LMucko/crystallography-open-database huggingface dataset:
Crystal structure and zinc location in the Ba Zn Fe6 O11 Y-type hexagonal ferrite
Collomb, A; Muller, J; Guitel, J C; Desvignes, J M; Journal of Magnetism and Magnetic Materials 78 (1989) 77–84; doi:10.1016/0304-8853(89)90089-9

data_1008804
_publ_section_title
;
Crystal structure and zinc location in the Ba Zn Fe6 O11 Y-type
hexagonal ferrite
;
_journal_coden_ASTM              JMMMDC
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              77
_journal_page_last               84
_journal_paper_doi               10.1016/0304-8853(89)90089-9
_journal_volume                  78
_journal_year                    1989
_chemical_formula_analytical     'Ba Zn0.94 Fe6.05 O11'
_chemical_formula_structural     'Ba (Zn0.94 Fe0.06) (Fe6 O11)'
_chemical_formula_sum            'Ba Fe6.06 O11 Zn0.94'
_chemical_name_systematic
;
Barium zinc iron hexaferrate(III) (1/0.94/06.06/1)
;
_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            6
_cell_length_a                   5.875(1)
_cell_length_b                   5.875(1)
_cell_length_c                   43.571(6)
_cell_volume                     1302.4
_refine_ls_R_factor_all          0.029
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'Ba Fe6.06 O11 Zn.94'
_cod_database_code               1008804
Structure investigations of the high-temperature phases of La2 Si2 O7, Gd2 Si2 O7 and Sm2 Si2 O7
Norlund Christensen, A; Frost Jensen, A; Kruse Themsen, B; Gronbaek Hazell, R; Hanfland, M; Dooryhee, E; Acta Chemica Scandinavica (43,1989-) 51 (1997) 1178–1185; doi:10.3891/acta.chem.scand.51-1178

data_1008805
_publ_section_title
;
Structure investigations of the high-temperature phases of La2 Si2 O7,
Gd2 Si2 O7 and Sm2 Si2 O7
;
_journal_coden_ASTM              ACHSE7
_journal_name_full               'Acta Chemica Scandinavica (43,1989-)'
_journal_page_first              1178
_journal_page_last               1185
_journal_paper_doi               10.3891/acta.chem.scand.51-1178
_journal_volume                  51
_journal_year                    1997
_chemical_formula_structural     'Sm2 (Si2 O7)'
_chemical_formula_sum            'O7 Si2 Sm2'
_chemical_name_systematic        'Disamarium disilicate'
_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                91.08(2)
_cell_angle_beta                 88.61(4)
_cell_angle_gamma                89.68(4)
_cell_formula_units_Z            4
_cell_length_a                   8.553(5)
_cell_length_b                   12.849(5)
_cell_length_c                   5.392(2)
_cell_volume                     592.3
_refine_ls_R_factor_all          0.077
_cod_database_code               1008805
Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2 determined from synchrotron X-ray and neutron powder data
Salvado, M A; Pertierra, P; Garcia-Granda, S; Garcia, J R; Fernandez-Diaz, M T; Dooryhee, E; European Journal of Solid State Inorganic Chemistry 34 (1997) 1237–1247; doi:

data_1008806
_publ_section_title
;
Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2
determined from synchrotron X-ray and neutron powder data
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              1237
_journal_page_last               1247
_journal_volume                  34
_journal_year                    1997
_chemical_formula_structural     'Ti2 O (P O4)2 (H2 O)2'
_chemical_formula_sum            'H4 O11 P2 Ti2'
_chemical_name_systematic
;
Dititanium oxide bis(phosphate(V)) dihydrate
;
_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                73.323(3)
_cell_angle_beta                 86.173(3)
_cell_angle_gamma                86.330(3)
_cell_formula_units_Z            2
_cell_length_a                   5.1147(2)
_cell_length_b                   8.8258(4)
_cell_length_c                   9.6627(4)
_cell_volume                     416.4
_refine_ls_R_factor_all          0.018
_cod_database_code               1008806
Na Ti O P O4 and K Ti O P O4 at 110 K
Dahaoui, S; Hansen, N K; Menaert, B; Acta Crystallographica C (39,1983-) 53 (1997) 1173–1176; doi:

data_1008807
_publ_section_title              'Na Ti O P O4 and K Ti O P O4 at 110 K'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1173
_journal_page_last               1176
_journal_volume                  53
_journal_year                    1997
_chemical_formula_structural     'Na0.5 (Na0.492 K.008) (Ti O) (P O4)'
_chemical_formula_sum            'K0.008 Na0.992 O5 P Ti'
_chemical_name_systematic
;
Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.555(2)
_cell_length_b                   6.258(2)
_cell_length_c                   10.554(2)
_cell_volume                     829.2
_refine_ls_R_factor_all          0.013
_cod_original_formula_sum        'K.008 Na.992 O5 P Ti'
_cod_database_code               1008807
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)
Levy, D; Barbier, J; Journal of Solid State Chemistry 130 (1997) 9–19; doi:10.1006/jssc.1997.7252

data_1008809
_publ_section_title
;
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni,
Mg)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               19
_journal_paper_doi               10.1006/jssc.1997.7252
_journal_volume                  130
_journal_year                    1997
_chemical_formula_structural     '(Co14.86 Mg9.14) Ge8 O40'
_chemical_formula_sum            'Co14.86 Ge8 Mg9.14 O40'
_chemical_name_systematic
;
Cobalt magnesium germanium oxide (14.86/9.14/8/40)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.193(2)
_cell_length_b                   5.941(1)
_cell_length_c                   24.200(5)
_cell_volume                     1465.5
_refine_ls_R_factor_all          0.045
_cod_database_code               1008809
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)
Levy, D; Barbier, J; Journal of Solid State Chemistry 130 (1997) 9–19; doi:10.1006/jssc.1997.7252

data_1008810
_publ_section_title
;
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni,
Mg)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               19
_journal_paper_doi               10.1006/jssc.1997.7252
_journal_volume                  130
_journal_year                    1997
_chemical_formula_structural     '(Co7.25 Mg6.75) Ge5 O24'
_chemical_formula_sum            'Co7.25 Ge5 Mg6.75 O24'
_chemical_name_systematic
;
Cobalt magnesium germanium oxide (7.25/6.75/5/24)
;
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.537(2)
_cell_length_b                   10.219(2)
_cell_length_c                   5.950(1)
_cell_volume                     883.9
_refine_ls_R_factor_all          0.039
_cod_database_code               1008810
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)
Levy, D; Barbier, J; Journal of Solid State Chemistry 130 (1997) 9–19; doi:10.1006/jssc.1997.7252

data_1008811
_publ_section_title
;
A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni,
Mg)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               19
_journal_paper_doi               10.1006/jssc.1997.7252
_journal_volume                  130
_journal_year                    1997
_chemical_formula_structural     '(Ni3 Mg11) Ge5 O24'
_chemical_formula_sum            'Ge5 Mg11 Ni3 O24'
_chemical_name_systematic
;
Trinickel undecamagnesium pentagermanium oxide
;
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.446(3)
_cell_length_b                   10.174(2)
_cell_length_c                   5.917(1)
_cell_volume                     869.6
_refine_ls_R_factor_all          0.103
_cod_database_code               1008811
Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD
Levy, H. A.; Lisensky, G. C.; Acta Crystallographica, Section B 34 (1978) 3502–3510; doi:10.1107/S0567740878011504

data_1008812
_publ_section_title
;
 Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium
 tetraborate decahydrate (borax). Redetermination by neutron diffraction
 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
_chemical_formula_structural     'Na2 B4 O5 (O H)4 (H2 O)8'
_chemical_formula_sum            'B4 H20 Na2 O17'
_chemical_name_mineral           Borax
_chemical_name_systematic        'Sodium borate hydrate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.623(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.885(1)
_cell_length_b                   10.654(1)
_cell_length_c                   12.206(1)
_cell_volume                     1481.0
_database_code_amcsd             0009647
_exptl_crystal_density_diffrn    1.710
_refine_ls_R_factor_all          0.061
_cod_original_formula_sum        'H20 B4 Na2 O17'
_cod_database_code               1008812
Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite.
Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P.; Acta Crystallographica B (39,1983-) 43 (1987) 440–448; doi:10.1107/S0108768187097520

data_1008813
_publ_section_title
;
Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16
Hollandite.
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   5
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              440
_journal_page_last               448
_journal_paper_doi               10.1107/S0108768187097520
_journal_volume                  43
_journal_year                    1987
_chemical_compound_source        'artificial at 1770 K for 10 h'
_chemical_formula_structural     'Ba1.2 Ti6.8 Mg1.2 O16'
_chemical_formula_sum            'Ba1.2 Mg1.2 O16 Ti6.8'
_chemical_name_mineral           'Hollandite (Ti, Mg)'
_chemical_name_systematic
;
Barium titanium magnesium oxide (1.2/6.8/1.2/16)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.77(4)
_cell_angle_gamma                90
_cell_formula_units_Z            5
_cell_length_a                   10.227(3)
_cell_length_b                   14.907(8)
_cell_length_c                   9.964(6)
_cell_volume                     1518.9
_exptl_crystal_density_meas      4.2
_refine_ls_R_factor_all          0.052
_cod_database_code               1008813
Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with Tc above 80 K
Bordet, P; LeFloch, S; Chaillout, C; Duc, F; Gorius, M F; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L; Physica C (Amsterdam) (152,1988-) 276 (1997) 237–244; doi:10.1016/S0921-4534(97)00031-2

data_1008814
_publ_section_title
;
Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with
Tc above 80 K
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              237
_journal_page_last               244
_journal_paper_doi               10.1016/S0921-4534(97)00031-2
_journal_volume                  276
_journal_year                    1997
_chemical_formula_structural     'Au Ba2 (Y0.7 Ca0.3) Cu2 O7'
_chemical_formula_sum            'Au Ba2 Ca0.3 Cu2 O7 Y0.7'
_chemical_name_systematic
;
Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)
;
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8298(5)
_cell_length_b                   3.8420(5)
_cell_length_c                   12.111(1)
_cell_volume                     178.2
_refine_ls_R_factor_all          0.0491
_cod_original_formula_sum        'Au Ba2 Ca.3 Cu2 O7 Y.7'
_cod_database_code               1008814
Discovery of a second family of bismuth-oxide-based superconductors
Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V; Nature (London) 390 (1997) 148–150; doi:10.1038/36529

data_1008815
_publ_section_title
;
Discovery of a second family of bismuth-oxide-based superconductors
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              148
_journal_page_last               150
_journal_paper_doi               10.1038/36529
_journal_volume                  390
_journal_year                    1997
_chemical_formula_structural     'Sr Bi O3'
_chemical_formula_sum            'Bi O3 Sr'
_chemical_name_systematic        'Strontium bismuth trioxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.063(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9480(2)
_cell_length_b                   6.0951(2)
_cell_length_c                   8.4854(3)
_cell_volume                     307.6
_refine_ls_R_factor_all          0.071
_cod_database_code               1008815
Discovery of a second family of bismuth-oxide-based superconductors
Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V; Nature (London) 390 (1997) 148–150; doi:10.1038/36529

data_1008816
_publ_section_title
;
Discovery of a second family of bismuth-oxide-based superconductors
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              148
_journal_page_last               150
_journal_paper_doi               10.1038/36529
_journal_volume                  390
_journal_year                    1997
_chemical_formula_structural     '(Sr0.44 K0.56) Bi O3'
_chemical_formula_sum            'Bi K0.56 O3 Sr0.44'
_chemical_name_systematic
;
Strontium potassium bismuth oxide (0.44/0.56/1/3)
;
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9416(2)
_cell_length_b                   5.9416(2)
_cell_length_c                   8.4394(4)
_cell_volume                     297.9
_refine_ls_R_factor_all          0.082
_cod_original_formula_sum        'Bi K.56 O3 Sr.44'
_cod_database_code               1008816
High pressure synthesis and structure of the superconducting mercury cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S
Bordet, P; Loureiro, S; LeFloch, S; Capponi, J J; Chaillout, C; Chenavas, J; Tholence, J L; Antipov, E V; Radaelli, P G; Marezio, M; Physica C (Amsterdam) (152,1988-) 282 (1997) 65–68; doi:

data_1008817
_publ_section_title
;
High pressure synthesis and structure of the superconducting mercury
cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              65
_journal_page_last               68
_journal_volume                  282
_journal_year                    1997
_chemical_formula_analytical     '(Hg0.85 (S O4)0.15) Ba2 Cu O4'
_chemical_formula_structural     'Hg0.88 Ba2 Cu O4.15 (S O4)0.18'
_chemical_formula_sum            'Ba2 Cu Hg0.88 O4.87 S0.18'
_chemical_name_systematic
;
Mercury barium copper oxide sulfate(VI) (0.88/2/1/4.15/0.18)
;
_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                   3.8986(2)
_cell_length_b                   3.8986(2)
_cell_length_c                   9.2466(6)
_cell_volume                     140.5
_refine_ls_R_factor_all          0.013
_cod_original_formula_sum        'Ba2 Cu Hg.88 O4.87 S.18'
_cod_database_code               1008817
Au-1212 : a new superconducting gold cuprate with Tc above 80 K
Bordet, P; Chaillout, C; Gautier, E; Gorius, M F; Le Floch, S; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L; Physica C (Amsterdam) (152,1988-) 282 (1997) 951–952; doi:

data_1008818
_publ_section_title
;
Au-1212 : a new superconducting gold cuprate with Tc above 80 K
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              951
_journal_page_last               952
_journal_volume                  282
_journal_year                    1997
_chemical_formula_structural     'Au Ba2 (Y0.7 Ca0.3) Cu2 O7'
_chemical_formula_sum            'Au Ba2 Ca0.3 Cu2 O7 Y0.7'
_chemical_name_systematic
;
Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)
;
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8298(5)
_cell_length_b                   3.8420(5)
_cell_length_c                   12.111(1)
_cell_volume                     178.2
_refine_ls_R_factor_all          0.067
_cod_original_formula_sum        'Au Ba2 Ca.3 Cu2 O7 Y.7'
_cod_database_code               1008818
Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~
Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.; Superconductor Science and Technology 10 (1997) 598–604; doi:10.1088/0953-2048/10/8/013

data_1008819
_publ_section_title
;
 Single-crystal growth and characterization of the superconductor
 HgBa~2~CuO~4+\d~
;
_journal_coden_ASTM              SUSTEF
_journal_issue                   8
_journal_name_full               'Superconductor Science and Technology'
_journal_page_first              598
_journal_page_last               604
_journal_paper_doi               10.1088/0953-2048/10/8/013
_journal_volume                  10
_journal_year                    1997
_chemical_formula_structural     'Hg Ba2 Cu O4.34'
_chemical_formula_sum            'Ba2 Cu Hg O4.34'
_chemical_name_systematic        'Mercury barium copper oxide (1/2/1/4.34)'
_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                   3.8816(1)
_cell_length_b                   3.8816(1)
_cell_length_c                   9.5163(3)
_cell_volume                     143.4
_refine_ls_R_factor_all          0.038
_cod_database_code               1008819
Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~
Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.; Superconductor Science and Technology 10 (1997) 598–604; doi:10.1088/0953-2048/10/8/013

data_1008820
_publ_section_title
;
 Single-crystal growth and characterization of the superconductor
 HgBa~2~CuO~4+\d~
;
_journal_coden_ASTM              SUSTEF
_journal_issue                   8
_journal_name_full               'Superconductor Science and Technology'
_journal_page_first              598
_journal_page_last               604
_journal_paper_doi               10.1088/0953-2048/10/8/013
_journal_volume                  10
_journal_year                    1997
_chemical_formula_structural     'Hg Ba2 Cu O4.27'
_chemical_formula_sum            'Ba2 Cu Hg O4.27'
_chemical_name_systematic        'Mercury barium copper oxide (1/2/1/4.27)'
_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                   3.8792(1)
_cell_length_b                   3.8792(1)
_cell_length_c                   9.5117(2)
_cell_volume                     143.1
_refine_ls_R_factor_all          0.068
_cod_database_code               1008820