LMucko/crystallography-open-database huggingface dataset:
Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B; Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043–2053; doi:

data_1001750
_publ_section_title
;
Crystallographic and catalytic studies of a new solid solution Cd Mox
W1-x O4
;
_journal_coden_ASTM              JCPBAN
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_page_first              2043
_journal_page_last               2053
_journal_volume                  93
_journal_year                    1996
_chemical_formula_structural     'Cd ((Mo0.5 W0.5) O4)'
_chemical_formula_sum            'Cd Mo0.5 O4 W0.5'
_chemical_name_systematic
;
Cadmium molybdenum tungsten oxide (1/0.5/0.5/4)
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1625(4)
_cell_length_b                   5.1625(4)
_cell_length_c                   11.1616(9)
_cell_volume                     297.5
_refine_ls_R_factor_all          0.021
_cod_original_sg_symbol_H-M      'I 41/a Z'
_cod_original_formula_sum        'Cd Mo.5 O4 W.5'
_cod_database_code               1001750
Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4
Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B; Journal de Chimie Physique et de Physico-Chimie Biologique 93 (1996) 2043–2053; doi:

data_1001751
_publ_section_title
;
Crystallographic and catalytic studies of a new solid solution Cd Mox
W1-x O4
;
_journal_coden_ASTM              JCPBAN
_journal_name_full
;
Journal de Chimie Physique et de Physico-Chimie Biologique
;
_journal_page_first              2043
_journal_page_last               2053
_journal_volume                  93
_journal_year                    1996
_chemical_formula_structural     'Cd (W O4)'
_chemical_formula_sum            'Cd O4 W'
_chemical_name_systematic        'Cadmium tungstate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.519(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0289(4)
_cell_length_b                   5.8596(5)
_cell_length_c                   5.0715(6)
_cell_volume                     149.4
_refine_ls_R_factor_all          0.037
_cod_database_code               1001751
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M; Materials Chemistry and Physics 45 (1996) 33–38; doi:10.1016/0254-0584(96)80044-7

data_1001752
_publ_section_title
;
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with
the 0201 - 1201 intergrowth type structure
;
_journal_coden_ASTM              MCHPDR
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              33
_journal_page_last               38
_journal_paper_doi               10.1016/0254-0584(96)80044-7
_journal_volume                  45
_journal_year                    1996
_chemical_formula_analytical     '(Pb0.53 Hg0.34) Sr4 Fe2 O8.58'
_chemical_formula_structural     '(Pb0.5 Hg0.5)0.865 Sr4 Fe2 O9'
_chemical_formula_sum            'Fe2 Hg0.4325 O9 Pb0.4325 Sr4'
_chemical_name_systematic
;
Lead mercury strontium iron oxide (0.43/0.43/4/2/9)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8056(1)
_cell_length_b                   3.8056(1)
_cell_length_c                   30.48199(100)
_cell_volume                     441.5
_refine_ls_R_factor_all          0.056
_cod_original_formula_sum        'Fe2 Hg.4325 O9 Pb.4325 Sr4'
_cod_database_code               1001752
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with the 0201 - 1201 intergrowth type structure
Nguyen, N; Daniel, P; Groult, D; Raveau, B; Greneche, J M; Materials Chemistry and Physics 45 (1996) 33–38; doi:10.1016/0254-0584(96)80044-7

data_1001753
_publ_section_title
;
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with
the 0201 - 1201 intergrowth type structure
;
_journal_coden_ASTM              MCHPDR
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              33
_journal_page_last               38
_journal_paper_doi               10.1016/0254-0584(96)80044-7
_journal_volume                  45
_journal_year                    1996
_chemical_formula_analytical     '(Pb0.47 Cd0.32) Sr4 Fe2 O8.63'
_chemical_formula_structural     '(Pb0.5 Cd0.5)0.79 Sr4 Fe2 O9'
_chemical_formula_sum            'Cd0.395 Fe2 O9 Pb0.395 Sr4'
_chemical_name_systematic
;
Lead cadmium strontium iron oxide (0.4/0.4/4/2/9)
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8084(2)
_cell_length_b                   3.8084(2)
_cell_length_c                   30.45299(100)
_cell_volume                     441.7
_refine_ls_R_factor_all          0.085
_cod_original_formula_sum        'Cd.395 Fe2 O9 Pb.395 Sr4'
_cod_database_code               1001753
Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten monophosphate Li0.5 Mo W O3 (P O4)2
Leclaire, A; Borel, M M; Chardon, J; Raveau, B; Materials Research Bulletin 31 (1996) 1257–1262; doi:10.1016/0025-5408(96)00116-X

data_1001754
_publ_section_title
;
Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten
monophosphate Li0.5 Mo W O3 (P O4)2
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   10
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1257
_journal_page_last               1262
_journal_paper_doi               10.1016/0025-5408(96)00116-X
_journal_volume                  31
_journal_year                    1996
_chemical_formula_structural     'Li0.5 Mo W O3 (P O4)2'
_chemical_formula_sum            'Li0.5 Mo O11 P2 W'
_chemical_name_systematic
;
Lithium molybdenum tungsten oxide phosphate (0.5/1/1/3/2)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.97(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.735(1)
_cell_length_b                   12.655(1)
_cell_length_c                   8.324(1)
_cell_volume                     783.4
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'Li.5 Mo O11 P2 W'
_cod_database_code               1001754
Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4 superconductor
Letouze, F; Huve, M; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B; Materials Research Bulletin 31 (1996) 657–663; doi:10.1016/0025-5408(96)00049-9

data_1001755
_publ_section_title
;
Introduction of lanthanide on the mercury site of the Hg Ba2 Cu O4
superconductor
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   6
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              657
_journal_page_last               663
_journal_paper_doi               10.1016/0025-5408(96)00049-9
_journal_volume                  31
_journal_year                    1996
_chemical_formula_structural     '(Hg0.85 Ce0.15) Ba2 Cu O4.15'
_chemical_formula_sum            'Ba2 Ce0.15 Cu Hg0.85 O4.15'
_chemical_name_systematic
;
Mercury cerium barium copper oxide (0.85/0.15/2/1/4.15)
;
_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                   3.8801(2)
_cell_length_b                   3.8801(2)
_cell_length_c                   9.495(1)
_cell_volume                     142.9
_refine_ls_R_factor_all          0.078
_cod_original_formula_sum        'Ba2 Ce.15 Cu Hg.85 O4.15'
_cod_database_code               1001755
A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu O5 structures: Ba3 Tl2 O5 Cl2
Letouze, F; Martin, C; Pelloquin, D; Michel, C; Hervieu, M; Raveau, B; Materials Research Bulletin 31 (1996) 773–780; doi:10.1016/0025-5408(96)00065-7

data_1001756
_publ_section_title
;
A thallium oxychloride closely related to the Sr3 Ti2 O7 and Y Ba Fe Cu
O5 structures: Ba3 Tl2 O5 Cl2
;
_journal_coden_ASTM              MRBUAC
_journal_issue                   7
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              773
_journal_page_last               780
_journal_paper_doi               10.1016/0025-5408(96)00065-7
_journal_volume                  31
_journal_year                    1996
_chemical_formula_structural     'Tl2 Ba3 Cl2 O5'
_chemical_formula_sum            'Ba3 Cl2 O5 Tl2'
_chemical_name_systematic        'Dithallium tribarium dichloride pentaoxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.3499(2)
_cell_length_b                   4.3499(2)
_cell_length_c                   25.36699(100)
_cell_volume                     480.0
_refine_ls_R_factor_all          0.059
_cod_database_code               1001756
Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.; Physica B: Condensed Matter 228 (1996) 251–260; doi:10.1016/S0921-4526(96)00488-7

data_1001757
_publ_section_title
;
Neutron diffraction and Moessbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
;
_journal_coden_ASTM              PHYBE3
_journal_issue                   3-4
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              251
_journal_page_last               260
_journal_paper_doi               10.1016/S0921-4526(96)00488-7
_journal_volume                  228
_journal_year                    1996
_chemical_formula_structural     '(Tl0.5 Pb0.5) Sr3 Fe2 O8'
_chemical_formula_sum            'Fe2 O8 Pb0.5 Sr3 Tl0.5'
_chemical_name_systematic
;
Thallium lead strontium iron oxide (0.5/0.5/3/2/8)
;
_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                   3.81474(6)
_cell_length_b                   3.81474(6)
_cell_length_c                   12.8293(3)
_cell_volume                     186.7
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'Fe2 O8 Pb.5 Sr3 Tl.5'
_cod_database_code               1001757
Neutron diffraction and Moessbauer spectroscopy studies of the mixed valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
Nguyen, N.; Groult, D.; Caignaert, V.; Ducouret, A.; Raveau, B.; Physica B: Condensed Matter 228 (1996) 251–260; doi:10.1016/S0921-4526(96)00488-7

data_1001758
_publ_section_title
;
Neutron diffraction and Moessbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl~0.5~Pb~0.5~)Sr~3~Fe~2~O~8~
;
_journal_coden_ASTM              PHYBE3
_journal_issue                   3-4
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              251
_journal_page_last               260
_journal_paper_doi               10.1016/S0921-4526(96)00488-7
_journal_volume                  228
_journal_year                    1996
_chemical_formula_structural     '(Tl0.5 Pb0.5) Sr3 Fe2 O8'
_chemical_formula_sum            'Fe2 O8 Pb0.5 Sr3 Tl0.5'
_chemical_name_systematic
;
Thallium lead strontium iron oxide (0.5/0.5/3/2/8)
;
_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                   3.81002(5)
_cell_length_b                   3.81002(5)
_cell_length_c                   12.7964(2)
_cell_volume                     185.8
_refine_ls_R_factor_all          0.036
_cod_original_formula_sum        'Fe2 O8 Pb.5 Sr3 Tl.5'
_cod_database_code               1001758
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B; Physica C (Amsterdam) (152,1988-) 257 (1996) 195–209; doi:10.1016/0921-4534(95)00722-9

data_1001759
_publ_section_title
;
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2-
x Lax Cu O5-d
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              195
_journal_page_last               209
_journal_paper_doi               10.1016/0921-4534(95)00722-9
_journal_volume                  257
_journal_year                    1996
_chemical_formula_structural     'Hg0.5 Bi0.5 Sr2 Cu O4.92'
_chemical_formula_sum            'Bi0.5 Cu Hg0.5 O4.92 Sr2'
_chemical_name_systematic
;
Mercury bismuth strontium copper oxide (0.5/0.5/2/1/4.92)
;
_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                   3.7652(1)
_cell_length_b                   3.7652(1)
_cell_length_c                   8.9428(3)
_cell_volume                     126.8
_refine_ls_R_factor_all          0.043
_cod_original_formula_sum        'Bi.5 Cu Hg.5 O4.92 Sr2'
_cod_database_code               1001759
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2- x Lax Cu O5-d
Pelloquin, D; Michel, C; Hervieu, M; Studer, F; Raveau, B; Physica C (Amsterdam) (152,1988-) 257 (1996) 195–209; doi:10.1016/0921-4534(95)00722-9

data_1001760
_publ_section_title
;
On the crystal structure of the "1201" superconductors Hg0.5 Bi0.5 Sr2-
x Lax Cu O5-d
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              195
_journal_page_last               209
_journal_paper_doi               10.1016/0921-4534(95)00722-9
_journal_volume                  257
_journal_year                    1996
_chemical_formula_structural     '(Hg0.5 Bi0.5) (Sr1.5 La0.5) Cu O5'
_chemical_formula_sum            'Bi0.5 Cu Hg0.5 La0.5 O5 Sr1.5'
_chemical_name_systematic
;
Mercury bismuth strontium lanthanum copper oxide (0.5/0.5/1.5/0.5/1/5)
;
_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                   3.7769(1)
_cell_length_b                   3.7769(1)
_cell_length_c                   8.8252(3)
_cell_volume                     125.9
_refine_ls_R_factor_all          0.046
_cod_original_formula_sum        'Bi.5 Cu Hg.5 La.5 O5 Sr1.5'
_cod_database_code               1001760
Neutron diffraction structure determination of the superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16
Michel, C; Letouze, F; Martin, C; Hervieu, M; Raveau, B; Physica C (Amsterdam) (152,1988-) 262 (1996) 159–167; doi:10.1016/0921-4534(96)00239-0

data_1001761
_publ_section_title
;
Neutron diffraction structure determination of the superconducting
copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              159
_journal_page_last               167
_journal_paper_doi               10.1016/0921-4534(96)00239-0
_journal_volume                  262
_journal_year                    1996
_chemical_formula_structural     'Tl3 Sr8 Cu4 (Cr O4) O15.9'
_chemical_formula_sum            'Cr Cu4 O19.9 Sr8 Tl3'
_chemical_name_systematic
;
Thallium strontium copper chromate oxide (3/8/4/1/15.9)
;
_space_group_IT_number           35
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_Hall  'A -2 2'
_symmetry_space_group_name_H-M   'A 2 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.7803(1)
_cell_length_b                   15.2573(2)
_cell_length_c                   17.67369(30)
_cell_volume                     1019.4
_refine_ls_R_factor_all          0.044
_cod_database_code               1001761
Single crystal study of the "1201" superconductor Hg0.8 Bi0.2 Ba2 Cu O4+d
Pelloquin, D; Maignan, A; Guesdon, A; Hardy, V; Raveau, B; Physica C (Amsterdam) (152,1988-) 265 (1996) 5–12; doi:10.1016/0921-4534(96)00296-1

data_1001762
_publ_section_title
;
Single crystal study of the "1201" superconductor Hg0.8 Bi0.2 Ba2 Cu
O4+d
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              5
_journal_page_last               12
_journal_paper_doi               10.1016/0921-4534(96)00296-1
_journal_volume                  265
_journal_year                    1996
_chemical_formula_structural     '(Hg0.78 Bi0.22) Ba2 Cu O4.28'
_chemical_formula_sum            'Ba2 Bi0.22 Cu Hg0.78 O4.28'
_chemical_name_systematic
;
Mercury bismuth barium copper oxide (0.8/0.2/2/1/4.28)
;
_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                   3.8800(4)
_cell_length_b                   3.8800(4)
_cell_length_c                   9.492(2)
_cell_volume                     142.9
_refine_ls_R_factor_all          0.063
_cod_original_formula_sum        'Ba2 Bi.22 Cu Hg.78 O4.28'
_cod_database_code               1001762
Modulated ordering of bismuth and strontium in the "1201" cuprate (Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d
Michel, C; Hervieu, M; Martin, C; Maignan, A; Huve, M; Raveau, B; Physica C (Amsterdam) (152,1988-) 271 (1996) 111–121; doi:10.1016/S0921-4534(96)00527-8

data_1001763
_publ_section_title
;
Modulated ordering of bismuth and strontium in the "1201" cuprate
(Tl2/3 Bi1/3)0.97 Sr1.86 Bi0.14 Cu O5-d
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              111
_journal_page_last               121
_journal_paper_doi               10.1016/S0921-4534(96)00527-8
_journal_volume                  271
_journal_year                    1996
_chemical_formula_structural
;
(Tl0.67 Bi0.33)0.97 (Sr1.86 Bi0.14) Cu O4.99
;
_chemical_formula_sum            'Bi0.4601 Cu O4.99 Sr1.86 Tl0.6499'
_chemical_name_systematic
;
Thallium bismuth strontium copper oxide (0.65/0.46/1.86/1/4.99)
;
_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                   3.7619(1)
_cell_length_b                   3.7619(1)
_cell_length_c                   8.9984(4)
_cell_volume                     127.3
_refine_ls_R_factor_all          0.032
_cod_original_formula_sum        'Bi.4601 Cu O4.99 Sr1.86 Tl.6499'
_cod_database_code               1001763
Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism
Pelloquin, D; Hardy, V; Maignan, A; Raveau, B; Physica C (Amsterdam) (152,1988-) 273 (1997) 205–212; doi:10.1016/S0921-4534(96)00627-2

data_1001764
_publ_section_title
;
Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d:
growth, structure and magnetism
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              205
_journal_page_last               212
_journal_paper_doi               10.1016/S0921-4534(96)00627-2
_journal_volume                  273
_journal_year                    1997
_chemical_formula_structural     '(Hg0.84 Cu0.16) Ba2 Cu O4.19'
_chemical_formula_sum            'Ba2 Cu1.16 Hg0.84 O4.19'
_chemical_name_systematic
;
Mercury barium copper oxide (0.84/2/1.16/4.19)
;
_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                   3.8845(3)
_cell_length_b                   3.8845(3)
_cell_length_c                   9.5237(9)
_cell_volume                     143.7
_refine_ls_R_factor_all          0.059
_cod_original_formula_sum        'Ba2 Cu1.16 Hg.84 O4.19'
_cod_database_code               1001764