LMucko/crystallography-open-database huggingface dataset:
Etude par diffraction neutronique de l'oxyhydroxyde de chrome β-CrOOH
Pernet, M.; Berthet-Colominas, C.; Alario-Franco, M. A.; Christensen, A. N.; Physica Status Solidi A: Applications and Materials Science 43 (1977) 81–88; doi:10.1002/pssa.2210430107

data_1008756
_publ_section_title
;
 Etude par diffraction neutronique de l'oxyhydroxyde de chrome \b-CrOOH
;
_journal_coden_ASTM              PSSABA
_journal_issue                   1
_journal_name_full
;
 Physica Status Solidi A: Applications and Materials Science
;
_journal_page_first              81
_journal_page_last               88
_journal_paper_doi               10.1002/pssa.2210430107
_journal_volume                  43
_journal_year                    1977
_chemical_formula_structural     'Cr O (O H)'
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Guyanaite
_chemical_name_systematic        'Chromium oxide hydroxide - \b'
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.858
_cell_length_b                   4.292
_cell_length_c                   2.955
_cell_volume                     61.6
_refine_ls_R_factor_all          0.078
_cod_original_formula_sum        'H Cr O2'
_cod_database_code               1008756
Die gemittelte Struktur des Labradorits
Klein, S; Korekawa, M; Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1976 (1976) 66–69; doi:

data_1008757
_publ_section_title              'Die gemittelte Struktur des Labradorits'
_journal_coden_ASTM              NJMMAW
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              66
_journal_page_last               69
_journal_volume                  1976
_journal_year                    1976
_chemical_compound_source        'from Labrador, Canada'
_chemical_formula_structural     'Na.48 Ca.52 Al1.52 Si2.48 O8'
_chemical_formula_sum            'Al1.52 Ca0.52 Na0.48 O8 Si2.48'
_chemical_name_mineral           'Anorhtite sodian'
_chemical_name_systematic        'Sodium calcium alumosilicate *'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.53(3)
_cell_angle_beta                 116.27(5)
_cell_angle_gamma                89.77(5)
_cell_formula_units_Z            8
_cell_length_a                   8.176(3)
_cell_length_b                   12.841(3)
_cell_length_c                   14.207(3)
_cell_volume                     1334.5
_exptl_crystal_density_meas      2.7
_refine_ls_R_factor_all          0.077
_cod_original_formula_sum        'Al1.52 Ca.52 Na.48 O8 Si2.48'
_cod_database_code               1008757
Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Locality: synthetic Note: anisoU's from ICSD
Levy, H. A.; Lisensky, G. C.; Acta Crystallographica, Section B 34 (1978) 3502–3510; doi:10.1107/S0567740878011504

data_1008758
_publ_section_title
;Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium
 tetraborate decahydrate (borax). Redetermination by neutron diffraction
 Locality: synthetic Note: anisoU's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3502
_journal_page_last               3510
_journal_paper_doi               10.1107/S0567740878011504
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'synthetic from solution'
_chemical_formula_structural     'Na2 (S O4) (H2 O)10'
_chemical_formula_sum            'H20 Na2 O14 S'
_chemical_name_mineral           Mirabilite
_chemical_name_systematic        'Sodium sulfate decahydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.789(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.512(3)
_cell_length_b                   10.370(3)
_cell_length_c                   12.847(2)
_cell_volume                     1460.3
_exptl_crystal_density_meas      1.47
_refine_ls_R_factor_all          0.087
_cod_database_code               1008758
Comparaison de deux affinements de la structure de la cyanite
de Rango, C; Tsoucaris, G; Zelwer, C; Devaux, J; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 89 (1966) 419–424; doi:

data_1008759
_publ_section_title
;
Comparaison de deux affinements de la structure de la cyanite
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              419
_journal_page_last               424
_journal_volume                  89
_journal_year                    1966
_chemical_formula_structural     'Al2 (Si O4) O'
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_chemical_name_systematic        'Dialuminium silicate oxide'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.9(1)
_cell_angle_beta                 101.2(1)
_cell_angle_gamma                106.1(1)
_cell_formula_units_Z            4
_cell_length_a                   7.11(1)
_cell_length_b                   7.83(1)
_cell_length_c                   5.58(1)
_cell_volume                     292.3
_exptl_crystal_density_meas      3.67
_refine_ls_R_factor_all          0.1
_cod_database_code               1008759
Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction
Peterson, S W; Levy, H A; Journal of Chemical Physics 26 (1957) 220–221; doi:10.1063/1.1743258

data_1008760
_publ_section_title
;
Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              220
_journal_page_last               221
_journal_paper_doi               10.1063/1.1743258
_journal_volume                  26
_journal_year                    1957
_chemical_formula_structural     'Cu Cl2 (H2 O)2'
_chemical_formula_sum            'Cl2 Cu H4 O2'
_chemical_name_mineral           Eriochalcite
_chemical_name_systematic        'Copper chloride dihydrate'
_space_group_IT_number           53
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      53
_symmetry_space_group_name_Hall  '-P 2ab 2ab'
_symmetry_space_group_name_H-M   'P b m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.395
_cell_length_b                   8.056
_cell_length_c                   3.728
_cell_volume                     222.1
_refine_ls_R_factor_all          0.032
_cod_original_formula_sum        'H4 Cl2 Cu O2'
_cod_database_code               1008760
Structure of Nepheline
Buerger, M J; Klein, G E; Hamburger, G; Geological Society of America, Bulletin 57 (1946) 1182–1183; doi:

data_1008761
_publ_section_title              'Structure of Nepheline'
_journal_coden_ASTM              BUGMAF
_journal_name_full               'Geological Society of America, Bulletin'
_journal_page_first              1182
_journal_page_last               1183
_journal_volume                  57
_journal_year                    1946
_chemical_formula_structural     'Na Al (Si O4)'
_chemical_formula_sum            'Al Na O4 Si'
_chemical_name_mineral           Nepheline
_chemical_name_systematic        'Sodium aluminium silicate'
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   10.05
_cell_length_b                   10.05
_cell_length_c                   8.38
_cell_volume                     733.0
_cod_database_code               1008761
Structure locale de δ-FeOOH
Patrat, G.; de Bergevin, F.; Pernet, M.; Joubert, J. C.; Acta Crystallographica, Section B: Structural Science 39 (1983) 165–170; doi:10.1107/s0108768183002232

data_1008762
_publ_section_title              'Structure locale de \d-FeOOH'
_journal_coden_ASTM              ASBSDK
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              165
_journal_page_last               170
_journal_paper_doi               10.1107/s0108768183002232
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'synthetic at 313-323 K'
_chemical_formula_structural     'Fe O (O H)'
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Feroxyhyte
_chemical_name_systematic        'Iron(III) oxide hydroxide - \d'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.95
_cell_length_b                   2.95
_cell_length_c                   4.56
_cell_volume                     34.4
_cod_original_formula_sum        'H Fe O2'
_cod_database_code               1008762
Etude par diffraction neutronique de l'oxyhydroxyde de chrome β-CrOOH
Pernet, M.; Berthet-Colominas, C.; Alario-Franco, M. A.; Christensen, A. N.; Physica Status Solidi A: Applications and Materials Science 43 (1977) 81–88; doi:10.1002/pssa.2210430107

data_1008763
_publ_section_title
;
 Etude par diffraction neutronique de l'oxyhydroxyde de chrome \b-CrOOH
;
_journal_coden_ASTM              PSSABA
_journal_issue                   1
_journal_name_full
;
 Physica Status Solidi A: Applications and Materials Science
;
_journal_page_first              81
_journal_page_last               88
_journal_paper_doi               10.1002/pssa.2210430107
_journal_volume                  43
_journal_year                    1977
_chemical_formula_structural     'Cr O (O H)'
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Guyanaite
_chemical_name_systematic        'Chromium oxide hydroxide - \b'
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.858
_cell_length_b                   4.292
_cell_length_c                   2.955
_cell_volume                     61.6
_refine_ls_R_factor_all          0.078
_cod_duplicate_entry             1008756
_cod_original_formula_sum        'H Cr O2'
_cod_database_code               1008763
Crystal structure and magnesium location in the W-type hexagonal ferrite: (Ba) Mg2 - W.
Collomb, A; Abdelkader, O; Wolfers, P; Guitel, J C; Samaras, D; Journal of Magnetism and Magnetic Materials 58 (1986) 247–253; doi:10.1016/0304-8853(86)90444-0

data_1008764
_publ_section_title
;
Crystal structure and magnesium location in the W-type hexagonal
ferrite: (Ba) Mg2 - W.
;
_journal_coden_ASTM              JMMMDC
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              247
_journal_page_last               253
_journal_paper_doi               10.1016/0304-8853(86)90444-0
_journal_volume                  58
_journal_year                    1986
_chemical_formula_structural     'Ba Mg2 Fe16 O27'
_chemical_formula_sum            'Ba Fe16 Mg2 O27'
_chemical_name_systematic        'Barium magnesium iron oxide (1/2/16/27)'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.9060(7)
_cell_length_b                   5.9060(7)
_cell_length_c                   32.91499(700)
_cell_volume                     994.3
_refine_ls_R_factor_all          0.0215
_cod_database_code               1008764
Neutron scattering annd diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12 and Na3 Zr Mg P3 O12
Lucazeau, G; Barj, M; Soubeyroux, J L; Dianoux, A J; Delmas, C; Solid State Ionics 1819 (1986) 959–963; doi:

data_1008765
_publ_section_title
;
Neutron scattering annd diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3
O12 and Na3 Zr Mg P3 O12
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              959
_journal_page_last               963
_journal_volume                  1819
_journal_year                    1986
_chemical_compound_source        synthetic
_chemical_formula_structural     'Na3 Cr2 P3 O12'
_chemical_formula_sum            'Cr2 Na3 O12 P3'
_chemical_name_mineral           'Nasicon chromous high'
_chemical_name_systematic
;
Sodium chromium phosphorus oxide (3/2/3/12) - HT
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.6548(2)
_cell_length_b                   8.6548(2)
_cell_length_c                   21.82179(60)
_cell_volume                     1415.6
_refine_ls_R_factor_all          0.063
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_database_code               1008765
Rietveld studies of the aluminium-iron substitution in synthetic goethite
Hazemann, J.-L.; Bérar, J. F.; Manceau, A.; Materials Science Forum  (1991) 821–826; doi:10.4028/www.scientific.net/MSF.79-82.821

data_1008766
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe O (O H)'
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_chemical_name_systematic        'Iron(III) oxide hydroxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6188(2)
_cell_length_b                   9.9528(4)
_cell_length_c                   3.0236(1)
_cell_volume                     139.0
_exptl_crystal_density_meas      4
_refine_ls_R_factor_all          0.1
_cod_original_formula_sum        'H Fe O2'
_cod_database_code               1008766
Rietveld studies of the aluminium-iron substitution in synthetic goethite
Hazemann, J.-L.; Bérar, J. F.; Manceau, A.; Materials Science Forum  (1991) 821–826; doi:10.4028/www.scientific.net/MSF.79-82.821

data_1008767
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe O (O H)'
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_chemical_name_systematic        'Iron(III) oxide hydroxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6158(2)
_cell_length_b                   9.9545(4)
_cell_length_c                   3.0233(1)
_cell_volume                     138.9
_exptl_crystal_density_meas      4
_refine_ls_R_factor_all          0.1
_cod_original_formula_sum        'H Fe O2'
_cod_database_code               1008767
Rietveld studies of the aluminium-iron substitution in synthetic goethite
Hazemann, J.-L.; Bérar, J. F.; Manceau, A.; Materials Science Forum  (1991) 821–826; doi:10.4028/www.scientific.net/MSF.79-82.821

data_1008768
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe O (O H)'
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_chemical_name_systematic        'Iron(III) oxide hydroxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6048(1)
_cell_length_b                   9.9595
_cell_length_c                   3.023
_cell_volume                     138.6
_exptl_crystal_density_meas      4
_refine_ls_R_factor_all          0.06
_cod_original_formula_sum        'H Fe O2'
_cod_database_code               1008768
Rietveld studies of the aluminium-iron substitution in synthetic goethite
Hazemann, J.-L.; Bérar, J. F.; Manceau, A.; Materials Science Forum  (1991) 821–826; doi:10.4028/www.scientific.net/MSF.79-82.821

data_1008769
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_formula_structural     'Al O (O H)'
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Diaspore
_chemical_name_systematic        'Aluminium oxide hydroxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.4031(2)
_cell_length_b                   9.4252(5)
_cell_length_c                   2.8452(1)
_cell_volume                     118.1
_refine_ls_R_factor_all          0.09
_cod_original_formula_sum        'H Al O2'
_cod_database_code               1008769
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008770
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Na0.6 Ba0.4 (Sn2 As2)'
_chemical_formula_sum            'As2 Ba0.4 Na0.6 Sn2'
_chemical_name_systematic
;
Sodium barium diarsenidodistannate (0.6/0.4/1)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.092(2)
_cell_length_b                   4.092(2)
_cell_length_c                   27.93399(600)
_cell_volume                     405.1
_refine_ls_R_factor_all          0.042
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'As2 Ba.4 Na.6 Sn2'
_cod_database_code               1008770
Gold substitution in mercury cuprate superconductors
Bordet, P; Le Floch, S; Capponi, J J; Chaillout, C; Gorius, M F; Marezio, M; Tholence, J L; Radaelli, P G; Physica C (Amsterdam) (152,1988-) 262 (1996) 151–158; doi:10.1016/0921-4534(96)00224-9

data_1008771
_publ_section_title
;
Gold substitution in mercury cuprate superconductors
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              151
_journal_page_last               158
_journal_paper_doi               10.1016/0921-4534(96)00224-9
_journal_volume                  262
_journal_year                    1996
_chemical_formula_structural     '(Hg0.69 Au0.17) Ba2 Ca2 Cu3 O8.30'
_chemical_formula_sum            'Au0.17 Ba2 Ca2 Cu3 Hg0.69 O8.3'
_chemical_name_systematic
;
Mercury gold barium calcium copper oxide (0.69/0.17/2/2/3/8.30)
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8464(2)
_cell_length_b                   3.8464(2)
_cell_length_c                   15.739(1)
_cell_volume                     232.9
_refine_ls_R_factor_all          0.024
_cod_original_formula_sum        'Au.17 Ba2 Ca2 Cu3 Hg.69 O8.3'
_cod_database_code               1008771