LMucko/crystallography-open-database huggingface dataset:
Structural investigation of the negative-thermal-expansion material ZrW2O8
Evans, J. S. O.; David, W. I. F.; Sleight, A. W.; Acta Crystallographica B 55 (1999) 333–340; doi:10.1107/S0108768198016966

data_6000575
_publ_section_title
;
 Structural investigation of the negative-thermal-expansion material
 ZrW2O8
;
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              333
_journal_page_last               340
_journal_paper_doi               10.1107/S0108768198016966
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'O8 W2 Zr'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.1800
_cell_length_b                   9.1800
_cell_length_c                   9.1800
_cell_volume                     773.62
_diffrn_ambient_temperature      2
_cod_duplicate_entry             2002948
_cod_database_code               6000575
Neutron-diffraction and calorimetric studies of methylammonium iodide
Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J.; Acta Crystallographica B 48 (1992) 329–336; doi:10.1107/S0108768192000260

data_6000576
_publ_section_title
;
 Neutron-diffraction and calorimetric studies of methylammonium iodide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica B'
_journal_page_first              329
_journal_page_last               336
_journal_paper_doi               10.1107/S0108768192000260
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C D6 I N'
_space_group_name_H-M_alt        'P b m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.1743
_cell_length_b                   7.0967
_cell_length_c                   8.8323
_cell_volume                     449.69
_cod_database_code               6000576
New iron(III) phosphate phases: Crystal structure and electrochemical and magnetic properties
Song, Y. N.; Zavalij, P. Y.; Suzuki, M.; Whittingham, M. S.; Inorganic Chemistry 41 (2002) 5778–5786; doi:10.1021/ic025688q

data_6000578
_publ_section_title
;
 New iron(III) phosphate phases: Crystal structure and electrochemical and
 magnetic properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5778
_journal_page_last               5786
_journal_paper_doi               10.1021/ic025688q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Fe O4 P'
_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                   9.1710
_cell_length_b                   9.4560
_cell_length_c                   8.6750
_cell_volume                     752.30
_cod_database_code               6000578
Crystal structure of Au1-xNixSn4 intermetallic alloys
Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.; Journal of Alloys and Compounds 334 (2002) 79–85; doi:10.1016/S0925-8388(01)01780-7

data_6000582
_publ_section_title
;
 Crystal structure of Au1-xNixSn4 intermetallic alloys
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              79
_journal_page_last               85
_journal_paper_doi               10.1016/S0925-8388(01)01780-7
_journal_volume                  334
_journal_year                    2002
_chemical_formula_sum            'Au0.73 Ni0.27 Sn4'
_space_group_IT_number           68
_space_group_name_Hall           '-C 2a 2ac'
_space_group_name_H-M_alt        'C c c a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.4480
_cell_length_b                   11.6060
_cell_length_c                   6.4410
_cell_volume                     482.02
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               6000582
Crystal structure of Au1-xNixSn4 intermetallic alloys
Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.; Journal of Alloys and Compounds 334 (2002) 79–85; doi:10.1016/S0925-8388(01)01780-7

data_6000583
_publ_section_title
;
 Crystal structure of Au1-xNixSn4 intermetallic alloys
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              79
_journal_page_last               85
_journal_paper_doi               10.1016/S0925-8388(01)01780-7
_journal_volume                  334
_journal_year                    2002
_chemical_formula_sum            'Au0.51 Ni0.49 Sn4'
_space_group_IT_number           68
_space_group_name_Hall           '-C 2a 2ac'
_space_group_name_H-M_alt        'C c c a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.4237(3)
_cell_length_b                   11.5219(6)
_cell_length_c                   6.3842(3)
_cell_volume                     472.53
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               6000583
Crystal structure of Au1-xNixSn4 intermetallic alloys
Zavalij, L.; Zribi, A.; Chromik, R. R.; Pitely, S.; Zavalij, P. Y.; Cotts, E. J.; Journal of Alloys and Compounds 334 (2002) 79–85; doi:10.1016/S0925-8388(01)01780-7

data_6000584
_publ_section_title
;
 Crystal structure of Au1-xNixSn4 intermetallic alloys
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              79
_journal_page_last               85
_journal_paper_doi               10.1016/S0925-8388(01)01780-7
_journal_volume                  334
_journal_year                    2002
_chemical_formula_sum            'Au0.91 Ni0.09 Sn4'
_space_group_IT_number           68
_space_group_name_Hall           '-C 2a 2ac'
_space_group_name_H-M_alt        'C c c a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.523(2)
_cell_length_b                   11.676(4)
_cell_length_c                   6.485(2)
_cell_volume                     493.91
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               6000584
Crystal and magnetic-structures of NaMnF~4~
Molinier, M.; Massa, W.; Khairoun, S.; Tressaud, A.; Soubeyroux, J. L.; Zeitschrift für Naturforschung B 46 (1991) 1669–1673; doi:10.1515/znb-1991-1214

data_6000585
_publ_section_title
;
 Crystal and magnetic-structures of NaMnF~4~
;
_journal_issue                   12
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              1669
_journal_page_last               1673
_journal_paper_doi               10.1515/znb-1991-1214
_journal_volume                  46
_journal_year                    1991
_chemical_formula_sum            'F4 Mn Na'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.070
_cell_angle_gamma                90.000
_cell_length_a                   5.7360
_cell_length_b                   4.8920
_cell_length_c                   5.7480
_cell_volume                     153.34
_cod_database_code               6000585
Copper weberites - crystal-structure and magnetic investigation of Na2CuGaF7 and Na2CuINF7
Ruchaud, N.; Grannec, J.; Gravereau, P.; Nunez, P.; Tressaud, A.; Massa, W.; Frenzen, G.; Babel, D.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 610 (1992) 67–74; doi:10.1002/zaac.19926100112

data_6000586
_publ_section_title
;
 Copper weberites - crystal-structure and magnetic investigation of
 Na2CuGaF7 and Na2CuINF7
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1002/zaac.19926100112
_journal_volume                  610
_journal_year                    1992
_chemical_formula_sum            'Cu F7 Ga Na2'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 109.290
_cell_angle_gamma                90.000
_cell_length_a                   12.3250
_cell_length_b                   7.3180
_cell_length_c                   12.7800
_cell_volume                     1087.97
_cod_database_code               6000586
Copper weberites - crystal-structure and magnetic investigation of Na2CuGaF7 and Na2CuINF7
Ruchaud, N.; Grannec, J.; Gravereau, P.; Nunez, P.; Tressaud, A.; Massa, W.; Frenzen, G.; Babel, D.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 610 (1992) 67–74; doi:10.1002/zaac.19926100112

data_6000587
_publ_section_title
;
 Copper weberites - crystal-structure and magnetic investigation of
 Na2CuGaF7 and Na2CuINF7
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1002/zaac.19926100112
_journal_volume                  610
_journal_year                    1992
_chemical_formula_sum            'Cu F7 In Na2'
_space_group_name_H-M_alt        'P m n b'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.3180
_cell_length_b                   10.6020
_cell_length_c                   7.7120
_cell_volume                     598.34
_cod_database_code               6000587
Crystal and magnetic-structures of the layer compound TlMnF4
Nunez, P.; Tressaud, A.; Grannec, J.; Hagenmuller, P.; Massa, W.; Babel, D.; Boireau, A.; Soubeyroux, J. L.; Zeitschrift Fur Anorganische Und Allgemeine Chemie 609 (1992) 71–76; doi:10.1002/zaac.19926090314

data_6000588
_publ_section_title
;
 Crystal and magnetic-structures of the layer compound TlMnF4
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              71
_journal_page_last               76
_journal_paper_doi               10.1002/zaac.19926090314
_journal_volume                  609
_journal_year                    1992
_chemical_formula_sum            'F4 Mn Ti'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.190
_cell_angle_gamma                90.000
_cell_length_a                   5.3970
_cell_length_b                   5.4410
_cell_length_c                   2.4840
_cell_volume                     72.94
_cod_database_code               6000588
Structural refinement of the room-temperature form of Rb~2~KYF~6~
Guengard, H.; Grannec, J.; Tressaud, A.; Gravereau, P.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 317 (1993) 37–42; doi:

data_6000589
_publ_section_title
;
 Structural refinement of the room-temperature form of Rb~2~KYF~6~
;
_journal_coden_ASTM              CMCAEK
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique,
 Physique, Chimie, Astronomie
;
_journal_page_first              37
_journal_page_last               42
_journal_volume                  317
_journal_year                    1993
_chemical_formula_sum            'F6 K Rb2 Y'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.070
_cell_angle_gamma                90.000
_cell_length_a                   6.5310
_cell_length_b                   6.5830
_cell_length_c                   9.2710
_cell_volume                     398.59
_cod_database_code               6000589
Crystal structure of Ba~6~Mn~2~ZnF~12~Cl~6~
Darriet, J.; Ducau, M.; Feist, M.; Tressaud, A.; European Journal of Solid State and Inorganic Chemistry 29 (1992) 435–443; doi:

data_6000590
_publ_section_title
;
 Crystal structure of Ba~6~Mn~2~ZnF~12~Cl~6~
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              435
_journal_page_last               443
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'Ba6 Cl6 F12 Mn2 Zn'
_chemical_formula_weight         1439.95
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.081(1)
_cell_length_b                   10.081(1)
_cell_length_c                   5.8476(1)
_cell_volume                     514.65(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.473
_exptl_crystal_density_diffrn    4.646
_exptl_crystal_F_000             626
_refine_ls_number_reflns         1046
_refine_ls_R_factor_gt           0.0221
_refine_ls_wR_factor_gt          0.0227
_cod_database_code               6000590
Cation ordering in the sillen X(1)-type oxychloride, BaBiO2Cl
Kennard, M. A.; Darriet, J.; Grannec, J.; Tressaud, A.; Journal of Solid State Chemistry 117 (1995) 201–205; doi:10.1006/jssc.1995.1263

data_6000591
_publ_section_title
;
 Cation ordering in the sillen X(1)-type oxychloride, BaBiO2Cl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              201
_journal_page_last               205
_journal_paper_doi               10.1006/jssc.1995.1263
_journal_volume                  117
_journal_year                    1995
_chemical_formula_sum            'Ba Bi Cl O2'
_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                   5.8800
_cell_length_b                   12.9450
_cell_length_c                   5.6770
_cell_volume                     432.11
_cod_database_code               6000591
Structural investigation of new ternary Palladium(II) and sodium fluorides
Ruchaud, N.; Grannec, J.; Tressaud, A.; Massa, W.; Hagenmuller, P.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 313 (1991) 1519–1525; doi:

data_6000592
_publ_section_title
;
 Structural investigation of new ternary Palladium(II) and sodium
 fluorides
;
_journal_coden_ASTM              CMCAEK
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique,
 Physique, Chimie, Astronomie
;
_journal_page_first              1519
_journal_page_last               1525
_journal_volume                  313
_journal_year                    1991
_chemical_formula_sum            'F4 Na2 Pd'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.940
_cell_angle_gamma                90.000
_cell_length_a                   3.4090
_cell_length_b                   5.6150
_cell_length_c                   9.9930
_cell_volume                     190.83
_cod_database_code               6000592
Structural investigation of new ternary Palladium(II) and sodium fluorides
Ruchaud, N.; Grannec, J.; Tressaud, A.; Massa, W.; Hagenmuller, P.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 313 (1991) 1519–1525; doi:

data_6000593
_publ_section_title
;
 Structural investigation of new ternary Palladium(II) and sodium
 fluorides
;
_journal_coden_ASTM              CMCAEK
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique,
 Physique, Chimie, Astronomie
;
_journal_page_first              1519
_journal_page_last               1525
_journal_volume                  313
_journal_year                    1991
_chemical_formula_sum            'F3 Na Pd'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.410
_cell_angle_gamma                90.000
_cell_length_a                   13.1740
_cell_length_b                   6.7720
_cell_length_c                   6.6770
_cell_volume                     565.20
_cod_database_code               6000593
The palladium(II) ordered pyrochlore: CsPdAlF6
Ruchaud, N.; Grannec, J.; Tressaud, A.; Gravereau, P.; Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie 321 (1995) 507–513; doi:

data_6000594
_publ_section_title
;
 The palladium(II) ordered pyrochlore: CsPdAlF6
;
_journal_coden_ASTM              CMCAEK
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique,
 Physique, Chimie, Astronomie
;
_journal_page_first              507
_journal_page_last               513
_journal_volume                  321
_journal_year                    1995
_chemical_formula_sum            'Al Cs F6 Pd'
_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                   7.5230
_cell_length_b                   7.1610
_cell_length_c                   10.2580
_cell_volume                     552.62
_cod_database_code               6000594
Structural and magnetic phase transitions of the 2D ferromagnetic fluoride Tl2CuF4
Nunez, P.; Moralesescobar, M.; Roisnel, T.; Kiat, J. M.; Saezpuche, R.; Guengard, H.; Grannec, J.; Tressaud, A.; Journal of Solid State Chemistry 122 (1996) 87–94; doi:10.1006/jssc.1996.0086

data_6000595
_publ_section_title
;
 Structural and magnetic phase transitions of the 2D ferromagnetic
 fluoride Tl2CuF4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1006/jssc.1996.0086
_journal_volume                  122
_journal_year                    1996
_chemical_formula_sum            'Cu F4 Tl2'
_space_group_name_H-M_alt        'I 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.2060
_cell_length_b                   4.2060
_cell_length_c                   13.6730
_cell_volume                     241.88
_cod_database_code               6000595
Structural and magnetic phase transitions of the 2D ferromagnetic fluoride Tl2CuF4
Nunez, P.; Moralesescobar, M.; Roisnel, T.; Kiat, J. M.; Saezpuche, R.; Guengard, H.; Grannec, J.; Tressaud, A.; Journal of Solid State Chemistry 122 (1996) 87–94; doi:10.1006/jssc.1996.0086

data_6000596
_publ_section_title
;
 Structural and magnetic phase transitions of the 2D ferromagnetic
 fluoride Tl2CuF4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               94
_journal_paper_doi               10.1006/jssc.1996.0086
_journal_volume                  122
_journal_year                    1996
_chemical_formula_sum            'Cu F4 Tl2'
_space_group_name_H-M_alt        I2/m
_cell_angle_alpha                90.000
_cell_angle_beta                 94.564
_cell_angle_gamma                90.000
_cell_length_a                   4.1820
_cell_length_b                   4.1830
_cell_length_c                   13.4920
_cell_volume                     235.27
_cod_database_code               6000596
6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene
Goubitz, K.; Schenk, H.; Acta Crystallographica Section C 48 (1992) 359–361; doi:10.1107/S0108270191009472

data_6000597
_publ_section_title
;
 6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              359
_journal_page_last               361
_journal_paper_doi               10.1107/S0108270191009472
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C49 H56 Fe N6 O4'
_space_group_name_H-M_alt        P21.a
_cell_angle_alpha                90.000
_cell_angle_beta                 110.600
_cell_angle_gamma                90.000
_cell_length_a                   14.4700
_cell_length_b                   19.7490
_cell_length_c                   17.5000
_cell_volume                     4681.18
_cod_duplicate_entry             2001062
_cod_database_code               6000597
Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)
De Ridder, D. J. A.; Schenk, H.; Acta Crystallographica Section C 48 (1992) 140–142; doi:10.1107/S0108270191008211

data_6000598
_publ_section_title
;
 Crystal studies of musk compounds. IV. Structure of
 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              140
_journal_page_last               142
_journal_paper_doi               10.1107/S0108270191008211
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H24 O'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                105.735
_cell_angle_beta                 99.580
_cell_angle_gamma                90.090
_cell_length_a                   10.1600
_cell_length_b                   12.2300
_cell_length_c                   12.7960
_cell_volume                     1507.24
_cod_duplicate_entry             2001109
_cod_database_code               6000598
Crystal studies of musk compounds. III. Structures of 6-acetyl-1,1,2,3,3,5-hexamethylindan (musk phantolid)(I) and 6-acetyl-3-isopropyl-1,1,3,5-tetramethylindan(II)
De Ridder, D. J. A.; Schenk, H.; Acta Crystallographica Section C 47 (1991) 1044–1047; doi:10.1107/S0108270190010435

data_6000599
_publ_section_title
;
 Crystal studies of musk compounds. III. Structures of
 6-acetyl-1,1,2,3,3,5-hexamethylindan (musk phantolid)(I) and
 6-acetyl-3-isopropyl-1,1,3,5-tetramethylindan(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1044
_journal_page_last               1047
_journal_paper_doi               10.1107/S0108270190010435
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C17 H24 O'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 99.135
_cell_angle_gamma                90.000
_cell_length_a                   10.3130
_cell_length_b                   14.2920
_cell_length_c                   10.6086
_cell_volume                     1543.81
_cod_duplicate_entry             2000321
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