LMucko/crystallography-open-database huggingface dataset:
Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction: application of a phenomenological model of anisotropic peak width
Dinnebier, R. E.; von Dreele, R.; Stephens, P. W.; Jelonek, S.; Sieler, J.; Journal of Applied Crystallography 32 (1999) 761–769; doi:10.1107/S0021889899005233

data_6000256
_publ_section_title
;
 Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder
 diffraction: application of a phenomenological model of anisotropic peak
 width
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              761
_journal_page_last               769
_journal_paper_doi               10.1107/S0021889899005233
_journal_volume                  32
_journal_year                    1999
_chemical_formula_sum            'C7 H5 Na O3'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 92.869
_cell_angle_gamma                90.000
_cell_length_a                   16.0608
_cell_length_b                   5.3829
_cell_length_c                   3.6383
_cell_volume                     314.15
_cod_database_code               6000256
Revisiting a Rare Intermetallic Ternary Nitride, Ni2Mo3N: Crystal Structure and Property Measurements
Weil, K. S.; Kumta, P. N.; Grins, J.; Journal of Solid State Chemistry 146 (1999) 22–35; doi:10.1006/jssc.1999.8296

data_6000257
_publ_section_title
;
 Revisiting a Rare Intermetallic Ternary Nitride, Ni2Mo3N: Crystal
 Structure and Property Measurements
;
_journal_coden_ASTM              JSSCBI
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              22
_journal_page_last               35
_journal_paper_doi               10.1006/jssc.1999.8296
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Mo3 N Ni2'
_space_group_crystal_system      cubic
_space_group_IT_number           213
_space_group_name_H-M_alt        'P 41 3 2'
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.6340
_cell_length_b                   6.6340
_cell_length_c                   6.6340
_cell_measurement_radiation      x-rays
_cell_measurement_wavelength     1.541874
_cell_volume                     291.962
_cod_database_code               6000257
The crystal structure of Ba3CuRu2O9 and comparison to Ba3MRu2O9 (M = In, Co, Ni, and Fe)
Rijssenbeek, J. T.; Huang, Q.; Erwin, R. W.; Zandbergen, H. W.; Cava, R. J.; Journal of Solid State Chemistry 146 (1999) 65–72; doi:10.1006/jssc.1999.8309

data_6000258
_publ_section_title
;
 The crystal structure of Ba3CuRu2O9 and comparison to Ba3MRu2O9 (M = In,
 Co, Ni, and Fe)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              65
_journal_page_last               72
_journal_paper_doi               10.1006/jssc.1999.8309
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Ba3 Cu O9 Ru2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.6723
_cell_length_b                   10.1722
_cell_length_c                   14.1575
_cell_volume                     816.88
_cod_database_code               6000258
Thermal expansion of synthetic aragonite condensed review of elastic properties
Lucas, A.; Mouallem-Bahout, M.; Carel, C.; Gaude, J.; Matecki, M.; Journal of Solid State Chemistry 146 (1999) 73–78; doi:10.1006/jssc.1999.8310

data_6000259
_publ_section_title
;
 Thermal expansion of synthetic aragonite condensed review of elastic
 properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              73
_journal_page_last               78
_journal_paper_doi               10.1006/jssc.1999.8310
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'C Ca O3'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.7444
_cell_length_b                   4.9620
_cell_length_c                   7.9700
_cell_volume                     227.17
_cod_database_code               6000259
The δ→ε→γ LiV~2~O~5~ "high temperature" phase transitions evidenced by synchrotron X-ray powder diffraction analysis
Satto, C.; Sciau, P.; Dooryhee, E.; Galy, J.; Millet, P.; Journal of Solid State Chemistry 146 (1999) 103–109; doi:10.1006/jssc.1999.8314

data_6000260
_publ_section_title
;
 The \d\\rightarrow \e\\rightarrow \g LiV~2~O~5~ "high temperature"
 phase transitions evidenced by synchrotron X-ray powder diffraction analysis
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              103
_journal_page_last               109
_journal_paper_doi               10.1006/jssc.1999.8314
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Li O5 V2'
_space_group_name_H-M_alt        'P m m n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.3552
_cell_length_b                   3.5732
_cell_length_c                   4.6548
_cell_volume                     188.87
_diffrn_ambient_temperature      413.15
_cod_database_code               6000260
The structure of BaSr4U3O14 and a structural and thermodynamic characterization of Sr5U3O14
Cordfunke, E. H. P.; Huntelaar, M. E.; Ijdo, D. J. W.; Journal of Solid State Chemistry 146 (1999) 144–150; doi:10.1006/jssc.1999.8320

data_6000261
_publ_section_title
;
 The structure of BaSr4U3O14 and a structural and thermodynamic
 characterization of Sr5U3O14
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              144
_journal_page_last               150
_journal_paper_doi               10.1006/jssc.1999.8320
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'O14 Sr5 U3'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.2416
_cell_length_b                   11.2572
_cell_length_c                   11.0791
_cell_volume                     1402.05
_cod_database_code               6000261
The structure of BaSr4U3O14 and a structural and thermodynamic characterization of Sr5U3O14
Cordfunke, E. H. P.; Huntelaar, M. E.; Ijdo, D. J. W.; Journal of Solid State Chemistry 146 (1999) 144–150; doi:10.1006/jssc.1999.8320

data_6000262
_publ_section_title
;
 The structure of BaSr4U3O14 and a structural and thermodynamic
 characterization of Sr5U3O14
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              144
_journal_page_last               150
_journal_paper_doi               10.1006/jssc.1999.8320
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Ba O14 Sr4 U3'
_space_group_name_H-M_alt        'C m c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.3647
_cell_length_b                   11.3770
_cell_length_c                   11.0203
_cell_volume                     1424.88
_cod_database_code               6000262
Structural investigation of the potassium vanadomolybdate crystal
Mucha, D.; Olszewski, P. K.; Napruszewska, B.; Journal of Solid State Chemistry 146 (1999) 197–201; doi:10.1006/jssc.1999.8333

data_6000263
_publ_section_title
;
 Structural investigation of the potassium vanadomolybdate crystal
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              197
_journal_page_last               201
_journal_paper_doi               10.1006/jssc.1999.8333
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'K Mo O6 V'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.3478
_cell_length_b                   3.6967
_cell_length_c                   13.3769
_cell_volume                     511.70
_cod_database_code               6000263
CsUV~3~O~11~, a new uranyl vanadate with a layered structure
Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M.; Journal of Solid State Chemistry 146 (1999) 258–265; doi:10.1006/jssc.1999.8349

data_6000264
_publ_section_title
;
 CsUV~3~O~11~, a new uranyl vanadate with a layered structure
;
_journal_coden_ASTM              JSSCBI
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              258
_journal_page_last               265
_journal_paper_doi               10.1006/jssc.1999.8349
_journal_volume                  146
_journal_year                    1999
_chemical_formula_structural     'Cs (U O2) (V O3)3'
_chemical_formula_sum            'Cs O11 U V3'
_chemical_name_systematic        'Caesium dioxouranium tris(vanadate)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.989(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.904(2)
_cell_length_b                   6.8321(6)
_cell_length_c                   12.095(2)
_cell_volume                     941(2)
_exptl_crystal_density_diffrn    4.94
_exptl_crystal_density_meas      4.89(2)
_refine_ls_number_parameters     91
_refine_ls_number_reflns         3464
_refine_ls_R_factor_gt           0.046
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.045
_reflns_number_gt                3464
_reflns_number_total             4118
_reflns_threshold_expression     I>3\s(I)
_cod_duplicate_entry             1004149
_cod_depositor_comments
;
 Merging information from entries 1004149 and 6000264; marking entry 6000264
 as a duplicate of entry 1004149.

 Antanas Vaitkus,
 2018-06-30

 Adding the summary chemical formula, space group information, atomic
 coordinates, anisotropic atomic displacement parameter values and
 additional information after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_database_code               6000264
The compounds Ln(Ag0.7Al0.3)(5) (Ln-Pr, Nd, Sm) and their crystal structure
Zhak, O. V.; Kuz'ma, Y. B.; Stel'makhovych, B. M.; Journal of Alloys and Compounds 289 (1999) 181–184; doi:10.1016/S0925-8388(99)00166-8

data_6000265
_publ_section_title
;
 The compounds Ln(Ag0.7Al0.3)(5) (Ln-Pr, Nd, Sm) and their crystal
 structure
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              181
_journal_page_last               184
_journal_paper_doi               10.1016/S0925-8388(99)00166-8
_journal_volume                  289
_journal_year                    1999
_chemical_formula_sum            'Ag3.5 Al1.5 Sm'
_space_group_name_H-M_alt        'P -6 2 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4498
_cell_length_b                   5.4498
_cell_length_c                   9.3320
_cell_volume                     240.03
_cod_database_code               6000265
Structure determination of ferromagnetic perovskite BiMnO3
Atou, T.; Chiba, H.; Ohoyama, K.; Yamaguchi, Y.; Syono, Y.; Journal of Solid State Chemistry 145 (1999) 639–642; doi:10.1006/jssc.1999.8267

data_6000266
_publ_section_title
;
 Structure determination of ferromagnetic perovskite BiMnO3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              639
_journal_page_last               642
_journal_paper_doi               10.1006/jssc.1999.8267
_journal_volume                  145
_journal_year                    1999
_chemical_formula_sum            'Bi Mn O3'
_space_group_name_H-M_alt        'C 1 2 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 110.667
_cell_angle_gamma                90.000
_cell_length_a                   9.5323
_cell_length_b                   5.6064
_cell_length_c                   9.8535
_cell_volume                     492.70
_cod_database_code               6000266
Thermal and structural investigations of the bis-dihexadecyldimethylammonium dichromate
Fosse, N.; Brohan, L.; Journal of Solid State Chemistry 145 (1999) 655–667; doi:10.1006/jssc.1999.8277

data_6000267
_publ_section_title
;
 Thermal and structural investigations of the
 bis-dihexadecyldimethylammonium dichromate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              655
_journal_page_last               667
_journal_paper_doi               10.1006/jssc.1999.8277
_journal_volume                  145
_journal_year                    1999
_chemical_formula_sum            'C68 H144 Cr2 N2 O7'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                103.690
_cell_angle_beta                 89.860
_cell_angle_gamma                94.120
_cell_length_a                   34.3300
_cell_length_b                   7.8000
_cell_length_c                   7.2500
_cell_volume                     1881.12
_cod_database_code               6000267
Synthesis and structure determination of a new layered zincophosphate: [H~2~N~2~C~6~H~16~](0.5)[Zn~2~(PO~4~)(HPO~4~)(H~2~O)].H~2~O
Hajem, A. A.; Trojette, B.; Driss, A.; Jouini, T.; Journal of Chemical Crystallography 29 (1999) 217–221; doi:10.1023/A:1009582429917

data_6000268
_publ_section_title
;
 Synthesis and structure determination of a new layered zincophosphate:
 [H~2~N~2~C~6~H~16~](0.5)[Zn~2~(PO~4~)(HPO~4~)(H~2~O)].H~2~O
;
_journal_issue                   2
_journal_name_full               'Journal of Chemical Crystallography'
_journal_page_first              217
_journal_page_last               221
_journal_paper_doi               10.1023/A:1009582429917
_journal_volume                  29
_journal_year                    1999
_chemical_formula_sum            'C3 H14 N O10 P3 Zn2'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                67.190
_cell_angle_beta                 91.320
_cell_angle_gamma                111.100
_cell_length_a                   8.8220
_cell_length_b                   9.2360
_cell_length_c                   8.4510
_cell_volume                     586.72
_cod_database_code               6000268
Synthesis and crystal structure of Zr2Te. Distinctions in bonding to isotypic Sc2Te and the relationship to the structures of congeneric Hf2Te and Zr2Se
Orlygsson, G.; Harbrecht, B.; Inorganic Chemistry 38 (1999) 3377–3383; doi:10.1021/ic990024a

data_6000269
_publ_section_title
;
 Synthesis and crystal structure of Zr2Te. Distinctions in bonding to
 isotypic Sc2Te and the relationship to the structures of congeneric Hf2Te
 and Zr2Se
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3377
_journal_page_last               3383
_journal_paper_doi               10.1021/ic990024a
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'Te Zr2'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   19.9500
_cell_length_b                   3.8236
_cell_length_c                   10.6563
_cell_volume                     812.87
_cod_database_code               6000269
Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data
Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S.; Journal of Materials Chemistry 9 (1999) 1575–1578; doi:10.1039/a902149c

data_6000270
_publ_section_title
;
 Determination of the magnetic structure at 10 k of Mn3Ta2O8, and
 refinement of the crystal structure at 295 K, using neutron powder
 diffraction data
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1575
_journal_page_last               1578
_journal_paper_doi               10.1039/a902149c
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Mn3 O8 Ta2'
_space_group_name_H-M_alt        'I 41/a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.2728
_cell_length_b                   11.2728
_cell_length_c                   9.8030
_cell_volume                     1245.73
_cod_database_code               6000270
The crystal structure of the B-site ordered complex perovskite Sr(Yb0.5Nb0.5)O-3
Yang, J. H.; Choo, W. K.; Lee, J. H.; Lee, C. H.; Acta Crystallographica B 55 (1999) 348–354; doi:10.1107/S0108768198018333

data_6000271
_publ_section_title
;
 The crystal structure of the B-site ordered complex perovskite
 Sr(Yb0.5Nb0.5)O-3
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              348
_journal_page_last               354
_journal_paper_doi               10.1107/S0108768198018333
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Nb0.5 O3 Sr Yb0.5'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 21/n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.1262(11)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.79095(8)
_cell_length_b                   5.82210(7)
_cell_length_c                   8.20358(12)
_cell_volume                     276.59
_computing_structure_refinement  RIETAN
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Rigaku Rotaflex'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540562
_refine_ls_goodness_of_fit_all   3.28
_refine_ls_number_parameters     28
_cod_duplicate_entry             2003131
_cod_data_source_file            sh0123.cif
_cod_data_source_block           Xray
_cod_database_code               6000271
Preparation and crystal structure of the Ni7Si2P5 phosphide
Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T.; Zeitschrift für Kristallographie 214 (1999) 337–340; doi:10.1524/zkri.1999.214.6.337

data_6000272
_publ_section_title
;
 Preparation and crystal structure of the Ni7Si2P5 phosphide
;
_journal_coden_ASTM              ZEKRDZ
_journal_issue                   6
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              337
_journal_page_last               340
_journal_paper_doi               10.1524/zkri.1999.214.6.337
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'Ni7 P5 Si2'
_space_group_name_H-M_alt        'P b c n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   23.8400
_cell_length_b                   5.9250
_cell_length_c                   4.9220
_cell_volume                     695.24
_cod_database_code               6000272
beta-SrNH and beta-SrND - Synthesis and crystal structure determination by X-ray and neutron powder diffraction
Schultz-Coulon, V.; Irran, E.; Putz, B.; Schnick, W.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 625 (1999) 1086–1092; doi:10.1002/(SICI)1521-3749(199907)625:7<1086::AID-ZAAC1086>3.0.CO;2-B

data_6000273
_publ_section_title
;
 beta-SrNH and beta-SrND - Synthesis and crystal structure determination
 by X-ray and neutron powder diffraction
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1086
_journal_page_last               1092
_journal_paper_doi
10.1002/(SICI)1521-3749(199907)625:7<1086::AID-ZAAC1086>3.0.CO;2-B
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'H N Sr'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.5770
_cell_length_b                   3.9226
_cell_length_c                   5.6965
_cell_volume                     169.31
_cod_database_code               6000273
Rb2Li4(SeO4)(3)2H(2)O - the new crystal of selenates hydrates family
Pietraszko, A.; Bronowska, W.; Solid State Communications 111 (1999) 205–209; doi:10.1016/S0038-1098(99)00186-6

data_6000274
_publ_section_title
;
 Rb2Li4(SeO4)(3)2H(2)O - the new crystal of selenates hydrates family
;
_journal_name_full               'Solid State Communications'
_journal_page_first              205
_journal_page_last               209
_journal_paper_doi               10.1016/S0038-1098(99)00186-6
_journal_volume                  111
_journal_year                    1999
_chemical_formula_sum            'H4 Li4 O14 Rb2 Se3'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.110
_cell_angle_gamma                90.000
_cell_length_a                   5.2560
_cell_length_b                   5.1780
_cell_length_c                   26.7390
_cell_volume                     726.65
_cod_database_code               6000274
Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2
Klosters, G.; Jansen, M.; Journal of Solid State Chemistry 145 (1999) 267–275; doi:10.1006/jssc.1999.8263

data_6000275
_publ_section_title
;
 Neutron diffraction study of the low-temperature phases of sodium oxide
 nitrite, Na3ONO2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              267
_journal_page_last               275
_journal_paper_doi               10.1006/jssc.1999.8263
_journal_volume                  145
_journal_year                    1999
_chemical_formula_sum            'N Na3 O3'
_space_group_name_H-M_alt        'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.4917
_cell_length_b                   6.4917
_cell_length_c                   9.1941
_cell_volume                     387.46
_diffrn_ambient_temperature      195
_cod_database_code               6000275