denne, W. A.; Small, R. W. H. A refinement of the structure of rhombohedral acetamide Acta Crystallographica, Section B, 1971, 27, 1094-1098
9007524	CIF	Bi Cu Pb S3	P n m a	11.608; 4.0279; 11.275 90; 90; 90	527.172	Kohatsu, I.; Wuensch, B. J. The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso Acta Crystallographica, Section B, 1971, 27, 1245-1252
9007525	CIF	Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069	P 1 21/c 1	7.437; 5.664; 18.843 90; 101.38; 90	778.122	Galli, E.; Alberti, A. The crystal structure of rinkite Acta Crystallographica, Section B, 1971, 27, 1277-1284
9007526	CIF	O4 Si Zn2	I -4 2 d	7.0069; 7.0069; 6.4637 90; 90; 90	317.346	Marumo, F.; Syono, Y. The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite Acta Crystallographica, Section B, 1971, 27, 1868-1870
9007527	CIF	H15.479 Na6.335 O32.335 P2	P -3 c 1	11.89; 11.89; 12.671 90; 90; 120	1551.33	Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132
9007528	CIF	H15.454 Na6.31 O32.31 V2	P -3 c 1	12.038; 12.038; 12.833 90; 90; 120	1610.53	Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132
9007529	CIF	As2 H15.404 Na6.26 O32.26	P -3 c 1	12.017; 12.017; 12.783 90; 90; 120	1598.66	Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132
9007530	CIF	O2 Si	P 42/m n m	4.179; 4.179; 2.6649 90; 90; 90	46.54	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007531	CIF	O2 Ti	P 42/m n m	4.5941; 4.5941; 2.9589 90; 90; 90	62.45	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007532	CIF	Ge O2	P 42/m n m	4.3975; 4.3975; 2.8625 90; 90; 90	55.355	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007533	CIF	O2 Sn	P 42/m n m	4.738; 4.738; 3.1865 90; 90; 90	71.533	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007534	CIF	F2 Mg	P 42/m n m	4.6213; 4.6213; 3.0159 90; 90; 90	64.409	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007535	CIF	F2 Mn	P 42/m n m	4.8738; 4.8738; 3.3107 90; 90; 90	78.642	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007536	CIF	F2 Fe	P 42/m n m	4.6945; 4.6945; 3.3097 90; 90; 90	72.94	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007537	CIF	Co F2	P 42/m n m	4.6954; 4.6954; 3.1774 90; 90; 90	70.051	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007538	CIF	F2 Ni	P 42/m n m	4.6498; 4.6498; 3.0838 90; 90; 90	66.674	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007539	CIF	F2 Zn	P 42/m n m	4.7048; 4.7048; 3.1338 90; 90; 90	69.367	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007540	CIF	Cr O2	P 42/m n m	4.421; 4.421; 2.917 90; 90; 90	57.013	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Cloud et al (1962) Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007541	CIF	O2 Ru	P 42/m n m	4.4919; 4.4919; 3.1066 90; 90; 90	62.682	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970) Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007542	CIF	O2 Os	P 42/m n m	4.5003; 4.5003; 3.1839 90; 90; 90	64.483	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970) Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007543	CIF	O2 Pb	P 42/m n m	4.9568; 4.9568; 3.3866 90; 90; 90	83.208	Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Leciejewicz and Padlo (1962) Acta Crystallographica, Section B, 1971, 27, 2133-2139
9007544	CIF	As3 Co0.87 Fe0.11 Ni0.13	I m -3	8.195; 8.195; 8.195 90; 90; 90	550.36	Mandel, N.; Donohue, J. The refinement of the crystal structure of skutterudite, CoAs3 Acta Crystallographica, Section B, 1971, 27, 2288-2289
9007545	CIF	As Ca H3 O5	P c n b	6.904; 16.161; 7.935 90; 90; 90	885.352	Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) Sample: neutron refinement Locality: synthetic Acta Crystallographica, Section B, 1972, 28, 209-214
9007546	CIF	As Ca H2 O5	P c n b	6.904; 16.161; 7.935 90; 90; 90	885.352	Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) Sample: X-ray refinement Locality: synthetic Acta Crystallographica, Section B, 1972, 28, 209-214
9007547	CIF	Cr H4 N Na O6	P 21 21 21	8.413; 13.039; 6.219 90; 90; 90	682.206	Khan, A. A.; Baur, W. H. Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion Acta Crystallographica, Section B, 1972, 28, 683-693
9007548	CIF	H10 Mg N2 O12 P2	P b c a	11.49; 23.66; 8.62 90; 90; 90	2343.38	Khan, A. A.; Baur, W. H. Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion Acta Crystallographica, Section B, 1972, 28, 683-693
9007549	CIF	C H6 Mg O6	P 1 21/n 1	7.7053; 5.3673; 12.1212 90; 90.451; 90	501.277	Stephan, G. W.; MacGillavry, C. H. The crystal structure of nesquehonite, MgCO3*3H2O Acta Crystallographica, Section B, 1972, 28, 1031-1033
9007550	CIF	Ca Cu4 H12 O17 S2	P 1 21/c 1	20.87; 6.135; 22.191 90; 102.73; 90	2771.44	Sabelli, C.; Zanazzi, P. F. The crystal structure of devillite Note: z-coordinate of Cu7 altered to match reported bond lengths Acta Crystallographica, Section B, 1972, 28, 1182-1189
9007551	CIF	Ni5.629 S4.86	B m m b	3.274; 16.157; 11.359 90; 90; 90	600.869	Fleet, M. E. The crystal structure of alpha-Ni7S6 Acta Crystallographica, Section B, 1972, 28, 1237-1241
9007552	CIF	H10 Mg O9 S	P -1	6.314; 10.505; 6.03 81.12; 109.82; 105.08	362.347	Baur, W. H.; Rolin, J. L. Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate Locality: synthetic Acta Crystallographica, Section B, 1972, 28, 1448-1455
9007553	CIF	F Mn2 O4 P	C 1 2/c 1	13.41; 6.5096; 10.094 90; 119.99; 90	763.169	Rea, J. R.; Kostiner, E. The crystal structure of manganese fluorophosphate, Mn2(PO4)F Acta Crystallographica, Section B, 1972, 28, 2525-2529
9007554	CIF	N Na O3	R -3 c :H	5.07; 5.07; 16.82 90; 90; 120	374.432	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 20 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007555	CIF	N Na O3	R -3 c :H	5.074; 5.074; 16.97 90; 90; 120	378.367	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 100 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007556	CIF	N Na O3	R -3 c :H	5.077; 5.077; 17.13 90; 90; 120	382.386	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 180 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007557	CIF	N Na O3	R -3 c :H	5.079; 5.079; 17.23 90; 90; 120	384.922	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 230 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007558	CIF	N Na O3	R -3 c :H	5.081; 5.081; 17.27 90; 90; 120	386.119	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 250 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007559	CIF	N Na O3	R -3 c :H	5.082; 5.082; 17.31 90; 90; 120	387.166	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 268 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007560	CIF	N Na O3	R -3 m :H	5.084; 5.084; 8.175 90; 90; 120	182.991	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007561	CIF	N Na O3	R -3 c :H	5.07; 5.07; 16.82 90; 90; 120	374.432	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 20 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007562	CIF	N Na O3	R -3 c :H	5.074; 5.074; 16.97 90; 90; 120	378.367	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 100 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007563	CIF	N Na O3	R -3 c :H	5.077; 5.077; 17.13 90; 90; 120	382.386	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 180 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007564	CIF	N Na O3	R -3 c :H	5.079; 5.079; 17.23 90; 90; 120	384.922	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 230 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007565	CIF	N Na O3	R -3 c :H	5.081; 5.081; 17.27 90; 90; 120	386.119	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 250 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007566	CIF	N Na O3	R -3 c :H	5.082; 5.082; 17.31 90; 90; 120	387.166	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 268 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007567	CIF	N Na O3	R -3 m :H	5.084; 5.084; 8.175 90; 90; 120	182.991	Paul, G. L.; Pryor, A. W. The study of sodium nitrate by neutron diffraction Sample: T = 290 C, refined incorporating curvilinear motion of O atom Acta Crystallographica, Section B, 1972, 28, 2700-2702
9007568	CIF	Al0.7 Ca12.098 F8.4 H13 Mg0.1 Na0.102 O35.6 Si10	R -3 :H	9.36; 9.36; 36.48 90; 90; 120	2767.82	Merlino, S. The crystal structure of zeophyllite Acta Crystallographica, Section B, 1972, 28, 2726-2732
9007569	CIF	K2 O4 S	P n a m	7.476; 10.071; 5.763 90; 90; 90	433.901	McGinnety, J. A. Redetermination of the structures of potassium sulphate and potassium chromate: the effect of electrostatic crystal forces upon observed bond length Acta Crystallographica, Section B, 1972, 28, 2845-2852
9007570	CIF	Cr K2 O4	P n a m	7.663; 10.388; 5.922 90; 90; 90	471.41	McGinnety, J. A. Redetermination of the structures of potassium sulphate and potassium chromate: the effect of electrostatic crystal forces upon observed bond length Acta Crystallographica, Section B, 1972, 28, 2845-2852
9007571	CIF	As H15 Mg O11	C 1 2/c 1	6.6918; 25.744; 11.538 90; 95.15; 90	1979.67	Ferraris, G.; Franchini-Angela M Hydrogen bonding in the crystalline state. Crystal structure of MgHAsO4*7H2O roesslerite Note: B(1,3) of O2 was altered to reproduce axial lengths Acta Crystallographica, Section B, 1973, 29, 286-292
9007572	CIF	Cu Fe S2	I -4 2 d	5.289; 5.289; 10.423 90; 90; 90	291.568	Hall, S. R.; Stewart, J. M. The crystal structure refinement of chalcopyrite, CuFeS2 Acta Crystallographica, Section B, 1973, 29, 579-585
9007573	CIF	As H16 Mg N O10	P m n 21	7.054; 6.205; 11.368 90; 90; 90	497.578	Ferraris, G.; Franchini-Angela M Hydrogen bonding in the crystalline state. Refinement of the crystal structure of MgNH4AsO4*6(H2O), arsenstruvite Acta Crystallographica, Section B, 1973, 29, 859-863
9007574	CIF	Ni0.5 Pd Pt2.5 S4	P 42/m	6.38; 6.38; 6.57 90; 90; 90	267.428	Childs, J. D.; Hall, S. R. The crystal structure of braggite, (Pt,Pd,Ni)S Acta Crystallographica, Section B, 1973, 29, 1446-1451
9007575	CIF	C H6 Cu2 O21 Pb5 S3	P m n 21	20.089; 7.146; 6.56 90; 90; 90	941.727	Giacovazzo, C.; Menchetti, S.; Scordari, F. The crystal structure of caledonite, Cu2Pb5(SO4)3CO3(OH)6 Acta Crystallographica, Section B, 1973, 29, 1986-1990
9007576	CIF	Ba6 Cl4.6 Fe0.15 H0.5 Mn2.082 O19 Si6 Ti0.768	P 6/m m m	16.398; 16.398; 7.2 90; 90; 120	1676.66	Kampf, A. R.; Khan, A. A.; Baur, W. H. Barium chloride silicate with an open framework: verplanckite Acta Crystallographica, Section B, 1973, 29, 2019-2021
9007577	CIF	Al H4 O6 P	P 1 21/n 1	5.178; 9.514; 8.454 90; 90.35; 90	416.466	Kniep, R.; Mootz, D. Metavariscite - A redetermination of its crystal structure Acta Crystallographica, Section B, 1973, 29, 2292-2294
9007578	CIF	Bi Cu3 S3	P 21 21 21	7.723; 10.395; 6.716 90; 90; 90	539.164	Kocman, V.; Nuffield, E. W. The crystal structure of wittichenite, Cu3BiS3 Acta Crystallographica, Section B, 1973, 29, 2528-2535
9007579	CIF	As S3 Sb	P 1 21/a 1	11.8568; 9.0152; 10.1938 90; 116.365; 90	976.29	Guillermo, T. R.; Wuensch, B. J. The crystal structure of getchellite, AsSbS3 Acta Crystallographica, Section B, 1973, 29, 2536-2541
9007580	CIF	H6 N O4 P	I -4 2 d	7.4997; 7.4997; 7.5494 90; 90; 90	424.62	Khan, A. A.; Baur, W. H. Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADP Acta Crystallographica, Section B, 1973, 29, 2721-2726
9007581	CIF	As H6 N O4	I -4 2 d	7.6998; 7.6998; 7.7158 90; 90; 90	457.446	Khan, A. A.; Baur, W. H. Refinement of the crystal structures of ammonium dihydrogen phosphate and ammonium dihydrogen arsenate Note: known as ADA Acta Crystallographica, Section B, 1973, 29, 2721-2726
9007582	CIF	H2 K O4 P	P 21 21 21	7.434; 7.434; 6.945 90; 90; 90	383.811	Baur, W. H. Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite Acta Crystallographica, Section B, 1973, 29, 2726-2731
9007583	CIF	H6 N O4 P	P 21 21 21	7.4997; 7.4997; 7.5493 90; 90; 90	424.614	Baur, W. H. Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: polymorph of biphosphammite Acta Crystallographica, Section B, 1973, 29, 2726-2731
9007584	CIF	H12 O16 S2 V2	P 1 21/c 1	7.411; 7.439; 12.272 90; 108.9; 90	640.084	Theobald, F.; Galy, J. Structure cristalline de VOSO4((H2O)3 Locality: synthetic Note: polymorph of bobjonesite Acta Crystallographica, Section B, 1973, 29, 2732-2736
9007585	CIF	Cu2 O7 V2	F d d 2	20.68; 8.411; 6.448 90; 90; 90	1121.56	Mercurio-Lavaud D; Frit, B. Structure cristalline de la variete basse temperature du pyrovanadate de cuivre: Cu2V2O7 alpha Acta Crystallographica, Section B, 1973, 29, 2737-2741
9007586	CIF	As2 Fe H5 O10 Pb Zn	C 1 2/m 1	9.124; 6.329; 7.577 90; 115.28; 90	395.637	Tillmanns, E.; Gebert, W. The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa Locality: Tsumeb mine, Namibia, Africa Acta Crystallographica, Section B, 1973, 29, 2789-2794
9007587	CIF	O3 Sb2	P c c n	4.911; 12.464; 5.412 90; 90; 90	331.272	Svensson, C. The crystal structure of orthorhombic antimony trioxide, Sb2O3 Acta Crystallographica, Section B, 1974, 30, 458-461
9007588	CIF	Cu3 H4 I6 O20	P -1	7.256; 7.9503; 7.8559 105.096; 92.945; 96.952	432.702	Ghose, S.; Wan, C. Structural chemistry of copper and zinc minerals. II. Stereochemistry of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O Acta Crystallographica, Section B, 1974, 30, 965-974
9007589	CIF	Al9 Ba3.5 Ca5.5 H2 K0.5 Na0.5 O55 S3 Si11	P -6 2 m	13.511; 13.511; 7.462 90; 90; 120	1179.67	Merlino, S. The crystal structure of wenkite Acta Crystallographica, Section B, 1974, 30, 1262-1266
9007590	CIF	Sb2 Te3	R -3 m :H	4.264; 4.264; 30.458 90; 90; 120	479.586	Anderson, T. L.; Krause, H. B. Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C Acta Crystallographica, Section B, 1974, 30, 1307-1310
9007591	CIF	Sb2 Se Te2	R -3 m :H	4.188; 4.188; 29.937 90; 90; 120	454.729	Anderson, T. L.; Krause, H. B. Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Sample: T = 29 C Acta Crystallographica, Section B, 1974, 30, 1307-1310
9007592	CIF	Al3 H4 Na O12 P2	P 1 21/n 1	11.233; 10.142; 7.097 90; 97.37; 90	801.847	Gatehouse, B. M.; Miskin, B. K. The crystal structure of brazilianite, NaAl3(PO4)2(OH)4 Acta Crystallographica, Section B, 1974, 30, 1311-1317
9007593	CIF	S8	P 1 2/c 1	8.442; 13.025; 9.356 90; 124.98; 90	842.915	Watanabe, Y. The crystal structure of monoclinic gamma-sulfur Acta Crystallographica, Section B, 1974, 30, 1396-1401
9007594	CIF	As5 Ca6.25 H20 O30	P 1 21/n 1	17.63; 6.734; 23.47 90; 90.6; 90	2786.22	Catti, M.; Ferraris, G. Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite) Acta Crystallographica, Section B, 1974, 30, 1789-1794
9007595	CIF	O4 Sn W	P n n a	5.627; 11.6486; 4.9973 90; 90; 90	327.556	Jeitschko, W.; Sleight, A. W. Alpha stannous tungstate: Properties, crystal structure and relationship to ferroelectric SbTaO4 type compounds Acta Crystallographica, Section B, 1974, 30, 2088-2094
9007596	CIF	B3 H15 Mg O13	P -1	8.3479; 10.6068; 6.4447 98.846; 108.981; 105.581	501.239	Corazza, E. The crystal structure of kurnakovite: a refinement Acta Crystallographica, Section B, 1974, 30, 2194-2199
9007597	CIF	F H28 Na7 O27 P2	F d -3 c :2	27.755; 27.755; 27.755 90; 90; 90	21380.8	Baur, W. H.; Tillmanns, E. Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic Acta Crystallographica, Section B, 1974, 30, 2218-2224
9007598	CIF	As2 F H28 Na7 O27	F d -3 c :2	28.12; 28.12; 28.12 90; 90; 90	22235.5	Baur, W. H.; Tillmanns, E. Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Acta Crystallographica, Section B, 1974, 30, 2218-2224
9007599	CIF	Mg2 O7 V2	P -1	13.767; 5.414; 4.912 81.42; 106.82; 130.33	266.795	Gopal, R.; Calvo, C. Crystal structure of magnesium divanadate, Mg2V2O7 Note: There is likely a minor typo in coordinates of O6 because bond lengths cannot be reproduced Acta Crystallographica, Section B, 1974, 30, 2491-2493
9007600	CIF	Co2 O7 V2	P 1 21/c 1	6.594; 8.38; 9.47 90; 100.17; 90	515.069	Sauerbrei, E. E.; Faggiani, R.; Calvo, C. Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 Acta Crystallographica, Section B, 1974, 30, 2907-2909
9007601	CIF	Ni2 O7 V2	P 1 21/c 1	6.515; 8.303; 9.35 90; 99.86; 90	498.309	Sauerbrei, E. E.; Faggiani, R.; Calvo, C. Cobalt vanadate, Co2V2O7, and nickel vanadate, Ni2V2O7 Note: x-coordinate of O7 altered to reproduce reported bond lengths Acta Crystallographica, Section B, 1974, 30, 2907-2909
9007602	CIF	Cl Cu2 H3 O3	R -3 :H	13.654; 13.654; 14.041 90; 90; 120	2266.98	Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Ordered structure, considered to be the true structure Acta Crystallographica, Section B, 1975, 31, 183-187
9007603	CIF	Cl Cu2 H3 O3	R -3 :H	6.827; 6.827; 14.041 90; 90; 120	566.746	Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, can be considered as the average structure Acta Crystallographica, Section B, 1975, 31, 183-187
9007604	CIF	Cl Cu2 O3	R -3 :H	6.827; 6.827; 14.041 90; 90; 120	566.746	Fleet, M. E. The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, with disordered oxygens Acta Crystallographica, Section B, 1975, 31, 183-187
9007605	CIF	As Fe H4 O6	P b c a	10.325; 8.953; 10.038 90; 90; 90	927.91	Kitahama, K.; Kiriyama, R.; Yoshihisa, B. Refinement of the crystal structure of scorodite Acta Crystallographica, Section B, 1975, 31, 322-324
9007606	CIF	Cu2 O7 V2	F d d 2	20.645; 8.383; 6.442 90; 90; 90	1114.9	Calvo, C.; Faggiani, R. Alpha cupric divanadate Acta Crystallographica, Section B, 1975, 31, 603-605
9007607	CIF	B2 Ca3 O6	R -3 c :H	8.6377; 8.6377; 11.849 90; 90; 120	765.612	Vegas, A.; Cano, F. H.; Garcia-Blanco S The crystal structure of calcium orthoborate: a redetermination Acta Crystallographica, Section B, 1975, 31, 1416-1419
9007608	CIF	Cu H4 Na2 O10 S2	P 1 21/c 1	5.807; 12.656; 5.517 90; 108.32; 90	384.912	Hawthorne, F. C.; Ferguson, R. B. Refinement of the crystal structure of krohnkite Acta Crystallographica, Section B, 1975, 31, 1753-1755
9007609	CIF	O3 Sb2	F d -3 m :1	11.1519; 11.1519; 11.1519 90; 90; 90	1386.91	Svensson, C. Refinement of the crystal structure of cubic antiomony trioxide, Sb2O3 Acta Crystallographica, Section B, 1975, 31, 2016-2018
9007610	CIF	Li0.55 Mn4 Na0.45 O15 Si5	P -1	7.621; 11.761; 6.731 92.767; 95.083; 106.867	573.345	Narita, H.; Koto, K.; Morimoto, N.; Yoshii, M. The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH) Acta Crystallographica, Section B, 1975, 31, 2422-2426
9007611	CIF	Ca3 H6 O10 Si2	C 1 c 1	16.278; 5.6321; 13.236 90; 134.898; 90	859.577	Malik, K. M. A.; Jeffery, J. W. A re-investigation of the structure of afwillite Acta Crystallographica, Section B, 1976, 32, 475-480
9007612	CIF	B3 H15 Mg O13	P 1 21/c 1	6.8221; 13.1145; 12.035 90; 104.552; 90	1042.21	Corazza, E. Inderite: Crystal structure refinement and relationship to kurnakovite Acta Crystallographica, Section B, 1976, 32, 1329-1333
9007613	CIF	As H9 Mg O8	P b c a	7.472; 10.891; 16.585 90; 90; 90	1349.65	Protas, J.; Gindt, R. Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic Acta Crystallographica, Section B, 1976, 32, 1460-1466
9007614	CIF	As3 Ca2 Mg1.7 Mn0.3 Na O12	I a -3 d	12.355; 12.355; 12.355 90; 90; 90	1885.94	Hawthorne, F. C. Refinement of the crystal structure of berzeliite Note: garnet structure Acta Crystallographica, Section B, 1976, 32, 1581-1583
9007615	CIF	Bi5 Cu Pb S9	P b n m	33.531; 11.486; 4.003 90; 90; 90	1541.7	Kohatsu, I.; Wuensch, B. J. The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite) Acta Crystallographica, Section B, 1976, 32, 2401-2409
9007616	CIF	Ca0.017 Fe0.614 Li0.301 Mg0.036 Mn0.333 Na0.014 O4 P0.965	P m n b	5.918; 10.037; 4.798 90; 90; 90	284.996	Alberti, A. Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4 Acta Crystallographica, Section B, 1976, 32, 2761-2764
9007617	CIF	O4 Pb W	P 1 21/a 1	13.555; 4.976; 5.561 90; 107.63; 90	357.471	Fujita, T.; Kawada, I.; Kato, K. Raspite from Broken Hill Acta Crystallographica, Section B, 1977, 33, 162-164
9007618	CIF	Al H4 O6 P	P b c a	9.822; 8.561; 9.63 90; 90; 90	809.75	Kniep, R.; Mootz, D.; Vegas, A. Variscite Acta Crystallographica, Section B, 1977, 33, 263-265
9007619	CIF	Ca4 H4 O16 P4	P -1	6.91; 6.627; 6.998 96.34; 103.82; 88.33	309.275	Catti, M.; Ferraris, G.; Filhol, A. Hydrogen bonding in the crystalline state. CaHPO4 (monetite), P-1 or P1? A novel neutron diffraction study Acta Crystallographica, Section B, 1977, 33, 1223-1229
9007620	CIF	C4 H10 Mg5 O18	P 1 21/c 1	10.105; 8.954; 8.378 90; 114.44; 90	690.118	Akao, M.; Iwai, S. The hydrogen bonding of hydromagnesite Acta Crystallographica, Section B, 1977, 33, 1273-1275
9007621	CIF	As2 Ca Fe O7 Sb	I 41/a :2	16.144; 16.144; 10.706 90; 90; 90	2790.29	Coda, A.; Dal Negro, A.; Sabelli, C.; Tazzoli, V. The crystal structure of stenhuggarite Acta Crystallographica, Section B, 1977, 33, 1807-1811
9007622	CIF	Al2 Ba0.24 H10 K0.01 O21 Si6 Sr0.71	P 1 21/m 1	6.793; 17.573; 7.759 90; 94.54; 90	923.312	Schlenker, J. L.; Pluth, J. J.; Smith, J. V. Refinement of the crystal structure of brewsterite, Ba0.5Sr1.5Al4Si12O32*10H2O Acta Crystallographica, Section B, 1977, 33, 2907-2910
9007623	CIF	C0.5 H4 Mg O4	C 1 2/m 1	16.56; 3.153; 6.231 90; 99.1; 90	321.249	Akao, M.; Iwai, S. The hydrogen bonding of artinite Note: anisotropic displacement parameters obtained from ICSD Acta Crystallographica, Section B, 1977, 33, 3951-3953
9007624	CIF	O4 Si Th	I 41/a m d :2	7.1328; 7.1328; 6.3188 90; 90; 90	321.481	Taylor, M.; Ewing, R. C. The crystal structure of the ThSiO4 polymorphs: huttonite and thorite Acta Crystallographica, Section B, 1978, 34, 1074-1079
9007625	CIF	O4 Si Th	P 1 21/n 1	6.784; 6.974; 6.5 90; 104.92; 90	297.158	Taylor, M.; Ewing, R. C. The crystal structure of the ThSiO4 polymorphs: huttonite and thorite Acta Crystallographica, Section B, 1978, 34, 1074-1079
9007626	CIF	Al2 H18 O15 S	P 1 21/c 1	7.44; 15.583; 11.7 90; 110.18; 90	1273.2	Sabelli, C.; Ferroni, R. T. The crystal structure of aluminite Note: anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1978, 34, 2407-2412
9007627	CIF	O4 Si Zn2	R -3 :H	13.948; 13.948; 9.315 90; 90; 120	1569.41	Klaska, K.-H.; Eck, J. C.; Pohl, D. New investigation of willemite Note: Anisotropic displacement parameters are from ICSD Acta Crystallographica, Section B, 1978, 34, 3324-3325
9007628	CIF	As2 Cu3 H2 O10 Pb	C 1 2/c 1	10.147; 5.892; 14.081 90; 106.05; 90	809.034	Ghose, S.; Wan, C. Structural chemistry of copper and zinc minerals. VI. Bayldonite, (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure Acta Crystallographica, Section B, 1979, 35, 819-823
9007629	CIF	As H Mn4 O13 Si3	P 1 21/n 1	6.66; 19.92; 7.67 90; 95.7; 90	1012.53	Gramaccioli, C. M.; Pilati, T.; Liborio, G. Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: The presence of a new tetrapolyphosphate-like anion Note: Displacement parameters taken from ICSD Acta Crystallographica, Section B, 1979, 35, 2287-2291
9007630	CIF	Ba5 Cl O12 P3	P 63/m	10.284; 10.284; 7.651 90; 90; 120	700.766	Hata, M.; Marumo, F.; Iwai, S.; Aoki, H. Structure of barium chlorapatite Acta Crystallographica, Section B, 1979, 35, 2382-2384
9007631	CIF	Al Cl Cu H28 O22 S2	P -1	6.282; 13.192; 6.26 91.85; 94.7; 82.46	512.443	Ginderow, D.; Cesbron, F. Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O Note: anisotropic displacement parameters obtained from ICSD Acta Crystallographica, Section B, 1979, 35, 2499-2502
9007632	CIF	H7 Mg O7 P	P b c a	10.203; 10.678; 10.015 90; 90; 90	1091.11	Abbona, F.; Boistelle, R.; Haser, R. Hydrogen bonding in MgHPO4*3H2O (newberyite) Acta Crystallographica, Section B, 1979, 35, 2514-2518
9007633	CIF	Al2 H6 K Na O10.765 Si2	I 1 2 1	10.226; 10.422; 9.884 90; 88.19; 90	1052.86	Alberti, A.; Vezzalini, G. The crystal structure of amicite, a zeolite Acta Crystallographica, Section B, 1979, 35, 2866-2869
9007634	CIF	Al2 O3	R -3 c :H	4.754; 4.754; 12.99 90; 90; 120	254.248	Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 300 K Acta Crystallographica, Section B, 1980, 36, 228-230
9007635	CIF	Al2 O3	R -3 c :H	4.844; 4.844; 13.27 90; 90; 120	269.656	Ishizawa, N.; Miyata, T.; Minato, I.; Marumo, F.; Iwai, S. A structural investigation of alpha-Al2O3 at 2170 K T = 2170 K Acta Crystallographica, Section B, 1980, 36, 228-230
9007636	CIF	Ca2 H K2 Na O20 Si7 Ti	P -1	10.377; 12.166; 7.059 90.91; 99.3; 92.76	878.187	Bissert, G. Verfeinerung der struktur von tinaksit, Ca2K2NaTiO[Si7O18(OH)] Note: z-coordinate of Si4 adjusted to match reported bond lengths Acta Crystallographica, Section B, 1980, 36, 259-263
9007637	CIF	As O2	P n m a	8.597; 5.235; 7.269 90; 90; 90	327.143	Jones, P. G.; Beesk, W.; Sheldrick, G. M.; Schwarzmann, E. Arsenic dioxide Acta Crystallographica, Section B, 1980, 36, 439-440
9007638	CIF	K Na O4 S	P 3 m 1	5.6066; 5.6066; 7.177 90; 90; 120	195.377	Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921
9007639	CIF	K3 Na O8 S2	P -3 m 1	5.6801; 5.6801; 7.309 90; 90; 120	204.221	Okada, K.; Ossaka, J. Structures of potassium sodium sulphate and tripotassium sodium disulphate Acta Crystallographica, Section B, 1980, 36, 919-921
9007640	CIF	Ni3 S2	R 3 2 :R	4.0718; 4.0718; 4.0718 89.459; 89.459; 89.459	67.5	Parise, J. B. Structure of hazelwoodite (Ni3S2) Acta Crystallographica, Section B, 1980, 36, 1179-1180
9007641	CIF	H42 Mg9 Mn1.882 O42 S2 Zn4	P 1 21/a 1	11.147; 20.35; 8.202 90; 92.69; 90	1858.5	Hill, R. J. The structure of mooreite Note: Isotropic and anisotropic displacement factors taken from ICSD Acta Crystallographica, Section B, 1980, 36, 1304-1311
9007642	CIF	Ca Cl6 H24 Mg2 O12	R -3 :H	10.136; 10.136; 17.318 90; 90; 120	1540.85	Clark, J. R.; Evans, H. T.; Erd, R. C. Tachyhydrite, dimagnesium calcium chloride 12-hydrate Acta Crystallographica, Section B, 1980, 36, 2736-2739
9007643	CIF	C O2	P a -3	5.624; 5.624; 5.624 90; 90; 90	177.884	Simon, A.; Peters, K. Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K Acta Crystallographica, Section B, 1980, 36, 2750-2751
9007644	CIF	Fe3 O4	F d -3 m :2	8.3941; 8.3941; 8.3941 90; 90; 90	591.456	Fleet, M. E. The structure of magnetite Acta Crystallographica, Section B, 1981, 37, 917-920
9007645	CIF	C3 H10 Ca Na2 O16 U	R -3 m :H	17.902; 17.902; 23.734 90; 90; 120	6587.26	Coda, A.; Della Giusta, A.; Tazzoli, V. The structure of synthetic andersonite, Na2Ca[UO2(CO3)3].x(H2O) (x~5.6) Note: anisotropic displacement factors are from ICSD Note: B(2,2) for C2 changed to reproduce Biso and make positive definite Acta Crystallographica, Section B, 1981, 37, 1496-1500
9007646	CIF	Ba0.1 Fe0.52 K0.66 Mg0.12 Na0.02 O8 Ti3.36	I 4/m	10.139; 10.139; 2.9664 90; 90; 90	304.944	Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065
9007647	CIF	Al0.08 Fe0.16 K0.65 Mn3.76 Na0.11 O8 Sr0.08	I 1 2/m 1	9.956; 2.8705; 9.706 90; 90.95; 90	277.347	Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: -1M polytype Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065
9007648	CIF	Al0.12 Ba0.34 Fe0.64 Mn3.24 O8 Pb0.08	I 1 2/m 1	10.026; 2.8782; 9.729 90; 91.03; 90	280.703	Post, J. E.; Von Dreele, R. B.; Buseck, P. R. Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1982, 38, 1056-1065
9007649	CIF	Na0.5 O13 Si3 Y4.5	P 63/m	9.334; 9.334; 6.759 90; 90; 120	509.975	Gunawardane, R. P.; Howie, R. A.; Glasser, F. P. Structure of the oxyapatite NaY9(SiO4)6O2 Note: apatite structure Acta Crystallographica, Section B, 1982, 38, 1564-1566
9007650	CIF	Fe S	P -6 2 c	5.963; 5.963; 11.754 90; 90; 120	361.948	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 0.0001 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007651	CIF	Fe S	P -6 2 c	5.999; 5.999; 11.71 90; 90; 120	364.96	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 393 K, P = 0.0001 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007652	CIF	Fe S	P -6 2 c	5.861; 5.861; 11.577 90; 90; 120	344.406	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 3.33 GPa Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007653	CIF	Fe S	P n m a	5.825; 3.4675; 6.0059 90; 90; 90	121.308	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007654	CIF	Fe S	P n m a	5.716; 3.347; 5.797 90; 90; 90	110.905	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007655	CIF	Fe S	P n m a	5.65; 3.3155; 5.7426 90; 90; 90	107.574	King, Jr, H. E.; Prewitt, C. T. High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 6.35 GPa, MnP-type structure Acta Crystallographica, Section B, 1982, 38, 1877-1887
9007656	CIF	C2 H5 Na3 O8	C 1 2/c 1	20.36; 3.48; 10.29 90; 106.48; 90	699.124	Choi, C. S.; Mighell, A. D. Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 disordered model, this is the prefered model Acta Crystallographica, Section B, 1982, 38, 2874-2876
9007657	CIF	C2 H5 Na3 O8	C 1 2/c 1	20.36; 3.48; 10.29 90; 106.48; 90	699.124	Choi, C. S.; Mighell, A. D. Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 ordered model, this is least favoured Acta Crystallographica, Section B, 1982, 38, 2874-2876
9007658	CIF	B5 Ca H10 Na O14	P 1 21/c 1	6.588; 12.56; 13.428 90; 99.97; 90	1094.32	Menchetti, S.; Sabelli, C.; Trosti-Ferroni R Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement Acta Crystallographica, Section B, 1982, 38, 3072-3075
9007659	CIF	Ni53 S54	P 31 2 1	10.29; 10.29; 15.993 90; 90; 120	1466.53	Collin, G.; Chavant, C.; Comes, R. Structure and planar faults in the defective NiAs-type compound Ni17S18 Acta Crystallographica, Section B, 1983, 39, 289-296
9007660	CIF	Mo S2	P 63/m m c	3.161; 3.161; 12.295 90; 90; 120	106.392	Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature Acta Crystallographica, Section B, 1983, 39, 404-407
9007661	CIF	Mo S2	R 3 m :H	3.163; 3.163; 18.37 90; 90; 120	159.162	Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype Acta Crystallographica, Section B, 1983, 39, 404-407
9007662	CIF	As Co	P n a m	5.2857; 5.8675; 3.4883 90; 90; 90	108.186	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007663	CIF	As Co	P n a 21	5.2857; 5.8675; 3.4883 90; 90; 90	108.186	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007664	CIF	As Co	P n a m	5.2675; 5.815; 3.4623 90; 90; 90	106.052	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007665	CIF	As Co	P n a m	5.2631; 5.801; 3.4569 90; 90; 90	105.543	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007666	CIF	As Co	P n a m	5.2575; 5.7782; 3.4453 90; 90; 90	104.664	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007667	CIF	As Fe	P n a 21	5.4401; 6.0259; 3.3712 90; 90; 90	110.513	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007668	CIF	As Fe	P n a m	5.4401; 6.0259; 3.3712 90; 90; 90	110.513	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007669	CIF	As Fe	P n a m	5.424; 5.9948; 3.3386 90; 90; 90	108.557	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.25 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007670	CIF	As Fe	P n a m	5.411; 5.9671; 3.3122 90; 90; 90	106.944	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.36 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007671	CIF	As Fe	P n a m	5.403; 5.9488; 3.2902 90; 90; 90	105.752	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 6.10 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007672	CIF	As Fe	P n a m	5.39; 5.928; 3.2662 90; 90; 90	104.361	Lyman, P. S.; Prewitt, C. T. Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 8.3 GPa Acta Crystallographica, Section B, 1984, 40, 14-20
9007673	CIF	Mn O3 Ti	R -3 :H	5.139; 5.139; 14.283 90; 90; 120	326.669	Kidoh, K.; Tanaka, K.; Marumo, F.; Takei, H. Electron density distribution in ilmenite-type crystals. II. Manganese (II) titanium (IV) trioxide Sample: ilmenite structure Acta Crystallographica, Section B, 1984, 40, 329-332
9007674	CIF	H16 Mg N O10 P	P m n 21	6.955; 6.142; 11.218 90; 90; 90	479.206	Ferraris, G.; Fuess, H.; Joswig, W. Neutron diffraction study of MgNH4PO4*6H2O (struvite) and survey of water molecules donating short hydrogen bonds Acta Crystallographica, Section B, 1986, 42, 253-258
9007675	CIF	B H3 O3	P -1	7.0187; 7.035; 6.3472 92.49; 101.46; 119.76	262.901	Gajhede, M.; Larsen, S.; Rettrup, S. Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement Acta Crystallographica, Section B, 1986, 42, 545-552
9007676	CIF	Al1.5 H4 Na1.875 O6.125 S1.125 Si1.5	I -4 3 m	9.0338; 9.0338; 9.0338 90; 90; 90	737.244	Tarling, S. E.; Barnes, P.; Klinowski, J. The structure and Si,Al distribution of the ultramarines Note: disordered synthetic counterpart to lazurite Note: occupancies changed to match formula Acta Crystallographica, Section B, 1988, 44, 128-135
9007677	CIF	As3 Ni8.499 O16	R -3 m :R	9.8105; 9.8105; 9.8105 35.312; 35.312; 35.312	281.837	Fleet, M. E.; Barbier, J. Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series Acta Crystallographica, Section B, 1989, 45, 201-205
9007678	CIF	Ge3 Mg5.467 Ni4.533 O16	R -3 m :R	10.125; 10.125; 10.125 33.79; 33.79; 33.79	286.075	Fleet, M. E.; Barbier, J. Structure of aerugite (Ni8.5As3O16) and interrelated arsenate and germanate structural series Acta Crystallographica, Section B, 1989, 45, 201-205
9007679	CIF	K O5 P Ti	P n a 21	12.819; 6.399; 10.584 90; 90; 90	868.193	Thomas, P. A.; Glazer, A. M.; Watts, B. E. Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure Acta Crystallographica, Section B, 1990, 46, 333-343
9007680	CIF	K O5 P Sn	P n a 21	13.145; 6.526; 10.738 90; 90; 90	921.151	Thomas, P. A.; Glazer, A. M.; Watts, B. E. Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure Acta Crystallographica, Section B, 1990, 46, 333-343
9007681	CIF	C4 H3 Na5 O12	P -1	3.4762; 10.0393; 15.5969 107.77; 95.589; 95.028	511.906	Fernandes, N. G.; Tellgren, R.; Olovsson, I. Structure and electron density of pentasodium trihydrogentetracarbonate Note: anisotropic displacement factors from ICSD Acta Crystallographica, Section B, 1990, 46, 466-474
9007682	CIF	Co S2	P a -3	5.5385; 5.5385; 5.5385 90; 90; 90	169.893	Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model Acta Crystallographica, Section B, 1991, 47, 650-659
9007683	CIF	Ni S2	P a -3	5.6765; 5.6765; 5.6765 90; 90; 90	182.912	Nowack, E.; Schwarzenbach, D.; Hahn, T. Charge densities in CoS2 and NiS2 (pyrite structure) Note: multipole model, T = 135 K Acta Crystallographica, Section B, 1991, 47, 650-659
9007684	CIF	As2 Ni3 O8	P 1 21/c 1	5.764; 9.559; 10.194 90; 92.95; 90	560.925	Barbier, J.; Frampton, C. Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Acta Crystallographica, Section B, 1991, 47, 457-462
9007685	CIF	As2 Ni3 O8	C m c e	5.943; 11.263; 8.164 90; 90; 90	546.466	Barbier, J.; Frampton, C. Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Note: polymorph of xanthiosite Acta Crystallographica, Section B, 1991, 47, 457-462
9007689	CIF	C Ca O3	R -3 c :H	4.988; 4.988; 17.068 90; 90; 120	367.761	Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B, 1995, 51, 929-939
9007690	CIF	C Mn O3	R -3 c :H	4.772; 4.772; 15.637 90; 90; 120	308.379	Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Sample: Synchrotron data Acta Crystallographica, Section B, 1995, 51, 929-939
9007692	CIF	C Mg O3	R -3 c :H	4.632; 4.632; 15.002 90; 90; 120	278.751	Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B, 1995, 51, 929-939
9007694	CIF	Co0.06 Cu0.68 Fe0.11 Ni0.15 S2	P 1 21 1	5.709; 5.707; 5.708 90; 90.01; 90	185.974	Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 1 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904
9007695	CIF	Co0.13 Cu0.53 Fe0.07 Ni0.27 S2	P 1 21 1	5.704; 5.703; 5.704 90; 89.99; 90	185.551	Marcos, C.; Paniagua, A.; Moreiras, D. B.; Garcia-Granda S; Diaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Sample: 2 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1996, 52, 899-904
9007697	CIF	Cu6 O8 Pb	F m -3 m	9.314; 9.314; 9.314 90; 90; 90	807.995	Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at ambient conditions Acta Crystallographica, Section B, 2000, 56, 22-26
9007698	CIF	Cu6 O8 Pb	F m -3 m	8.623; 8.623; 8.623 90; 90; 90	641.173	Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at high pressure Acta Crystallographica, Section B, 2000, 56, 22-26
9007701	CIF	Al2 Mn3 O12 Si3	I a -3 d	11.63; 11.63; 11.63 90; 90; 90	1573.04	Gramaccioli, C. M.; Pilati, T.; Demartin, F. Atomic displacement parameters for spessartine Mn3Al2Si3O12 and their lattice-dynamical interpretation Acta Crystallographica, Section B, 2002, 58, 965-969
9011080	CIF	Cl2 Hg3 S2	I 21 3	8.949; 8.949; 8.949 90; 90; 90	716.677	Frueh, A. J.; Gray, N. Confirmation and refinement of the structure of Hg3S2Cl2 Acta Crystallographica, Section B, 1968, 24, 156-157
9011083	CIF	Al Cl3 H12 O6	R -3 c :H	11.827; 11.827; 11.895 90; 90; 120	1440.94	Buchanan, D. R.; Harris, P. M. A neutron and X-ray diffraction investigation of aluminium chloride hexahydrate Locality: synthetic Sample: single crystal X-ray diffraction data Acta Crystallographica, Section B, 1968, 24, 954-960
9011085	CIF	Na2 O5 Si2	P 1 21/a 1	12.329; 4.848; 8.133 90; 104.24; 90	471.181	Pant, A. K. A reconsideration of the crystal structure of beta-Na2Si2O5 Acta Crystallographica, Section B, 1968, 24, 1077-1083
9011086	CIF	Cl Hg1.5 S	A 2 m m	4.664; 16.82; 9.081 90; 90; 90	712.391	Durovic, S. The crystal structure of gamma-Hg3S2Cl2 Sample: one-layer structure used for interatomic functions Acta Crystallographica, Section B, 1968, 24, 1661-1670
9011088	CIF	Cl Hg1.5 S	P b m m	9.328; 8.41; 4.5405 90; 90; 90	356.195	Durovic, S. The crystal structure of gamma-Hg3S2Cl2 Sample: superposition structure Acta Crystallographica, Section B, 1968, 24, 1661-1670
9011089	CIF	Ga	C 1 2/c 1	2.766; 8.053; 3.332 90; 92.02; 90	74.173	Bosio, L.; Defrain, A.; Curien, H.; Rimsky, A. Structure cristalline du gallium-beta Sample: at T = 248.15 K Note: structure known as beta phase Acta Crystallographica, Section B, 1969, 25, 995-995
9011090	CIF	Fe7 O10 Si	P 1 21/m 1	21.4; 3.06; 5.88 90; 98; 90	381.299	Smuts, J.; Steyn, J. G. D.; Boeyens, J. C. A. The crystal structure of an iron silicate, iscorite Acta Crystallographica, Section B, 1969, 25, 1251-1255
9011091	CIF	Ca5 H O13 P3	P 63/m	9.424; 9.424; 6.879 90; 90; 120	529.086	Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-4 Acta Crystallographica, Section B, 1969, 25, 1534-1543
9011092	CIF	Ca5 H O13 P3	P 63/m	9.424; 9.424; 6.879 90; 90; 120	529.086	Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-6 Acta Crystallographica, Section B, 1969, 25, 1534-1543
9011093	CIF	Ca5 H O13 P3	P 63/m	9.424; 9.424; 6.879 90; 90; 120	529.086	Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-10 Acta Crystallographica, Section B, 1969, 25, 1534-1543
9011094	CIF	Ca5 H O13 P3	P 63/m	9.424; 9.424; 6.879 90; 90; 120	529.086	Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: Neutron Acta Crystallographica, Section B, 1969, 25, 1534-1543
9011099	CIF	Cl Fe2 O12 Te4	P -1	8.89; 5.08; 6.63 103.17; 107.08; 77.87	275.366	Dusausoy, Y.; Protas, J. Determination et etude de la structure cristalline de la rodalquilarite, chlorotellurite acide de fer Acta Crystallographica, Section B, 1969, 25, 1551-1558
9011100	CIF	C H30 Ca3 Mn O25 S	P 63	11.06; 11.06; 10.5 90; 90; 120	1112.32	Granger, M. M.; Protas, J. Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O) Acta Crystallographica, Section B, 1969, 25, 1943-1951
9011101	CIF	B5 H4 N O10	P 1 21/c 1	9.47; 7.63; 11.65 90; 97.08; 90	835.365	Merlino, S.; Sartori, F. The crystal structure of lardellite, NH4B5O7(OH)2*H2O Acta Crystallographica, Section B, 1969, 25, 2264-2270
9011102	CIF	C H20 Na2 O13	C 1 c 1	12.83; 9.026; 13.44 90; 123; 90	1305.31	Taga, T. Crystal structure of Na2CO3*10H2O Acta Crystallographica, Section B, 1969, 25, 2656-2657
9011103	CIF	Al2 Ca6 H66 O49.68 S3	P 3 1 c	11.26; 11.26; 21.48 90; 90; 120	2358.53	Moore, A. E.; Taylor, H. F. W. Crystal structure of ettringite Acta Crystallographica, Section B, 1970, 26, 386-393
9011104	CIF	O7 Si2 Yb2	C 1 2/m 1	6.802; 8.875; 4.703 90; 102.12; 90	277.581	Smolin, Y. I.; Shepelev, Y. F. The crystal structures of the rare earth pyrosilicates Acta Crystallographica, Section B, 1970, 26, 484-492
9011105	CIF	Er2 O7 Si2	P 1 1 21/b	4.683; 5.556; 10.79 90; 90; 96	279.204	Smolin, Y. I.; Shepelev, Y. F. The crystal structures of the rare earth pyrosilicates Acta Crystallographica, Section B, 1970, 26, 484-492
9011106	CIF	Gd2 O7 Si2	P n a 21	13.87; 5.073; 8.33 90; 90; 90	586.12	Smolin, Y. I.; Shepelev, Y. F. The crystal structures of the rare earth pyrosilicates Acta Crystallographica, Section B, 1970, 26, 484-492
9011107	CIF	Nd2 O7 Si2	P 21 21 21	5.394; 12.95; 8.72 90; 90; 90	609.112	Smolin, Y. I.; Shepelev, Y. F. The crystal structures of the rare earth pyrosilicates Acta Crystallographica, Section B, 1970, 26, 484-492
9011108	CIF	Mn	I -4 3 m	8.911; 8.911; 8.911 90; 90; 90	707.586	Oberteuffer, J. A.; Ibers, J. A. A refinement of the atomic and thermal parameters of alpha-manganese from a single crystal Acta Crystallographica, Section B, 1970, 26, 1499-1504
9011109	CIF	B35	R -3 m :R	10.17; 10.17; 10.17 65.12; 65.12; 65.12	826.857	Geist, D.; Kloss, R.; Follner, H. Verfeinerung des beta-rhomboedrischen bors Acta Crystallographica, Section B, 1970, 26, 1800-1802
9011110	CIF	O9 Te3 U	P a -3	11.37; 11.37; 11.37 90; 90; 90	1469.88	Galy, J.; Meunier, G. A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C Acta Crystallographica, Section B, 1971, 27, 608-616
9011111	CIF	B2 Ca H12 O10	C 1 2/c 1	16.07999; 6.69; 7.95 90; 104.9; 90	826.466	Sedlacek, P.; Dornberger-Schiff K An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (1) Acta Crystallographica, Section B, 1971, 27, 1532-1541
9011112	CIF	B2 Ca H12 O10	P 1 2/c 1	8.04; 6.69; 7.95 90; 104.9; 90	413.233	Sedlacek, P.; Dornberger-Schiff K An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (2) Acta Crystallographica, Section B, 1971, 27, 1532-1541
9011113	CIF	Al Ca2 Fe O5	I b m 2	5.584; 14.6; 5.374 90; 90; 90	438.123	Colville, A. A.; Geller, S. The crystal structure of brownmillerite, Ca2FeAlO5 Note: no bond lengths could be reproduced Acta Crystallographica, Section B, 1971, 27, 2311-2315
9011114	CIF	C5 H7 N5 O2	P 1 21/n 1	16.51; 11.277; 3.645 90; 96.8; 90	673.864	Thewalt, U.; Bugg, C. E.; Marsh, R. E. The crystal structure of guanine monohydrate Acta Crystallographica, Section B, 1971, 27, 2358-2362
9011115	CIF	K2 Mg5 O30 Si12	P 6/m c c	10.222; 10.222; 14.152 90; 90; 120	1280.62	Khan, A. A.; Baur, W. H.; Forbes, W. C. Synthetic magnesian merrihueite, dipotassium pentamagnesium dodecasilicate: a tetrahedral magnesiosilicate framework crystal structure Acta Crystallographica, Section B, 1972, 28, 267-272
9011116	CIF	Se8	P 1 21/n 1	9.054; 9.083; 11.601 90; 90.81; 90	953.942	Cherin, P.; Unger, P. Refinement of the crystal structure of alpha-monoclinic Se Sample: at T = 26 C Note: structure known as alpha phase Acta Crystallographica, Section B, 1972, 28, 313-317
9011117	CIF	Ag5 Hg7.55	I 2 3	10.0506; 10.0506; 10.0506 90; 90; 90	1015.26	Fairhurst, C. W.; Cohen, J. B. The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Acta Crystallographica, Section B, 1972, 28, 371-378
9011118	CIF	Ag3 Sn	P m m n :2	5.968; 4.7802; 5.1843 90; 90; 90	147.899	Fairhurst, C. W.; Cohen, J. B. The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Acta Crystallographica, Section B, 1972, 28, 371-378
9011119	CIF	C8 H5 N O2	P 1 21/n 1	22.83; 7.651; 3.81 90; 91.36; 90	665.314	Matzat, E. Die kristallstruktur des phtalimids (kladnoit) Acta Crystallographica, Section B, 1972, 28, 415-418
9011120	CIF	Ga	C m c m	10.593; 13.523; 5.203 90; 90; 90	745.325	Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A. Structure cristalline de Ga-gamma Sample: at T = 220 K Note: structure known as gamma phase Acta Crystallographica, Section B, 1972, 28, 1974-1975
9011121	CIF	H9 N2 O4 P	P 1 21/c 1	11.043; 6.7; 8.031 90; 113.42; 90	545.246	Khan, A. A.; Roux, J. P.; James, W. J. The crystal structure of diammonium hydrogen phosphate, (NH4)2HPO4 Acta Crystallographica, Section B, 1972, 28, 2065-2069
9011122	CIF	H4 Mo O5	P 1 21/n 1	10.476; 13.822; 10.606 90; 91.62; 90	1535.13	Krebs, B. Die kristallstruktur von MoO3*2H2O Acta Crystallographica, Section B, 1972, 28, 2222-2231
9011123	CIF	C2 H10 N2 O5	P 21 21 2	8.035; 10.309; 3.795 90; 90; 90	314.351	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(XR) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011124	CIF	C2 H10 N2 O5	P 21 21 2	8.025; 10.3; 3.799 90; 90; 90	314.016	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(XR) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011125	CIF	C2 H10 N2 O5	P 21 21 2	8.027; 10.298; 3.816 90; 90; 90	315.438	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(XR) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011126	CIF	C2 H10 N2 O5	P 21 21 2	8.035; 10.309; 3.795 90; 90; 90	314.351	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(N) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011127	CIF	C2 H2 N2 O5	P 21 21 2	8.025; 10.3; 3.799 90; 90; 90	314.016	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(N) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011128	CIF	C2 H10 N2 O5	P 21 21 2	8.027; 10.298; 3.816 90; 90; 90	315.438	Taylor, J. C.; Sabine, T. M. Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(N) Acta Crystallographica, Section B, 1972, 28, 3340-3351
9011129	CIF	Cl10 Cu4 K4 O	C 1 2/c 1	14.7; 14.88; 8.95 90; 104.74; 90	1893.26	de Boer, J. J.; Bright, D.; Helle, J. N. The structure of the potassium salt of mu4-oxo-hexa-mu-chloro- tetra[chlorocuprate(II)], K4Cu4OCl10 Acta Crystallographica, Section B, 1972, 28, 3436-3437
9011130	CIF	B5 H10 Na O13	C 1 2/c 1	11.119; 16.474; 13.576 90; 112.83; 90	2291.96	Merlino, S.; Sartori, F. The crystal structure of sborgite, NaB5O6(OH)4*3H2O Acta Crystallographica, Section B, 1972, 28, 3559-3567
9011131	CIF	H0.886 O12.886 P3 Sr4.894	P 63/m	9.745; 9.745; 7.265 90; 90; 120	597.489	Sudarsanan, K.; Young, R. A. Structure of strontium hydroxide phosphate, Sr5(PO4)3OH Locality: synthetic Acta Crystallographica, Section B, 1972, 28, 3668-3670
9011133	CIF	Cu3 S4 Sb	I -4 2 m	5.385; 5.385; 10.754 90; 90; 90	311.847	Garin, J.; Parthe, E. The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4 Acta Crystallographica, Section B, 1972, 28, 3672-3674
9011134	CIF	Cu3 P Se4	P m n 21	7.697; 6.661; 6.381 90; 90; 90	327.152	Garin, J.; Parthe, E. The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4 Acta Crystallographica, Section B, 1972, 28, 3672-3674
9011135	CIF	As Lu O4	I 41/a m d :2	6.949; 6.949; 6.227 90; 90; 90	300.693	Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C. Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with Chernovite-(Y) Acta Crystallographica, Section B, 1973, 29, 141-142
9011136	CIF	Lu O4 P	I 41/a m d :2	6.792; 6.792; 5.955 90; 90; 90	274.712	Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C. Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Note: isostructural with xenotime-(Y) Acta Crystallographica, Section B, 1973, 29, 141-142
9011137	CIF	O4 V Y	I 41/a m d :2	7.12; 7.12; 6.289 90; 90; 90	318.817	Lohmuller, G.; Schmidt, G.; Deppisch, B.; Gramlich, V.; Scheringer, C. Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat Locality: synthetic Acta Crystallographica, Section B, 1973, 29, 141-142
9011138	CIF	Ca O7 V3	P n a m	10.459; 5.295; 10.382 90; 90; 90	574.959	Bouloux, J. C.; Galy, J. Les hypovanadates MV3O7 (M=Ca,Sr,Cd). Structure cristalline de CaV3O7 Acta Crystallographica, Section B, 1973, 29, 269-275
9011139	CIF	Ga	R -3 m :H	9.087; 9.087; 17.02 90; 90; 120	1217.11	Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A. Structure cristalline de Ga-delta Loclity: synthetic Sample: at T = 191 K Note: structure known as the delta phase Acta Crystallographica, Section B, 1973, 29, 367-368
9011140	CIF	Cu O5 Te2	P 1 21/c 1	6.871; 9.322; 7.602 90; 109.08; 90	460.169	Hanke, K.; Kupcik, V.; Lindqvist, O. The crystal structure of CuTe2O5 Acta Crystallographica, Section B, 1973, 29, 963-970
9011141	CIF	O5 Te U	P c a 21	10.161; 5.363; 7.862 90; 90; 90	428.427	Meunier, G.; Galy, J. Structure cristalline de la schmitterite synthetique UTeO5 Acta Crystallographica, Section B, 1973, 29, 1251-1255
9011142	CIF	Cu5 O10 V2	P 1 21/c 1	8.393; 6.0652; 16.156 90; 108.09; 90	781.772	Shannon, R. D.; Calvo, C. Crystal structure of Cu5V2O10 Acta Crystallographica, Section B, 1973, 29, 1338-1345
9011143	CIF	As Hg3 O4	P 1 21/c 1	8.73; 5.08; 15.64 90; 128.4; 90	543.577	Kamenar, B.; Kaitner, B. The crystal structure of mercury(I) orthoarsenate Acta Crystallographica, Section B, 1973, 29, 1666-1669
9011144	CIF	Ca4 O9 P2	P 1 21 1	7.023; 11.986; 9.473 90; 90.9; 90	797.317	Dickens, B.; Brown, W. E.; Kruger, G. J.; Stewart, J. M. Ca4(PO4)2O, tetracalcium diphosphate monooxide. Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2 Note: z(O11) corrected to match reported bond lengths Acta Crystallographica, Section B, 1973, 29, 2046-2056
9011145	CIF	Cu9 Fe9 S16	P -4 2 m	10.585; 10.585; 5.383 90; 90; 90	603.123	Hall, S. R.; Rowland, J. F. The crystal structure of synthetic mooihoekite, Cu9Fe9S16 Acta Crystallographica, Section B, 1973, 29, 2365-2372
9011146	CIF	Na O6 Sc Si2	C 1 2/c 1	9.8438; 9.0439; 5.354 90; 107.215; 90	455.294	Hawthorne, F. C.; Grundy, H. D. Refinement of the crystal structure of NaScSi2O6 Acta Crystallographica, Section B, 1973, 29, 2615-2616
9011147	CIF	H9 N Na O8 P	P -1	10.636; 6.9187; 6.4359 90.46; 97.87; 109.2	442.331	Ferraris, G.; Franchini-Angela M Hydrogen bonding in the crystalline state. Crystal structure and twinning of NaNH4HPO4*4H2O (Stercorite) Acta Crystallographica, Section B, 1974, 30, 504-510
9011148	CIF	Cl H4 Na O2	P 1 21/c 1	6.3313; 10.1178; 6.5029 90; 114.407; 90	379.341	Klewe, B.; Pedersen, B. The crystal structure of sodium chloride dihydrate Acta Crystallographica, Section B, 1974, 30, 2363-2371
9011149	CIF	Al2.672 Ca0.82 H12 K O22 Si5.328	P 1 21/m 1	9.865; 14.3; 8.668 90; 124.2; 90	1011.35	Rinaldi, R.; Pluth, J. J.; Smith, J. V. Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome Acta Crystallographica, Section B, 1974, 30, 2426-2433
9011150	CIF	Al2.48 Ba Ca0.3 H12 O22 Si5.52	P 1 21/m 1	9.879; 14.139; 8.693 90; 124.81; 90	996.944	Rinaldi, R.; Pluth, J. J.; Smith, J. V. Zeolites of the phillipsite family. Refinement of the crystal structure of phillipsite and harmotome Acta Crystallographica, Section B, 1974, 30, 2426-2433
9011152	CIF	H K O4 S	P b c a	8.412; 9.8; 18.957 90; 90; 90	1562.77	Cotton, F. A.; Frenz, B. A.; Hunter, D. L. The structure of potassium hydrogensulfate Note: y(O23), z(H1), x(H2) corrected Acta Crystallographica, Section B, 1975, 31, 302-304
9011153	CIF	C H2 Na2 O4	P 21 a b	6.472; 10.724; 5.259 90; 90; 90	365.005	Wu, K. K.; Brown, I. D. A neutron diffraction study of Na2CO3*H2O Acta Crystallographica, Section B, 1975, 31, 890-892
9011154	CIF	H8 O12 P2 Zn3	P n m a	10.629; 18.339; 5.04 90; 90; 90	982.423	Whitaker, A. The crystal structure of hopeite, Zn3(PO4)2*4H2O Acta Crystallographica, Section B, 1975, 31, 2026-2035
9011155	CIF	O9 S2 Sb2	P 41 21 2	6.59; 6.59; 17.04 90; 90; 90	740.015	Mercier, R.; Douglade, J.; Theobald, F. R. Structure cristalline de Sb2O3*2SO3 Acta Crystallographica, Section B, 1975, 31, 2081-2085
9011156	CIF	Cu4 Fe5 S8	P 2 2 2	10.705; 10.734; 31.63 90; 90; 90	3634.52	Rowland, J. F.; Hall, S. R. Haycockite, Cu4Fe5S8: a superstructure in the chalcopyrite series Acta Crystallographica, Section B, 1975, 31, 2105-2112
9011157	CIF	Cu2.5 Fe0.5 S2	P b c a	10.95; 21.862; 10.95 90; 90; 90	2621.31	Koto, K.; Morimoto, N. Superstructure investigation of bornite, Cu5FeS4, by the modified partial Patterson function Acta Crystallographica, Section B, 1975, 31, 2268-2273
9011158	CIF	B5 H5 Na2 O11	P n a 21	12.015; 6.518; 11.173 90; 90; 90	875	Corazza, E.; Menchetti, S.; Sabelli, C. The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O Acta Crystallographica, Section B, 1975, 31, 2405-2410
9011159	CIF	F3 La	P -3 c 1	7.185; 7.185; 7.351 90; 90; 120	328.648	Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F. A powder neutron diffraction study of lanthanum and cerium trifluorides Chem 5 (1966) 1466-1468 Acta Crystallographica, Section B, 1976, 32, 94-97
9011160	CIF	Ce F3	P -3 c 1	7.131; 7.131; 7.286 90; 90; 120	320.864	Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F. A powder neutron diffraction study of lanthanum and cerium trifluorides Acta Crystallographica, Section B, 1976, 32, 94-97
9011161	CIF	Ca9 H Mn O28 P7	R 3 c :H	10.438; 10.438; 37.15 90; 90; 120	3505.29	Kostiner, E.; Rea, J. R. The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14 Acta Crystallographica, Section B, 1976, 32, 250-253
9011162	CIF	B7 Ba3 H4 Na O20 Si2	C 1 2/c 1	14.639; 8.466; 13.438 90; 114.21; 90	1518.95	Ghose, S.; Wan, C.; Ulbrich, H. H. Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a silicoborate with the pentaborate [B5O12]9- polyanion Acta Crystallographica, Section B, 1976, 32, 824-832
9011163	CIF	Cu H12 N6 O6	P n n m	10.84; 23.693; 6.902 90; 90; 90	1772.66	Morosin, B. The crystal structure of copper(II) tetraammine nitrate Acta Crystallographica, Section B, 1976, 32, 1237-1240
9011164	CIF	Fe6.34 Mn O38 Pb0.83 Ti13.66	R -3 :R	9.172; 9.172; 9.172 69.02; 69.02; 69.02	648.885	Grey, I. E.; Lloyd, D. J. The crystal structure of senaite Acta Crystallographica, Section B, 1976, 32, 1509-1513
9011165	CIF	O15 S2 Sb6	C c c 2	12.073; 19.023; 5.876 90; 90; 90	1349.51	Bovin, J. O. The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2 Acta Crystallographica, Section B, 1976, 32, 1771-1777
9011166	CIF	H K O4 S	P b c a	8.429; 9.807; 18.976 90; 90; 90	1568.62	Payan, F.; Haser, R. On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a previous crystal structure determination Acta Crystallographica, Section B, 1976, 32, 1875-1879
9011167	CIF	O12 S3 Sb2	P 1 21/c 1	13.12; 4.75; 17.55 90; 126.3; 90	881.457	Mercier, R.; Douglade, J.; Bernard, J. Structure cristalline de Sb2O3*3SO3 Acta Crystallographica, Section B, 1976, 32, 2787-2791
9011168	CIF	H28 Mg3 N2 O24 P4	P -1	10.728; 7.67; 6.702 97.87; 96.97; 104.74	521.225	Catti, M.; Franchini-Angela M Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O (hannayite), and crystal-chemical relationships with schertelite and struvite Acta Crystallographica, Section B, 1976, 32, 2842-2848
9011169	CIF	O2 Sb	P n a 21	5.456; 4.814; 11.787 90; 90; 90	309.588	Thornton, G. A neutron diffraction study of a-Sb2O4 Acta Crystallographica, Section B, 1977, 33, 1271-1273
9011170	CIF	B	R -3 m :H	10.9251; 10.9251; 23.8143 90; 90; 120	2461.61	Callmer, B. An accurate refinement of the beta-rhombohedral boron structure Acta Crystallographica, Section B, 1977, 33, 1951-1954
9011171	CIF	As Cu2 H O5	P 21/n 1 1	8.615; 8.24; 5.953 90; 90; 90	422.589	Toman, K. The symmetry and crystal structure of olivenite Sample: alpha = .23 Acta Crystallographica, Section B, 1977, 33, 2628-2631
9011172	CIF	As Cu2 H O5	P 21/n 1 1	8.615; 8.24; 5.953 90; 90; 90	422.589	Toman, K. The symmetry and crystal structure of olivenite Sample: alpha = .00 Acta Crystallographica, Section B, 1977, 33, 2628-2631
9011173	CIF	Ca Cl F	P 4/n m m :2	3.894; 3.894; 6.818 90; 90; 90	103.383	Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794
9011174	CIF	Ba Br F	P 4/n m m :2	4.508; 4.508; 7.441 90; 90; 90	151.216	Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794
9011175	CIF	Ba F I	P 4/n m m :2	4.654; 4.654; 7.962 90; 90; 90	172.455	Liebich, W.; Nicollin, D. Refinement of the PbFCl types BaFI, BaFBr and CaFCl Note: matlockite structure Acta Crystallographica, Section B, 1977, 33, 2790-2794
9011177	CIF	Al1.42 Ba0.39 Ca0.01 K0.43 Na0.17 O8 Si2.58	C 1 2/m 1	8.557; 13.04; 7.2 90; 115.69; 90	723.986	De Pieri, R.; Quareni, S.; Hall, K. M. Refinement of the structures of low and high hyalophanes Sample: Low hyalophane Acta Crystallographica, Section B, 1977, 33, 3073-3076
9011178	CIF	Al1.42 Ba0.39 Ca0.01 K0.43 Na0.17 O8 Si2.58	C 1 2/m 1	8.556; 13.045; 7.189 90; 115.63; 90	723.436	De Pieri, R.; Quareni, S.; Hall, K. M. Refinement of the structures of low and high hyalophanes Sample: High hyalophane Acta Crystallographica, Section B, 1977, 33, 3073-3076
9011179	CIF	H5 Na2 O6 P	P b c a	16.872; 10.359; 6.599 90; 90; 90	1153.35	Catti, M.; Ferraris, G.; Franchini-Angela M The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds Locality: synthetic Note: displacement parameters from ICSD, Biso(H1) invented Acta Crystallographica, Section B, 1977, 33, 3449-3452
9011180	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-50 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011181	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-50 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011182	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-30 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011183	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 0-30 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011184	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 30-50 degree reflections Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011185	CIF	Al B O3	R -3 c :H	4.4638; 4.4638; 13.745 90; 90; 120	237.184	Vegas, A.; Cano, F. H.; Garcia-Blanco S Refinement of aluminium orthoborate Sample: 30-50 degree reflections, Al3+, O- Note: calcite structure type Acta Crystallographica, Section B, 1977, 33, 3607-3609
9011186	CIF	Ca I2 O6	P 1 21/n 1	7.1432; 11.297; 7.2804 90; 106.35; 90	563.746	Ghose, S.; Wan, C. The crystal structure of synthetic lautarite, Ca(IO3)2 Note: Biso(O1) corrected Acta Crystallographica, Section B, 1978, 34, 84-88
9011187	CIF	Fe Na O8 Ti3	C 1 2/m 1	12.267; 3.823; 6.483 90; 107.16; 90	290.497	Ishiguro, T.; Tanaka, K.; Marumo, F.; Ismail, M. G. M. U.; Hirano, S.; Somiya, S. Freudenbergite Note: anisoU's from ICSD Acta Crystallographica, Section B, 1978, 34, 255-256
9011188	CIF	As Cu0.86 H O5 Zn1.14	P n n m	8.5; 8.52; 5.99 90; 90; 90	433.796	Toman, K. Ordering in olivenite-adamite solid solutions Acta Crystallographica, Section B, 1978, 34, 715-721
9011189	CIF	Na2 O5 Si Ti	P 4/n m m :1	6.48; 6.48; 5.107 90; 90; 90	214.445	Nyman, H.; O'Keeffe M; Bovin, J. O. Sodium titanium silicate, Na2TiSiO5 Note: anisoU's from ICSD Acta Crystallographica, Section B, 1978, 34, 905-906
9011190	CIF	O3 Pb Ti	P 4 m m	3.895; 3.895; 4.171 90; 90; 90	63.278	Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = -183 C Acta Crystallographica, Section B, 1978, 34, 1065-1070
9011191	CIF	O3 Pb Ti	P 4 m m	3.899; 3.899; 4.167 90; 90; 90	63.348	Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample; T = -115 C Acta Crystallographica, Section B, 1978, 34, 1065-1070
9011192	CIF	O3 Pb Ti	P 4 m m	3.905; 3.905; 4.156 90; 90; 90	63.375	Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = 25 C Acta Crystallographica, Section B, 1978, 34, 1065-1070
9011193	CIF	O3 Pb Ti	P 4/m m m	3.97; 3.97; 3.97 90; 90; 90	62.571	Glazer, A. M.; Mabud, S. A. Powder profile refinement of lead zirconate titanate at several temperatures. II. Pure PbTiO3 Locality: synthetic Sample: T = 550 C Acta Crystallographica, Section B, 1978, 34, 1065-1070
9011194	CIF	O5 Te U	P b c m	5.363; 10.161; 7.862 90; 90; 90	428.427	Loopstra, B. O.; Brandenburg, N. P. Uranyl selenite and uranyl tellurite Acta Crystallographica, Section B, 1978, 34, 1335-1337
9011195	CIF	O5 Se U	P 1 21/m 1	5.408; 9.278; 4.2545 90; 93.45; 90	213.084	Loopstra, B. O.; Brandenburg, N. P. Uranyl selenite and uranyl tellurite Acta Crystallographica, Section B, 1978, 34, 1335-1337
9011196	CIF	Ca O10 S6 Sb10	C 1 2/c 1	25.37; 5.654; 16.87 90; 117.58; 90	2144.89	Nakai, I.; Nagashima, K.; Koto, K.; Morimoto, N. Crystal structure of oxide-chalcogenide. I.The crystal stucture of sarabauite CaSb10O10S6 Locality: Sarabau mine, Sarawak, Malaysia Acta Crystallographica, Section B, 1978, 34, 3569-3572
9011197	CIF	Mn	P 41 3 2	6.315; 6.315; 6.315 90; 90; 90	251.837	Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S. Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system Acta Crystallographica, Section B, 1978, 34, 3573-3576
9011198	CIF	Mn3.28 Ni1.01 Si0.71	P 21 3	6.292; 6.292; 6.292 90; 90; 90	249.096	Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S. Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system Acta Crystallographica, Section B, 1978, 34, 3573-3576
9011199	CIF	H12 K Mg O10 P	P m n 21	6.873; 6.16; 11.087 90; 90; 90	469.398	Mathew, M.; Schroeder, L. W. Crystal structure of a struvite analogue, MgKPO4*6H2O Acta Crystallographica, Section B, 1979, 35, 11-13
9011200	CIF	Al0.92 Ca0.43 Na0.07 O4 Si1.08	I -1	8.183; 12.883; 14.186 93.38; 115.87; 90.82	1341.96	Facchinelli, A.; Bruno, E.; Chiari, G. The structure of bytownite quenched from 1723 K Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: non-split model Note: T and O anisoB's from ICSD Acta Crystallographica, Section B, 1979, 35, 34-42
9011201	CIF	Al7.76 Ca3.44 Na0.56 O32 Si8.24	P -1	8.183; 12.883; 14.186 93.38; 115.87; 90.82	1341.96	Facchinelli, A.; Bruno, E.; Chiari, G. The structure of bytownite quenched from 1723 K Locality: satellite dyke, Traversella stock, Sesia Lanzo zone, Western Alps, Italy Sample: BytQ, P-1 model Acta Crystallographica, Section B, 1979, 35, 34-42
9011202	CIF	Bi54 Pb46 S127	P 1 21/m 1	189.8; 4.09; 74.06 90; 11.93; 90	11884.4	Matzat, E. Cannizzarite Locality: Vulcano, Italy Acta Crystallographica, Section B, 1979, 35, 133-136
9011203	CIF	Bi4 Te3	R -3 m :H	4.451; 4.451; 41.888 90; 90; 120	718.68	Yamana, K.; Kihara, K.; Matsumoto, T. Bismuth tellurides: BiTe and Bi4Te3 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1979, 35, 147-149
9011204	CIF	Bi Te	P -3 m 1	4.423; 4.423; 24.002 90; 90; 120	406.642	Yamana, K.; Kihara, K.; Matsumoto, T. Bismuth tellurides: BiTe and Bi4Te3 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1979, 35, 147-149
9011205	CIF	O5 Sb2	C 1 2/c 1	12.646; 4.782; 5.4247 90; 103.91; 90	318.429	Jansen, M. Die kristallstruktur von antimon(V)-oxid Acta Crystallographica, Section B, 1979, 35, 539-542
9011206	CIF	H O5 Pb V Zn	P n m a	7.593; 6.057; 9.416 90; 90; 90	433.049	Hawthorne, F. C.; Faggiani, R. Refinement of the structure of descloizite Note: anisoB's from ICSD Acta Crystallographica, Section B, 1979, 35, 717-720
9011207	CIF	H12 Mg N2 O12	P 1 21/c 1	6.194; 12.707; 6.6 90; 92.99; 90	518.76	Braibanti, A.; Tiripicchio, A.; Lanfredi, A. M. M.; Bigoli, F. The crystal structures of nitrates of divalent hexaquocations. II. Hexaquomagnesium nitrate Note: z(Wat2) corrected Acta Crystallographica, Section B, 1979, 35, 354-361
9011208	CIF	O21 S6 Sb2	P -1	6.644; 12.39; 9.678 92.69; 82.29; 96.88	783.412	Douglade, J.; Mercier, R. Structure cristalline du disulfate d'antimoine(III) Sb2(S2O7)3 Acta Crystallographica, Section B, 1979, 35, 1062-1067
9011209	CIF	H10 O10 S V	P 1 21/c 1	6.976; 9.716; 12.902 90; 110.9; 90	816.945	Tachez, M.; Theobald, F. R.; Watson, K. J.; Mercier, R. Redetermination de la structure du sulfate de vanadyle pentahydrate VOSO4*5H2O Locality: synthetic Note: anisoB's from ICSD Acta Crystallographica, Section B, 1979, 35, 1545-1550
9011210	CIF	Al2 O30 P2 U3	P 1 21/a 1	13.836; 20.918; 9.428 90; 112.44; 90	2522.05	Piret, P.; Piret-Meunier J; Declercq, J. P. Structure of phuralumite Acta Crystallographica, Section B, 1979, 35, 1880-1882
9011211	CIF	Cu Fe0.5 S4 Sn1.5	I 41/a :1	7.305; 7.305; 10.33 90; 90; 90	551.24	Jumas, J. C.; Philippot, E.; Maurin, M. Structure du rhodostannite synthetique Acta Crystallographica, Section B, 1979, 35, 2195-2197
9011213	CIF	Bi2 Hg S4	C 1 2/m 1	14.17; 4.06; 13.99 90; 118.27; 90	708.85	Mumme, W. G.; Watts, J. A. HgBi2S4: Crystal structure and relationship with the pavonite homologous series Locality: synthetic Acta Crystallographica, Section B, 1980, 36, 1300-1304
9011214	CIF	As O4 Sb	P 1 21/m 1	4.794; 6.925; 5.307 90; 93.55; 90	175.846	Jones, P. G.; Sheldrick, G. M.; Schwarzmann, E. Antimony(III) arsenic(V) oxide Acta Crystallographica, Section B, 1980, 36, 1923-1925
9011215	CIF	C4 H4 Cu Na2 O10	P -1	3.583; 9.649; 7.549 109.07; 76.38; 103.32	236.358	Chananont, P.; Nixon, P. E.; Waters, J. M.; Water, T. N. The structure of disodium catena-bis(mu-oxalato)-cuprate(II) dihydrate Acta Crystallographica, Section B, 1980, 36, 2145-2147
9011216	CIF	O2 Pb	P 42/m n m	4.9578; 4.9578; 3.3878 90; 90; 90	83.271	D'Antonio P; Santoro, A. Powder neutron diffraction study of chemically prepared B-lead dioxide Acta Crystallographica, Section B, 1980, 36, 2394-2397
9011217	CIF	O Sn	P 4/n m m :1	3.8029; 3.8029; 4.8382 90; 90; 90	69.97	Pannetier, J.; Denes, G. Tin(II) oxide: structure refinement and thermal expansion Acta Crystallographica, Section B, 1980, 36, 2763-2765
9011218	CIF	N2	P m -3 n	6.164; 6.164; 6.164 90; 90; 90	234.201	Cromer, D. T.; Mills, R. L.; Schiferl, D.; Schwalbe, L. A. The structure of N2 at 49 kbar and 299 K Sample: at T = 299 K and P = 4.9 GPa Note: model #4 Acta Crystallographica, Section B, 1981, 37, 8-11
9011219	CIF	Br1.012 Ca4.922 O11.965 P2.896	P 63/m	9.761; 9.761; 6.739 90; 90; 120	556.051	Elliott, J. C.; Dykes, E.; Mackie, P. E. Structure of bromapatite and the radius of the bromide ion Acta Crystallographica, Section B, 1981, 37, 435-438
9011220	CIF	Ca11 O18 S Si4	I -4 m 2	10.461; 10.461; 8.813 90; 90; 90	964.429	Dent Glasser, L. S.; Lee, C. K. The structure of jasmundite, Ca22(SiO4)8O4S2 Locality: Ettringer Feld lava flow, Bellerberg volcano, Mayen, Eifel, Germany Acta Crystallographica, Section B, 1981, 37, 803-806
9011221	CIF	C2 Na2 O4	P 1 21/c 1	3.449; 5.243; 10.375 90; 92.66; 90	187.41	Reed, D. A.; Olmstead, M. M. Sodium oxalate structure refinement Sample: T = 140 K Acta Crystallographica, Section B, 1981, 37, 938-939
9011222	CIF	Ca O3 Si	C -1	6.853; 11.895; 19.674 90.12; 90.55; 90	1603.68	Yamanaka, T.; Mori, H. The structure and polytypes of alpha-W CaSiO3 (pseudowollastonite) Acta Crystallographica, Section B, 1981, 37, 1010-1017
9011223	CIF	As3 Fe3 H24 O26 Zn2	C 1 m 1	11.415; 11.259; 8.661 90; 107.74; 90	1060.19	Ginderow, D.; Cesbron, F. Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1040-1043
9011224	CIF	C2 H10 Mg0.773 Mn3.684 O16 Zn2.543	A 1 2/a 1	16.408; 5.54; 15.15 90; 95.48; 90	1370.85	Hill, R. J. The structure of loseyite Note: AnisoU's from ICSD Acta Crystallographica, Section B, 1981, 37, 1323-1328
9011225	CIF	As3 Fe H10 O17	P 1 21/n 1	15.25; 19.6; 4.72 90; 91.8; 90	1410.11	Boudjada, A.; Guitel, J. C. Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O Locality: synthetic Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1402-1405
9011226	CIF	As0.185 Ca0.192 Fe0.348 H Mn5.772 O19 Si5 V0.815	P 1 21/n 1	6.712; 28.948; 7.578 90; 95.4; 90	1465.86	Gramaccioli, C. M.; Liborio, G.; Pilati, T. Structure of medaite, Mn6[VSi5O18(OH)]: The presence of a new kind of heteropolysilicate anion Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1972-1978
9011227	CIF	B Cl H4 Na2 O4	P 4/n m m :2	7.26; 7.26; 4.847 90; 90; 90	255.474	Effenberger, H. Verfeinerung der kristallstruktur von synthetischem teepleit Acta Crystallographica, Section B, 1982, 38, 82-85
9011228	CIF	Al13 Cl F4 H14 O34 Si5	F -4 3 m	13.8654; 13.8654; 13.8654 90; 90; 90	2665.61	Baur, W. H.; Ohta, T. The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Quartzsite, Arizona, USA Acta Crystallographica, Section B, 1982, 38, 390-401
9011229	CIF	Al13.25 Cl F4 H14 O34 Si4.75	F -4 3 m	13.8796; 13.8796; 13.8796 90; 90; 90	2673.81	Baur, W. H.; Ohta, T. The Si5O16 pentamer in zunyite refined and empirical relations for individual silicon-oxygen bonds Locality: Zuni Mine, Colorado, USA Sample: M9003 Acta Crystallographica, Section B, 1982, 38, 390-401
9011230	CIF	As2 O12 S3	P 1 21/c 1	9.389; 5.255; 19.355 90; 91.88; 90	954.446	Douglade, J.; Mercier, R. Structure cristalline et covalence des liaisons dans le sulfate d'arsenic(III), As2(SO4)3 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1982, 38, 720-723
9011231	CIF	As2 O6 S	P 21 21 2	4.628; 11.497; 4.776 90; 90; 90	254.122	Mercier, R.; Douglade, J. Affinement de la structure avec tunnels de paires E dans un oxysulfate d'arsenic: (As2O2)(SO4) Acta Crystallographica, Section B, 1982, 38, 896-898
9011232	CIF	C4 H16 Co N4 Na2 O8 S4	P 1 21/n 1	18.941; 19.209; 5.46 90; 91.64; 90	1985.74	Mereiter, K.; Preisinger, A. The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O Locality: synthetic Acta Crystallographica, Section B, 1982, 38, 1084-1088
9011233	CIF	Cu3 O8 V2	P -1	5.196; 5.355; 6.505 69.22; 88.69; 68.08	155.733	Coing-Boyat J Structure de la variete ordinaire, triclinique, de l'orthovanadate de cuivre(II), Cu3(VO4)2 Acta Crystallographica, Section B, 1982, 38, 1546-1548
9011234	CIF	As Bi O4	P 1 21/n 1	6.879; 7.159; 6.732 90; 104.84; 90	320.471	Bedlivy, D.; Mereiter, K. Structure of alpha-BiAsO4 (rooseveltite) Note: AnisoU's from ICSD Acta Crystallographica, Section B, 1982, 38, 1559-1561
9011235	CIF	As2 O9 S2	P 1 c 1	6.65; 6.671; 16.612 90; 94.34; 90	734.831	Mercier, R.; Douglade, J. Structure cristalline d'un oxysulfate d'arsenic(III) As2O(SO4)2 (ou As2O3*(SO3)2) Note: AnisoB's from ICSD Acta Crystallographica, Section B, 1982, 38, 1731-1735
9011236	CIF	S3 Sn2	P n m a	8.878; 3.751; 14.02 90; 90; 90	466.885	Kniep, R.; Mootz, D.; Severin, U.; Wunderlich, H. Structure of tin(II) tin(IV) trisulphide, a redetermination Acta Crystallographica, Section B, 1982, 38, 2022-2023
9011237	CIF	Bi H3 O6 S	P 1 21/n 1	6.021; 13.363; 6.495 90; 112.94; 90	481.25	Graunar, M.; Lazarini, F. Di-mu-hydroxo-bis[aquasulfatobismuth(III)] Locality: synthetic Acta Crystallographica, Section B, 1982, 38, 2879-2881
9011238	CIF	Bi2 H2 O7 S	P 1 21/c 1	7.692; 13.87; 5.688 90; 109.01; 90	573.745	Golic, L.; Graunar, M.; Lazarini, F. catena-Di-mu-hydroxo-mu3-oxo-dibismuth(III) sulfate Acta Crystallographica, Section B, 1982, 38, 2881-2883
9011239	CIF	As2 Ca3 H22 O19	P -1	12.563; 12.181; 6.205 88.94; 91.67; 113.44	870.796	Catti, M.; Ivaldi, G. On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals Acta Crystallographica, Section B, 1983, 39, 4-10
9011240	CIF	As2 Ca3 H20 O18	P -1	12.564; 12.169; 6.195 89.09; 79.69; 118.58	812.654	Catti, M.; Ivaldi, G. On the topotactic dehydration Ca3(AsO4)2*11H2O (phaunouxite) -> Ca3(AsO4)2*10H2O (rauenthalite), and the structures of both minerals Acta Crystallographica, Section B, 1983, 39, 4-10
9011241	CIF	Na O3 V	P n m a	14.147; 3.6496; 5.364 90; 90; 90	276.948	Kato, K.; Takayama, E. Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD Acta Crystallographica, Section B, 1984, 40, 102-105
9011242	CIF	C2 Cu Na2 O6	P 1 21/a 1	6.17; 8.171; 5.648 90; 116.24; 90	255.401	Maslen, E. N.; Spadaccini, N.; Watson, K. J. Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II) Acta Crystallographica, Section B, 1986, 42, 430-436
9011243	CIF	H12 Ni O10 S	P 41 21 2	6.783; 6.783; 18.288 90; 90; 90	841.414	Stadnicka, K.; Glazer, A. M.; Koralewski, M. Structure, absolute configuration and optical activity of alpha-nickel sulfate hexahydrate Locality: synthetic Note: y(O3) corrected to match reported bond lengths Acta Crystallographica, Section B, 1987, 43, 319-325
9011244	CIF	C10 H22 O3	F d d 2	18.421; 22.791; 10.912 90; 90; 90	4581.22	Marsh, E. R.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011245	CIF	C3 H3.5 N	F d d 2	13.635; 26.353; 6.089 89.87; 90; 90	2187.91	Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011246	CIF	C7 H10 S2	F d d 2	11.419; 41.077; 6.626 90; 90; 90	3107.98	Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011247	CIF	C11 H8 Ce N18 O19	C 1 2/c 1	16.05; 13.14; 16.631 90; 108.1; 90	3333.86	Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011248	CIF	C19 H9	P 1 21/a 1	31.276; 3.7818; 21.663 90; 124.22; 90	2118.72	Marsh, R. E.; Herbstein, F. H. More space group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011249	CIF	As2 O9 S2	P 1 21/c 1	6.65; 6.671; 16.612 90; 94.34; 90	734.831	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011250	CIF	F7 Ho2 K	C 1 2/m 1	14.287; 8.004; 11.95 90; 125.33; 90	1114.85	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011251	CIF	C16 H25 N O	C 1 2/c 1	24.28; 8.76; 14.03 90; 108; 90	2838.03	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011252	CIF	As3 Cd2 I	C 1 2/c 1	8.436; 9.594; 7.952 90; 100.65; 90	632.509	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011253	CIF	C2 Br2 O Tl	C m c m	10.31; 8.56; 15.55 90; 90; 90	1372.34	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011254	CIF	C12 Cl3 Cr2 F2 N8 O14	P -1	10.71; 9.047; 8.785 111.25; 100.44; 86.6	780.18	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011255	CIF	C6 H13 I S	P n a m	18.038; 6.611; 7.42 90; 90; 90	884.829	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011256	CIF	C24 H2 N2 O5	C 1 2/c 1	18.943; 11.318; 24.376 90; 94.5; 90	5210.03	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011257	CIF	Er2 F7 K	P n a m	11.82; 13.333; 7.816 90; 90; 90	1231.77	Marsh, R. E.; Herbstein, F. H. More space-group changes Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011258	CIF	Ag0.1 Au0.9 Te2	C 1 2/m 1	7.1947; 4.4146; 5.0703 90; 90.038; 90	161.041	Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K Acta Crystallographica, Section B, 1988, 44, 486-494
9011259	CIF	Ag0.1 Au0.9 Te2	C 1 2/m 1	7.182; 4.402; 5.056 90; 89.99; 90	159.846	Schutte, W. J.; de Boer, J. L. Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 100 K Acta Crystallographica, Section B, 1988, 44, 486-494
9011260	CIF	Mg2 O4 Ti	P 41 2 2	5.9748; 5.9748; 8.414 90; 90; 90	300.365	Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 773 K Acta Crystallographica, Section B, 1989, 45, 542-549
9011261	CIF	Mg O3 Ti	R -3 :H	5.05478; 5.05478; 13.8992 90; 90; 120	307.557	Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Acta Crystallographica, Section B, 1989, 45, 542-549
9011262	CIF	Mg0.999 O5 Ti2.001	B b m m	9.7289; 10.0057; 3.7416 90; 90; 90	364.224	Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K Acta Crystallographica, Section B, 1989, 45, 542-549
9011263	CIF	Mg O5 Ti2	B b m m	9.7492; 9.9896; 3.746 90; 90; 90	364.825	Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 1773 Acta Crystallographica, Section B, 1989, 45, 542-549
9011264	CIF	D12 Ni O10 S	P 43 21 2	6.7803; 6.7803; 18.288 90; 90; 90	840.744	McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I. Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: neutron refinement Note: anisoU's from ICSD Acta Crystallographica, Section B, 1990, 46, 27-39
9011265	CIF	H12 Ni O10 S	P 43 21 2	6.7803; 6.7803; 18.288 90; 90; 90	840.744	McIntyre, G. J.; Ptasiewicz-Bak H; Olovsson, I. Bonding deformation and superposition effects in the electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O Sample: X-ray refinement Acta Crystallographica, Section B, 1990, 46, 27-39
9011266	CIF	Ca4 H120 Na3 O252 Si85	P n m a	20.078; 19.894; 13.372 90; 90; 90	5341.2	van Koningsveld, H. High-temperature (350 K) orthorhombic framework structure of zeolite H-ZSM-5 Note: anisotropic thermal parameters obtained from ICSD Acta Crystallographica, Section B, 1990, 46, 731-735
9011267	CIF	C14 H10	P 1 21 1	8.441; 6.14; 9.438 90; 97.96; 90	484.437	Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Locality: synthetic Acta Crystallographica, Section B, 1990, 46, 830-832
9011268	CIF	Bi12.5 Fe0.5 O19.48	I 2 3	10.184; 10.184; 10.184 90; 90; 90	1056.22	Radaev, S. F.; Muradyan, L. A.; Simonov, V. I. Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1991, 47, 1-6
9011269	CIF	Bi12.672 O19.32 Zn0.33	I 2 3	10.207; 10.207; 10.207 90; 90; 90	1063.39	Radaev, S. F.; Muradyan, L. A.; Simonov, V. I. Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD Note: z(Bi) corrected Acta Crystallographica, Section B, 1991, 47, 1-6
9011270	CIF	Al11 Na1.221 O17.111	P 63/m m c	5.5929; 5.5929; 22.526 90; 90; 120	610.223	Edstrom, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Sample: y = 0 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1991, 47, 635-643
9011271	CIF	Al11 Cd0.105 Na1.008 O17.111	P 63/m m c	5.5921; 5.5921; 22.526 90; 90; 120	610.049	Edstrom, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Sample: y = .21 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1991, 47, 635-643
9011272	CIF	Al11 Cd0.222 Na0.774 O17.111	P 63/m m c	5.5906; 5.5906; 22.519 90; 90; 120	609.532	Edstrom, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Locality: synthetic Note: anisoB's from ICSD Sample: y = .45 Acta Crystallographica, Section B, 1991, 47, 635-643
9011273	CIF	Al11 Cd0.615 O17.111	P 63/m m c	5.5869; 5.5869; 22.37 90; 90; 120	604.698	Edstrom, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina Note: anisoB's from ICSD Sample: y = 1.22 Acta Crystallographica, Section B, 1991, 47, 635-643
9011274	CIF	K O5 P Ti	P n a 21	12.8209; 6.4052; 10.5932 90; 90; 90	869.918	Hansen, N. K.; Protas, J.; Marnier, G. The electron-density distribution in KTiOPO4 Acta Crystallographica, Section B, 1991, 47, 660-672
9011275	CIF	Ag Cu S	C m c 21	4.059; 6.617; 7.967 90; 90; 90	213.981	Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 298 K Acta Crystallographica, Section B, 1991, 47, 891-899
9011276	CIF	Ag Cu S	P m c 21	4.047; 6.592; 7.93 90; 90; 90	211.555	Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 120 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899
9011277	CIF	Ag Cu S	P m c 21	4.0431; 6.591; 7.9149 90; 90; 90	210.917	Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 13 K Note: dimorphic with stromeyerite Acta Crystallographica, Section B, 1991, 47, 891-899
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
9011296	CIF	Fe4 H2 K2 Mg2 Na2 O15 Si4 Ti	P 1	10.37; 23.129; 5.322 90; 99.55; 90	1258.78	Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y. Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia Acta Crystallographica, Section B, 1998, 54, 109-114
9011298	CIF	H34 O40 U8	P b c n	14.6861; 13.9799; 16.7063 90; 90; 90	3429.97	Weller, M. T.; Light, M. E.; Gelbrich, T. Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K Acta Crystallographica, Section B, 2000, 56, 577-583
9011299	CIF	Al3 H21.52 N2.38 Na0.26 O20.64 Si5	P 1 21/m 1	10.0507; 14.2016; 8.7281 90; 125.123; 90	1018.97	Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1 Acta Crystallographica, Section B, 2000, 56, 584-593
9011300	CIF	Al2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8	P 1 21/m 1	10.0122; 14.1943; 8.7284 90; 125.024; 90	1015.82	Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2 Acta Crystallographica, Section B, 2000, 56, 584-593
9011301	CIF	Al1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1	P 1 21/m 1	9.9596; 14.2015; 8.7051 90; 124.99; 90	1008.71	Gualtieri, A. F. Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3 Acta Crystallographica, Section B, 2000, 56, 584-593
9011304	CIF	C Na2 O3	C 1 2/m 1	8.92; 5.245; 6.05 90; 101.35; 90	277.516	Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V. Sodium carbonate revisited Sample: Gamma phase, T = 295 K Acta Crystallographica, Section B, 2003, 59, 337-352
9011305	CIF	C Na2 O3	C 1 2/m 1	8.898; 5.237; 5.996 90; 101.87; 90	273.432	Dusek, M.; Chapuis, G.; Meyer, M.; Petricek, V. Sodium carbonate revisited Sample: Delta phase, T = 110 K Acta Crystallographica, Section B, 2003, 59, 337-352
9011308	CIF	Ag12.226 As1.192 Cu3.772 S11 Sb0.808	P -3 m 1	7.389; 7.389; 11.816 90; 90; 120	558.692	Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K Acta Crystallographica, Section B, 2006, 62, 212-219
9011309	CIF	Ag13.646 As1.179 Cu2.966 S11 Sb0.821	P -3 m 1	7.3721; 7.3721; 11.8104 90; 90; 120	555.876	Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 120 K Acta Crystallographica, Section B, 2006, 62, 212-219
9011310	CIF	Ag13.032 As1.18 Cu2.968 S11 Sb0.82	P -3 m 1	7.3876; 7.3876; 11.8882 90; 90; 120	561.893	Bindi, L.; Evain, M.; Menchetti, S. Temperature dependence of the silver distribution in the crystal structure of natural pearcite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 300 K Acta Crystallographica, Section B, 2006, 62, 212-219
9011311	CIF	Na O3.5 Si1.5	C 1 2/c 1	20.416; 6.4987; 4.9294 90; 90.26; 90	654.014	Kruger, H.; Kahlenberg, V.; Friese, K. Na2Si3O7: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal Acta Crystallographica, Section B, 2006, 62, 440-446
9011312	CIF	Ag29.629 Cu2.371 S22 Sb4	C 1 2/c 1	26.188; 15.1199; 23.784 90; 90; 90	9417.51	Evain, M.; Bindi, L.; Menchetti, S. Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 100 K Sample: polytype 222 Acta Crystallographica, Section B, 2006, 62, 447-456
9011313	CIF	Ag29.04 Cu2.96 S22 Sb4	P 3 2 1	15.0954; 15.0954; 11.8825 90; 90; 120	2344.92	Evain, M.; Bindi, L.; Menchetti, S. Structural compexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11 Sample: T = 120 K Sample: polytype 221 Acta Crystallographica, Section B, 2006, 62, 447-456
9011314	CIF	H2 Ni O2	P -3 m 1	3.12; 3.12; 4.61 90; 90; 120	38.863	Ramesh, T. N.; Kamath, P. V.; Shivakumara, C. Classification of stacking faults and their stepwise elemination during the disorder -> order transformation of nickel hydroxide Acta Crystallographica, Section B, 2006, 62, 530-536
9011315	CIF	Ca2 Co0.9 O7 Si2 Zn0.1	P -4	23.518; 23.518; 5.0263 90; 90; 90	2780.03	Jia, Z. H.; Schaper, A. K.; Massa, W.; Treutmann, W.; Rager, H. Structure and phase transitions in Ca2CoSi2O7-Ca2ZnSi2O7 solid-solution crystals Acta Crystallographica, Section B, 2006, 62, 547-555
9011317	CIF Paper	Ag16.08 As0.34 Cu1.84 S8.34 Sb1.66 Se2.66	P -3 m 1	7.595; 7.595; 12.0731 90; 90; 120	603.122	Evain, M.; Bindi, L.; Menchetti, S. Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~] Acta Crystallographica Section B, 2006, 62, 768-774
9011318	CIF Paper	Ag14.691 Cu1.309 S8.37 Sb2 Se2.63	P 1 21/c 1	13.1426; 7.5879; 23.729 90; 90; 90	2366.37	Evain, M.; Bindi, L.; Menchetti, S. Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)~6~(Sb,As)~2~(S,Se)~7~][Ag~9~Cu(S,Se)~2~Se~2~] Acta Crystallographica Section B, 2006, 62, 768-774
9011319	CIF	Cu0.298 Pb0.95 S3.36 Sb0.408 Sn0.851	C -1	3.6661; 6.3138; 11.9028 92.49; 90.59; 89.986	275.24	Evain, M.; Petricek, V.; Moelo, Y.; Maurel, C. First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals Acta Crystallographica, Section B, 2006, 62, 775-789
9011321	CIF	Cl2 Cu3 H6 Mg O6	P -3 m 1	6.2733; 6.2733; 5.7472 90; 90; 120	195.875	Malcherek, T.; Schluter, J. Cu3MgCl2(OH)6 and the bond-valence parameters of the OH-Cl bond Acta Crystallographica, Section B, 2007, 63, 157-160
9011322	CIF	Cl H6 Mg0.5 O2	C m c m	4.21616; 11.023; 7.2951 90; 90; 90	339.038	Sugimoto, K.; Dinnebier, R. E.; Hanson, J. C. Structures of three dehydration products of bischofite from in situ synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4) Acta Crystallographica, Section B, 2007, 63, 235-242
9011327	CIF	K0.778 Mg0.388 O8 Ti3.612	I 4/m	10.1541; 10.1541; 2.9735 90; 90; 90	306.585	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 1 Acta Crystallographica, Section B, 2007, 63, 577-583
9011328	CIF	K0.774 Mg0.384 O8 Ti3.616	I 4/m	10.1541; 10.1541; 2.9735 90; 90; 90	306.585	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 2 Acta Crystallographica, Section B, 2007, 63, 577-583
9011329	CIF	K0.765 Mg0.383 O8 Ti3.617	I 4/m	10.1541; 10.1541; 2.9735 90; 90; 90	306.585	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 3 Acta Crystallographica, Section B, 2007, 63, 577-583
9011330	CIF	K0.77 Mg0.385 O8 Ti3.615	I 4/m	10.1541; 10.1541; 2.9735 90; 90; 90	306.585	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 4 Acta Crystallographica, Section B, 2007, 63, 577-583
9011331	CIF	Mg0.377 O8 Rb0.754 Ti3.623	I 4/m	10.2052; 10.2052; 2.9717 90; 90; 90	309.491	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 5 Acta Crystallographica, Section B, 2007, 63, 577-583
9011332	CIF	Mg0.377 O8 Rb0.754 Ti3.623	I 4/m	10.2052; 10.2052; 2.9717 90; 90; 90	309.491	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 6 Acta Crystallographica, Section B, 2007, 63, 577-583
9011333	CIF	Mg0.375 O8 Rb0.751 Ti3.625	I 4/m	10.2052; 10.2052; 2.9717 90; 90; 90	309.491	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 7 Acta Crystallographica, Section B, 2007, 63, 577-583
9011334	CIF	Mg0.376 O8 Rb0.751 Ti3.624	I 4/m	10.2052; 10.2052; 2.9717 90; 90; 90	309.491	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 8 Acta Crystallographica, Section B, 2007, 63, 577-583
9011335	CIF	Mg0.378 O8 Rb0.756 Ti3.622	I 4/m	10.2052; 10.2052; 2.9717 90; 90; 90	309.491	Michiue, Y. Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 9 Acta Crystallographica, Section B, 2007, 63, 577-583
9011338	CIF	Al7 Ca6 O16.348	I -4 3 d	12.0449; 12.0449; 12.0449 90; 90; 90	1747.47	Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Sample: T = 1223 K Acta Crystallographica, Section B, 2007, 63, 675-682
9011379	CIF	Cl5 Fe H2 K2 O	P n m a	13.452; 9.631; 7.003 90; 90; 90	907.282	Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K Acta Crystallographica, Section B, 1995, 51, 43-47
9011380	CIF	Cl5 Fe H2 K2 O	P n m a	13.391; 9.648; 6.942 90; 90; 90	896.881	Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K Acta Crystallographica, Section B, 1995, 51, 43-47
9013161	CIF	Fe4 H4 K2 Mg2 Na2 O30 Si8 Ti2	A 1 2 1	10.37; 23.129; 5.322 90; 99.55; 90	1258.78	Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y. Structure Refinement of Monoclinic Astrophyllite Acta Crystallographica Section B, 1998, 54, 109-114
9013392	CIF	Mo Ni P	P -6 2 m	5.861; 5.861; 3.704 90; 90; 120	110.191	Guerin, R.; Sergent, M. Structure cristalline de NiMoP Localite: synthetic Acta Crystallographica, Section B, 1977, 33, 2820-2823
9013393	CIF	O2 Si	F 1	9.932; 17.216; 81.864 90; 90; 90	13997.9	Konnert, J. H.; Appleman, D. E. The crystal structure of low tridymite Acta Crystallographica, Section B, 1978, 34, 391-403
9013394	CIF	Sb	R -3 m :H	4.214; 4.214; 10.569 90; 90; 120	162.538	Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.3 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810
9013395	CIF	Sb	R -3 m :H	4.21; 4.21; 10.53 90; 90; 120	161.63	Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 6.8 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810
9013396	CIF	Sb	R -3 m :H	4.198; 4.198; 10.485 90; 90; 120	160.024	Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.15 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810
9013397	CIF	Sb	R -3 m :H	4.196; 4.196; 10.455 90; 90; 120	159.414	Schiferl, D.; Cromer, D. T.; Jamieson, J. C. Structure determinations on Sb up to 85 x 10^2 MPa Sample: at P = 7.7 GPa Note: known as the A7 rhombohedral-type structure Acta Crystallographica, Section B, 1981, 37, 807-810
9013398	CIF	Mg2 O4 Ti	F d -3 m :2	8.4376; 8.4376; 8.4376 90; 90; 90	600.699	Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 973 K Acta Crystallographica, Section B, 1989, 45, 542-549
9013890	CIF	B2 Cu O4	I -4 2 d	11.484; 11.484; 5.62 90; 90; 90	741.178	Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S The crystal structure of copper metaborate, CuB2O4 Acta Crystallographica, Section B, 1971, 27, 677-681
9013891	CIF	Ba Cl F	P 4/n m m :2	4.3939; 4.3939; 7.2248 90; 90; 90	139.485	Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787
9013892	CIF	Cl F Sr	P 4/n m m :2	4.1259; 4.1259; 6.9579 90; 90; 90	118.445	Sauvage, M. Refinement of the structures of SrFCl and BaFCl Note: matlockite structure Acta Crystallographica, Section B, 1974, 30, 2786-2787
9013893	CIF	Al3.88 Ge4.12 K0.76 Na3.12 O16	P 63	10.164; 10.164; 8.54 90; 90; 120	764.043	Hammond, R. P.; Barbier, J. Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Note: hexagonal nepheline Acta Crystallographica, Section B, 1998, 54, 211-220
9014079	CIF	Fe3 H20 K5 O35 S6	P 1 21/c 1	9.491; 18.474; 18.109 90; 92.38; 90	3172.43	Mereiter, K.; Vollenkle, H. Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des Masschen Salzes Acta Crystallographica, Section B, 1978, 34, 378-384
9014118	CIF	Na Nb O3	P b m a	5.566; 15.52; 5.506 90; 90; 90	475.632	Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D. The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures Acta Crystallographica, Section B, 1969, 25, 851-865
9014162	CIF	O3 Sn Sr	P b n m	5.707; 5.707; 8.064 90; 90; 90	262.643	Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172
9014175	CIF	O2 Pb	P 42/m n m	4.9577; 4.9577; 3.3879 90; 90; 90	83.27	Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380
9014308	CIF	Al6 Ca8.5 Na O18	P b c a	10.875; 10.859; 15.105 90; 90; 90	1783.77	Nishi, F.; Takeuchi, Y. The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18 Acta Crystallographica, Section B, 1975, 31, 1169-1173
9014330	CIF	Hg I2	P 42/n m c :2	4.365; 4.365; 12.389 90; 90; 90	236.05	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014372	CIF	Al6 B3 F Fe3 Na O30 Si6	R 3 m :H	15.869; 15.869; 7.188 90; 90; 120	1567.61	Barton, R. Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines Acta Crystallographica, Section B, 1969, 25, 1524-1533
9014392	CIF	Ca N2 O10	P 1 21/n 1	6.277; 9.157; 14.484 90; 98.6; 90	823.158	Ribar, B.; Divjakovic, V.; Herak, R.; Prelesnik, B. A new crystal structure study of Ca(NO3)2*(H2O) Acta Crystallographica, Section B, 1973, 29, 1546-1548
9014425	CIF	Al4 Ca O7	C 1 2/c 1	12.8398; 8.8624; 5.4311 90; 106.83; 90	591.542	Goodwin, D. W.; Lindop, A. J. The crystal structure of CaO.2Al2O3 Acta Crystallographica, Section B, 1970, 26, 1230-1235
9014434	CIF	Hg I2	P 42/n m c :2	4.359; 4.359; 12.319 90; 90; 90	234.072	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014462	CIF	Hg I2	P 42/n m c :2	4.358; 4.358; 12.306 90; 90; 90	233.718	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014545	CIF	C H K O3	P 1 21/a 1	15.1725; 5.6283; 3.711 90; 104.631; 90	306.626	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014580	CIF	Cu O	C 1 2/c 1	4.6837; 3.4226; 5.1288 90; 99.54; 90	81.08	Asbrink, S.; Norrby, L. J. A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s Acta Crystallographica, Section B, 1970, 26, 8-15
9014630	CIF	Mn2 O4 Si	P b n m	4.9023; 10.5964; 6.2567 90; 90; 90	325.015	Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518
9014655	CIF	Hg I2	P 42/n m c :2	4.37; 4.37; 12.437 90; 90; 90	237.508	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9014660	CIF	C D K O3	P 1 21/a 1	15.1948; 5.6307; 3.7107 90; 104.567; 90	307.272	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014704	CIF	Cl Cu2 H3 O3	P 1 21/n 1	6.1675; 6.8327; 9.1517 90; 99.492; 90	380.379	Malcherek, T.; Schluter, J. Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1 Acta Crystallographica, Section B, 2009, 65, 334-341
9014807	CIF	Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291	R -3 m :R	9.421; 9.421; 9.421 94.2; 94.2; 94.2	829.077	Calligaris, M.; Nardin, G.; Randaccio, L. Cation-site location in a natural chabazite Acta Crystallographica, Section B, 1982, 38, 602-605
9014844	CIF	C D K O3	P 1 21/a 1	15.17; 5.6183; 3.6885 90; 104.297; 90	304.633	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9014907	CIF	C2 H5 N O	R 3 c :H	11.513; 11.513; 12.883 90; 90; 120	1478.85	Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299
9015024	CIF	Mg0.125 O1.872 Zr0.875	F m -3 m	5.0858; 5.0858; 5.0858 90; 90; 90	131.546	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 3, O displaced along [111] Acta Crystallographica, Section B, 1988, 44, 116-120
9015028	CIF	B F4 H4 N	P n m a	9.077; 5.679; 7.279 90; 90; 90	375.22	Caron, A. P.; Ragle, J. L. Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4 Acta Crystallographica, Section B, 1971, 27, 1102-1107
9015117	CIF	O0.984 Y0.065 Zr0.935	P 42/n m c	3.6055; 3.6055; 5.1797 90; 90; 90	67.334	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120
9015119	CIF	N4 O14 P2 Te	P -1	11.51; 6.484; 6.329 118.15; 105.8; 84.36	400.48	Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447
9015122	CIF	Bi2 Pb3 S6	B b m m	13.535; 20.451; 4.104 90; 90; 90	1136.01	Takagi, J.; Takeuchi, Y. The crystal structure of lillianite Acta Crystallographica, Section B, 1972, 28, 649-651
9015312	CIF	As2 Ca H4 O8	P -1	8.558; 7.697; 5.721 92.35; 109.52; 109.59	329.621	Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2 Acta Crystallographica, Section B, 1972, 28, 2430-2437
9015318	CIF	Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88	P 4/m c c	7.58; 7.58; 14.77 90; 90; 90	848.631	Prichard, P.; Perrault, G. Structure cristalline de l'ekanite de St-Hilaire, P.Q. Acta Crystallographica, Section B, 1972, 28, 1994-1999
9015332	CIF	Hg I2	P 42/n m c :2	4.358; 4.358; 12.3 90; 90; 90	233.604	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9015404	CIF	Ca O3 Sn	P b n m	5.532; 5.681; 7.906 90; 90; 90	248.464	Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172
9015414	CIF	Hg I2	P 42/n m c :2	4.3675; 4.3675; 12.47 90; 90; 90	237.866	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835
9015434	CIF	Mg0.125 O1.872 Zr0.875	F m -3 m	5.0858; 5.0858; 5.0858 90; 90; 90	131.546	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 2, O displaced along [100] Acta Crystallographica, Section B, 1988, 44, 116-120
9015520	CIF	Ca17 N34 O122.96	P 63/m	13.226; 13.226; 32.37 90; 90; 120	4903.77	Leclaire, A. Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 Acta Crystallographica, Section B, 1976, 32, 1950-1953
9015643	CIF	Mg0.096 O1.904 Zr0.904	F m -3 m	5.0858; 5.0858; 5.0858 90; 90; 90	131.546	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced Acta Crystallographica, Section B, 1988, 44, 116-120
9015662	CIF	O2 Ti	P 42/m n m	4.5937; 4.5937; 2.9587 90; 90; 90	62.435	Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468
9015676	CIF	As H O5 Zn2	P -1	5.638; 5.827; 6.692 103.25; 104.37; 87.72	207.268	Hawthorne, F. C. Paradamite Acta Crystallographica, Section B, 1979, 35, 720-722
9015698	CIF	Al6.5 Ca5 Mg0.75 O17 Si0.75	P m m n :2	27.638; 10.799; 5.123 90; 90; 90	1529.03	Hanic, F.; Handlovic, M.; Kapralik, I. The structure of a quaternary phase Ca20Al32-2vMgvSivO68 Acta Crystallographica, Section B, 1980, 36, 2863-2869
9015723	CIF	Hg I2	P 42/n m c :2	4.36; 4.36; 12.337 90; 90; 90	234.521	Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835
9015753	CIF	Al Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12	C 1 2/c 1	16.526; 10.057; 24.73 90; 105.78; 90	3955.27	Merlino, S.; Mellini, M.; Zanazzi, P. F. Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 Acta Crystallographica, Section B, 1981, 37, 1733-1736
9015780	CIF	Ba Cr2 O11 P	P -1	9.333; 7.779; 7.526 106.28; 105.37; 94.14	499.356	Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435
9015889	CIF	Ca Cl2 H8 O4	P -1	6.5932; 6.3673; 8.5606 97.83; 93.5; 110.58	331.003	Leclaire, A.; Borel, M. M. Liaisons hydrogene et coordination du calcium dans les cristaux de CaCl2*4H2O alpha Acta Crystallographica, Section B, 1979, 35, 585-588
9015929	CIF	O2 Ti	I 41/a m d :1	3.7845; 3.7845; 9.5143 90; 90; 90	136.268	Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468
9015981	CIF	Ca O8 Ti Zr2.5	I 41/a c d :2	15.2203; 15.2203; 10.1224 90; 90; 90	2344.93	Rossell, H. J. Calzirtite - A fluorite-related superstructure Acta Crystallographica, Section B, 1982, 38, 593-595
9016039	CIF	C H K O3	P 1 21/a 1	15.115; 5.6044; 3.6609 90; 103.98; 90	300.931	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Note z-coordinate of O3 has been modified with a negative sign Acta Crystallographica, Section B, 1974, 30, 1155-1166
9016041	CIF	Li O8 Ta3	C 1 2/c 1	9.41; 11.521; 5.0506 90; 91.108; 90	547.446	Santoro, A.; Roth, R. S.; Minor, D. Neutron powder diffraction study of the intermediate-temperature form of lithium tantalate Acta Crystallographica, Section B, 1977, 33, 3945-3947
9016078	CIF	N O12 P4 Pr	C 1 2/c 1	7.916; 12.647; 10.672 90; 110.34; 90	1001.79	Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 Acta Crystallographica, Section B, 1977, 33, 630-632
9016142	CIF	Na2 O11 P Te	P 63	5.908; 5.908; 15.09 90; 90; 120	456.143	Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447
9016168	CIF	N2 O13 P4 Si	P -1	15.14; 7.684; 4.861 97.86; 96.74; 83.89	553.971	Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine Acta Crystallographica, Section B, 1976, 32, 2957-2960
9016304	CIF	C H K O3	P 1 21/a 1	15.1538; 5.6186; 3.6868 90; 104.356; 90	304.104	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9016325	CIF	H8 O10 P U	P 4/n c c :2	6.995; 6.995; 17.491 90; 90; 90	855.835	Morosin, B. Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte Acta Crystallographica, Section B, 1978, 34, 3732-3734
9016385	CIF	Mg2 O4 Si	P b n m	4.7534; 10.1902; 5.9783 90; 90; 90	289.577	Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518
9016407	CIF	Ba Cr2 O13 P	P -1	10.189; 8.207; 7.749 108.8; 107.14; 89.04	583.971	Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435
9016492	CIF	Ge O2	P 42/m n m	4.4066; 4.4066; 2.8619 90; 90; 90	55.573	Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380
9016495	CIF	Ca Fe0.12 Mg0.88 O4 Si	P n m a	11.1098; 6.3894; 4.8281 90; 90; 90	342.722	Pilati, T.; Demartin, F.; Gramaccioli, C. M. Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Acta Crystallographica, Section B, 1995, 51, 721-733
9016501	CIF	C D K O3	P 1 21/a 1	15.1311; 5.6054; 3.6644 90; 103.953; 90	301.629	Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 95 K Acta Crystallographica, Section B, 1974, 30, 1155-1166
9016581	CIF	As Fe H4 O6	P c a b	8.937; 10.278; 9.996 90; 90; 90	918.177	Hawthorne, F. C. The hydrogen positions in scorodite Acta Crystallographica, Section B, 1976, 32, 2891-2892
9016626	CIF	Fe H10 N O11 S2	P 1 21/c 1	9.982; 10.156; 9.504 90; 94.95; 90	959.895	Palmer, K. J.; Wong, R. Y.; Lee, K. S. The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2*3H2O Note: y-coordinate of O10 altered to reproduce reported bond lengths Acta Crystallographica, Section B, 1972, 28, 236-241
9016633	CIF	H1.333 Mg1.333 O5 S	I 41/a m d :2	5.242; 5.242; 12.995 90; 90; 90	357.084	Keefer, K. D.; Hochella, Jr, M. F.; de Jong, B. H. W. S. The structure of the magnesium hydroxide sulfate hydrate MgSO4.1/3Mg(OH)2.1/3H2O Acta Crystallographica, Section B, 1981, 37, 1003-1006
9016662	CIF	Ag4 Mn S6 Sb2	P 1 21/n 1	10.31; 8.07; 6.62 90; 92.68; 90	550.193	Hruskova, J.; Synecek, V. The crystal structure of samsonite, 2 Ag2S*MnS*Sb2S3 Acta Crystallographica, Section B, 1969, 25, 1004-1006
9016666	CIF	H2.3 Mg5 O10 Si2	P 21/b 1 1	4.752; 10.35; 7.914 108.71; 90; 90	368.666	Yamamoto, K. The crystal structure of hydroxyl-chondrodite Acta Crystallographica, Section B, 1977, 33, 1481-1485
9016702	CIF	Cu5 Li2 O14 Si4	P -1	7.404; 7.754; 5.455 90.52; 106.27; 114.64	270.4	Kawamura, K.; Kawahara, A.; Iiyama, J. T. The crystal structure of Li2Cu5(Si2O7)2 and the proposal of new values for the effective iconic radii of Cu2+ Acta Crystallographica, Section B, 1978, 34, 3181-3185
9016714	CIF	O2 Zr	P 1 21/c 1	5.1505; 5.2116; 5.3173 90; 99.23; 90	140.881	Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120
9017294	CIF	H16 Mg N O10 P	P m n 21	6.941; 6.137; 11.199 90; 90; 90	477.043	Whitaker, A.; Jeffery, J. W. The crystal structure of struvite, MgNH4PO4*6H2O Acta Crystallographica, Section B, 1970, 26, 1429-1440
9017295	CIF	Ca Cl2 O4	P -1	6.593; 6.364; 8.557 97.77; 93.52; 110.56	330.776	Thewalt, U.; Bugg, C. E. Crystal structure of calcium chloride tetrahydrate Acta Crystallographica, Section B, 1973, 29, 615-617
9017296	CIF	H6 O8 S V	P 1 21/c 1	7.411; 7.439; 12.272 90; 108.9; 90	640.084	Theobald, F.; Galy, J. Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite Acta Crystallographica, Section B, 1973, 29, 2732-2736
9017297	CIF	Ca O4 S	B m m b	6.992; 6.999; 6.24 90; 90; 90	305.367	Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S. Anhydrite: a refinement Acta Crystallographica, Section B, 1975, 31, 2164-2165
9017298	CIF	O2 Si	C 1 c 1	18.494; 4.991; 25.832 90; 117.75; 90	2110.15	Kato, V. K.; Nukui, A. Die kristallstruktur des monoklinen tief-tridymits Acta Crystallographica, Section B, 1976, 32, 2486-2491
9017299	CIF	Al0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06	C -1	8.567; 12.98; 7.2 90.07; 116.03; 89.75	719.417	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P17C Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017300	CIF	Al0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05	C -1	8.564; 12.984; 7.201 90.13; 116.02; 89.53	719.53	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample A1D Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017301	CIF	Al0.99 K0.94 Na0.06 O8 Si3.01	C -1	8.56; 12.984; 7.209 90.28; 116.03; 89.03	719.851	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1B Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017302	CIF	Al0.95 K0.94 Na0.06 O8 Si3.05	C -1	8.574; 12.962; 7.21 90.35; 116.03; 88.8	719.85	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P1C Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017303	CIF	Al0.99 K0.92 Na0.08 O8 Si3.01	C -1	8.567; 12.97; 7.221 90.43; 116; 88.48	720.89	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample RC20C Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017304	CIF	Al1.01 K0.94 Na0.06 O8 Si2.99	C -1	8.561; 12.972; 7.223 90.56; 115.93; 87.92	720.894	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1E Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017305	CIF	Al1.01 K0.94 Na0.06 O8 Si2.99	C -1	8.589; 13.013; 7.197 90; 116.02; 90	722.866	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2B Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017306	CIF	Al0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03	C -1	8.583; 12.988; 7.202 90; 116.05; 90	721.29	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2A Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017307	CIF	Al1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995	C -1	8.563; 12.99; 7.21 90; 115.93; 90	721.255	Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1A Acta Crystallographica, Section B, 1978, 34, 2699-2707
9017308	CIF	H Na3 O8 S2	P 1 21/c 1	8.648; 9.648; 9.143 90; 108.77; 90	722.284	Catti, M.; Ferraris, G.; Ivaldi, G. A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 and S-OH vs O-H...O correlation Acta Crystallographica, Section B, 1979, 35, 525-529
9017310	CIF	Fe H6 O6 S	P 1 21/n 1	6.604; 8.693; 8.714 90; 96.05; 90	497.472	Johansson, L. G.; Lindqvist, O. The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O Acta Crystallographica, Section B, 1979, 35, 1017-1020
9017311	CIF	Cl4 K2 Zn	P n a 21	26.778; 12.402; 7.256 90; 90; 90	2409.72	Mikhail, I.; Peters, K. The structure of potassium tetrachlorozincate Acta Crystallographica, Section B, 1979, 35, 1200-1201
9017312	CIF	Ca O4 S	A m m a	7.006; 6.998; 6.245 90; 90; 90	306.18	Kirfel, A.; Will, G. Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements Acta Crystallographica, Section B, 1980, 36, 2881-2890
9017313	CIF	Ca H4 O6 S	I 1 2/c 1	5.679; 15.202; 6.522 90; 118.43; 90	495.153	Pedersen, B. F.; Semmingsen, D. Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O Acta Crystallographica, Section B, 1982, 38, 1074-1077
9017314	CIF	Be	P 63/m m c	2.2853; 2.2853; 3.5842 90; 90; 120	16.211	Larsen, F. K.; Hansen, N. K. Diffraction study of the electron density distribution in beryllium metal Acta Crystallographica, Section B, 1984, 40, 169-179
9017315	CIF	H16 Mg N O10 P	P m n 21	6.955; 6.142; 11.218 90; 90; 90	479.206	Abbona, F.; Calleri, M.; Ivaldi, G. Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms Acta Crystallographica, Section B, 1984, 40, 223-227
9017316	CIF	C H4 N2 O	P -4 21 m	5.584; 5.584; 4.689 90; 90; 90	146.208	Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306
9017317	CIF	C H4 N2 O	P -4 21 m	5.57; 5.57; 4.688 90; 90; 90	145.445	Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306
9017318	CIF	C H4 N2 O	P -4 21 m	5.565; 5.565; 4.684 90; 90; 90	145.06	Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306
9017319	CIF	F3 La	P -3 c 1	7.185; 7.185; 7.351 90; 90; 120	328.648	Zalkin, A.; Templeton, D. H. Refinement of the trigonal structure of lanthanum trifluoride with neutron diffraction data Note: neutron data Acta Crystallographica, Section B, 1985, 41, 91-93
9017320	CIF	C14 H10	P 1 21 1	8.441; 6.14; 9.438 90; 97.96; 90	484.437	Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Acta Crystallographica, Section B, 1990, 46, 830-832
9017321	CIF	As K O5 Ti	P n a 21	13.138; 6.582; 10.787 90; 90; 90	932.798	Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO4 Acta Crystallographica, Section B, 1994, 50, 655-662
9017322	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2055; 10.2055; 7.4483 90; 90; 120	671.825	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017323	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2224; 10.2224; 7.4494 90; 90; 120	674.152	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017324	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2323; 10.2323; 7.4533 90; 90; 120	675.812	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017325	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2415; 10.2415; 7.4594 90; 90; 120	677.582	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017326	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2055; 10.2055; 7.4483 90; 90; 120	671.825	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017327	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2055; 10.2055; 7.4483 90; 90; 120	671.825	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017328	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2224; 10.2224; 7.4494 90; 90; 120	674.152	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017329	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2224; 10.2224; 7.4494 90; 90; 120	674.152	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017330	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2323; 10.2323; 7.4533 90; 90; 120	675.812	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017331	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2323; 10.2323; 7.4533 90; 90; 120	675.812	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017332	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2415; 10.2415; 7.4594 90; 90; 120	677.582	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017333	CIF	As3 Cl0.74 O12.13 Pb5	P 63/m	10.2415; 10.2415; 7.4594 90; 90; 120	677.582	Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41
9017334	CIF	C H O4 Pb1.5	R -3 m :H	5.2475; 5.2475; 23.6795 90; 90; 120	564.687	Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195
9017335	CIF	C H O4 Pb1.5	R -3 m :H	5.257; 5.257; 23.636 90; 90; 120	565.693	Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195
9017336	CIF	C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13	R -3 m :H	7.1255; 7.1255; 66.2902 90; 90; 120	2914.81	Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A. Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica, Section B, 2018, 74, 492-501
9017337	CIF	O2 Si	C 2 2 21	8.7549; 5.0335; 8.2118 90; 90; 90	361.876	Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75
9017338	CIF	O2 Si	P 41 21 2	4.9727; 4.9727; 6.9257 90; 90; 90	171.257	Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75
9017916	CIF	Fe H5 O7 S	P 21 21 21	7.2226; 7.393; 20.0542 90; 90; 90	1070.83	Plasil, J.; Petricek, V.; Majzlan, J. A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O Acta Crystallographica, Section B, 2017, 73, 856-862
9017922	CIF Paper	Cl4 Cu O12 Pb5 Se4	C 1 2/c 1	24.917; 5.506; 14.242 90; 101.77; 90	1912.82	Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography Acta Crystallographica Section B, 2012, 68, 15-23