LMucko/crystallography-open-database huggingface dataset:
Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques
Billy, M; Labbe, J C; Selvaraj, A; Roult, G; Materials Research Bulletin 15 (1980) 1207–1213; doi:10.1016/0025-5408(80)90022-7

data_1001781
_publ_section_title
;
Modifications structurales de l'oxynitrure de silicium sous contraintes
thermiques
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1207
_journal_page_last               1213
_journal_paper_doi               10.1016/0025-5408(80)90022-7
_journal_volume                  15
_journal_year                    1980
_chemical_compound_source        synthetic
_chemical_formula_structural     'Si2 N2 O'
_chemical_formula_sum            'N2 O Si2'
_chemical_name_mineral           Sinoite
_chemical_name_systematic        'Disilicon dinitride oxide'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.884(2)
_cell_length_b                   5.522(1)
_cell_length_c                   4.873(1)
_cell_volume                     239.1
_refine_ls_R_factor_all          0.08
_cod_database_code               1001781
Affinement de la structure de la vivianite Fe3(PO4)2*8H2O Locality: synthetic
Fejdi, P.; Poullen, J. F.; Gasperin, M.; Bulletin de Mineralogie 103 (1980) 135–138; doi:

data_1001782
_publ_section_title
;
 Affinement de la structure de la vivianite Fe3(PO4)2*8H2O
 Locality: synthetic
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              135
_journal_page_last               138
_journal_volume                  103
_journal_year                    1980
_chemical_compound_source        'from Huanuni tin mine, Bolivia'
_chemical_formula_structural     'Fe3 (P O4)2 (H2 O)8'
_chemical_formula_sum            'Fe3 H16 O16 P2'
_chemical_name_mineral           Vivianite
_chemical_name_systematic        'Triiron bis(phosphate(V)) octahydrate'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.27(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.086(3)
_cell_length_b                   13.441(4)
_cell_length_c                   4.703(2)
_cell_volume                     617.9
_exptl_crystal_density_meas      2.69
_refine_ls_R_factor_all          0.041
_cod_original_formula_sum        'H16 Fe3 O16 P2'
_cod_database_code               1001782
_database_code_amcsd 0012069
Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)
Dormann, J.; Gasperin, M.; Poullen, J. F.; Bulletin de Mineralogie 105 (1982) 147–160; doi:

data_1001783
_publ_section_title
'Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)'
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              147
_journal_page_last               160
_journal_volume                  105
_journal_year                    1982
_chemical_compound_source        'from Kamysch-Burun, USSR'
_chemical_formula_structural     'Fe3 (P O4)2 (H2 O)8'
_chemical_formula_sum            'Fe3 H16 O16 P2'
_chemical_name_mineral           Metavivianite
_chemical_name_systematic        'Triiron bis(phosphate(V)) octahydrate'
_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                95.04(1)
_cell_angle_beta                 96.94(1)
_cell_angle_gamma                107.72(1)
_cell_formula_units_Z            1
_cell_length_a                   7.84(1)
_cell_length_b                   9.11(1)
_cell_length_c                   4.67(1)
_cell_volume                     312.6
_exptl_crystal_density_meas      2.69
_refine_ls_R_factor_all          0.133
_cod_original_formula_sum        'H16 Fe3 O16 P2'
_cod_database_code               1001783
_database_code_amcsd 0012078
Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique
Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M; Acta Crystallographica B (39,1983-) 41 (1985) 209–213; doi:

data_1001784
_publ_section_title
;
Structure du disulfate acide de triammonium. Une redetermination.
Relations des chaines de liaisons hydrogene avec la morphologie et la
conductivite eletrique
;
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              209
_journal_page_last               213
_journal_volume                  41
_journal_year                    1985
_chemical_compound_source        synthetic
_chemical_formula_structural     '(N H4)3 H (S O4)2'
_chemical_formula_sum            'H13 N3 O8 S2'
_chemical_name_mineral           Letovicite
_chemical_name_systematic        'Ammonium hydrogensulfate sulfate(VI)'
_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                 101.829(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.435(2)
_cell_length_b                   5.865(1)
_cell_length_c                   10.1696(8)
_cell_volume                     901.1
_exptl_crystal_density_meas      1.83
_refine_ls_R_factor_all          0.029
_cod_database_code               1001784
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G; Materials Research Bulletin 23 (1988) 1087–1099; doi:10.1016/0025-5408(88)90198-5

data_1001785
_publ_section_title
;
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et
Endommagement par Irradiation aux Neutrons Rapides
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1087
_journal_page_last               1099
_journal_paper_doi               10.1016/0025-5408(88)90198-5
_journal_volume                  23
_journal_year                    1988
_chemical_compound_source        synthetic
_chemical_formula_structural     'Si2 N2 O'
_chemical_formula_sum            'N2 O Si2'
_chemical_name_mineral           Sinoite
_chemical_name_systematic        'Disilicon dinitride oxide'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8709(4)
_cell_length_b                   5.4907(2)
_cell_length_c                   4.8500(2)
_cell_volume                     236.2
_exptl_crystal_density_meas      2.77
_cod_database_code               1001785
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides
Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G; Materials Research Bulletin 23 (1988) 1087–1099; doi:10.1016/0025-5408(88)90198-5

data_1001786
_publ_section_title
;
L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et
Endommagement par Irradiation aux Neutrons Rapides
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1087
_journal_page_last               1099
_journal_paper_doi               10.1016/0025-5408(88)90198-5
_journal_volume                  23
_journal_year                    1988
_chemical_compound_source        synthetic
_chemical_formula_structural     'Si2 N2 O'
_chemical_formula_sum            'N2 O Si2'
_chemical_name_mineral           'Sinoite irradiated'
_chemical_name_systematic
;
Disilicon dinitride oxide - irradiated sample
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8911(2)
_cell_length_b                   5.4781(3)
_cell_length_c                   4.8302(2)
_cell_volume                     235.3
_exptl_crystal_density_meas      2.77
_cod_database_code               1001786
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C; Acta Crystallographica B (39,1983-) 49 (1993) 812–817; doi:

data_1001787
_publ_section_title
;
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
;
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              812
_journal_page_last               817
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     'Ca (O H)2'
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_chemical_name_systematic        'Calcium hydroxide'
_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                   3.589(8)
_cell_length_b                   3.589(8)
_cell_length_c                   4.911(14)
_cell_volume                     54.8
_exptl_crystal_density_meas      2.24
_refine_ls_R_factor_all          0.025
_cod_original_formula_sum        'H2 Ca O2'
_cod_database_code               1001787
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C; Acta Crystallographica B (39,1983-) 49 (1993) 812–817; doi:

data_1001788
_publ_section_title
;
Hydrogen thermal motion in calcium hydroxide: Ca (O H)2
;
_journal_coden_ASTM              ASBSDK
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              812
_journal_page_last               817
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        'synthetic by slow diffusion'
_chemical_formula_structural     'Ca (O H)2'
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_chemical_name_systematic        'Calcium hydroxide'
_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                   3.589(8)
_cell_length_b                   3.589(8)
_cell_length_c                   4.911(14)
_cell_volume                     54.8
_exptl_crystal_density_meas      2.24
_refine_ls_R_factor_all          0.018
_cod_original_formula_sum        'H2 Ca O2'
_cod_database_code               1001788
A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7
Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B; Chemistry of Materials (1,1989- 9 (1997) 2205–2211; doi:10.1021/cm970370v

data_1001789
_publ_section_title
;
A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2
(N O3)1/2 O7
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              2205
_journal_page_last               2211
_journal_paper_doi               10.1021/cm970370v
_journal_volume                  9
_journal_year                    1997
_chemical_formula_structural
;
(Tl0.85 Cr0.15) Sr4 Cu2 (C O3)0.5 (N O3)0.5 O7
;
_chemical_formula_sum            'C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85'
_chemical_name_systematic
;
Thallium chromium strontium copper carbonate nitrate oxide
(0.85/0.15/4/2/0.5/0.5/7)
;
_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                   3.8320(1)
_cell_length_b                   3.8320(1)
_cell_length_c                   16.41119(50)
_cell_volume                     241.0
_refine_ls_R_factor_all          0.052
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from
 'Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85' to 'C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'Cr.15 Cu2 N.5 O10 Sr4 Tl.85'
_cod_database_code               1001789
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Sundaresan, A; Michel, C; Raveau, B; Huong, P V; Chemistry of Materials (1,1989- 9 (1997) 2212–2217; doi:10.1021/cm970377c

data_1001790
_publ_section_title
;
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x
Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement,
infrared absorption, and Raman scattering studies
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              2212
_journal_page_last               2217
_journal_paper_doi               10.1021/cm970377c
_journal_volume                  9
_journal_year                    1997
_chemical_formula_structural     'Tl Ba2 (Ca0.424 Pr0.576) Cu2 O7'
_chemical_formula_sum            'Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl'
_chemical_name_systematic
;
Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)
;
_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                   3.88416(3)
_cell_length_b                   3.88416(3)
_cell_length_c                   12.5430(2)
_cell_volume                     189.2
_refine_ls_R_factor_all          0.068
_cod_original_formula_sum        'Ba2 Ca.424 Cu2 O7 Pr.576 Tl'
_cod_database_code               1001790
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Sundaresan, A; Michel, C; Raveau, B; Huong, P V; Chemistry of Materials (1,1989- 9 (1997) 2212–2217; doi:10.1021/cm970377c

data_1001791
_publ_section_title
;
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x
Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement,
infrared absorption, and Raman scattering studies
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              2212
_journal_page_last               2217
_journal_paper_doi               10.1021/cm970377c
_journal_volume                  9
_journal_year                    1997
_chemical_formula_structural     'Tl0.964 (Ba Sr) (Ca0.432 Pr0.568) Cu2 O6.98'
_chemical_formula_sum            'Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964'
_chemical_name_systematic
;
Thallium barium strontium calcium praseodymium copper oxide
(0.96/1/1/0.43/0.57/2/6.98)
;
_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                   3.85262(4)
_cell_length_b                   3.85262(4)
_cell_length_c                   12.2813(2)
_cell_volume                     182.3
_refine_ls_R_factor_all          0.07
_cod_original_formula_sum        'Ba Ca.432 Cu2 O6.98 Pr.568 Sr Tl.964'
_cod_database_code               1001791
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies
Sundaresan, A; Michel, C; Raveau, B; Huong, P V; Chemistry of Materials (1,1989- 9 (1997) 2212–2217; doi:10.1021/cm970377c

data_1001792
_publ_section_title
;
Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x
Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement,
infrared absorption, and Raman scattering studies
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              2212
_journal_page_last               2217
_journal_paper_doi               10.1021/cm970377c
_journal_volume                  9
_journal_year                    1997
_chemical_formula_structural     'Tl0.94 Sr2 (Ca0.48 Pr0.52) Cu2 O6.96'
_chemical_formula_sum            'Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94'
_chemical_name_systematic
;
Thallium strontium calcium praseodymium copper oxide
(0.94/2/0.48/0.52/2/6.96)
;
_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                   3.82620(8)
_cell_length_b                   3.82620(8)
_cell_length_c                   12.1262(3)
_cell_volume                     177.5
_refine_ls_R_factor_all          0.06
_cod_original_formula_sum        'Ca.48 Cu2 O6.96 Pr.52 Sr2 Tl.94'
_cod_database_code               1001792
Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7
Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B; European Journal of Solid State Inorganic Chemistry 34 (1997) 983–990; doi:

data_1001793
_publ_section_title
;
Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4
Cu1.85 Fe0.30 (C O3) O7
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              983
_journal_page_last               990
_journal_volume                  34
_journal_year                    1997
_chemical_formula_structural     'Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7'
_chemical_formula_sum            'C Cu1.85 Fe0.3 O10 Sr4 Tl0.85'
_chemical_name_systematic
;
Thallium strontium copper iron(III) carbonate oxide
(0.85/4/1.85/0.30/1/7)
;
_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                   3.8246(1)
_cell_length_b                   3.8246(1)
_cell_length_c                   16.5069(4)
_cell_volume                     241.5
_refine_ls_R_factor_all          0.063
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from
 'Cu1.85 Fe0.3 O10 Sr4 Tl0.85' to 'C Cu1.85 Fe0.3 O10 Sr4 Tl0.85'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'Cu1.85 Fe.3 O10 Sr4 Tl.85'
_cod_database_code               1001793
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B; European Journal of Solid State Inorganic Chemistry 34 (1997) 1063–1074; doi:

data_1001794
_publ_section_title
;
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              1063
_journal_page_last               1074
_journal_volume                  34
_journal_year                    1997
_chemical_formula_structural     '(Hg0.69 V0.31) (Ba1.95 Sr0.05) Ca Cu2 O7'
_chemical_formula_sum            'Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31'
_chemical_name_systematic
;
Mercury vanadium barium strontium calcium copper oxide
(0.69/0.31/1.95/0.05/1/2/7)
;
_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                   3.8687(2)
_cell_length_b                   3.8687(2)
_cell_length_c                   12.496(1)
_cell_volume                     187.0
_refine_ls_R_factor_all          0.065
_cod_original_formula_sum        'Ba1.95 Ca Cu2 Hg.69 O7 Sr.05 V.31'
_cod_database_code               1001794
Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B; European Journal of Solid State Inorganic Chemistry 34 (1997) 1063–1074; doi:

data_1001795
_publ_section_title
;
Structural evolution and physical properties of the 1212 superconductor
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              1063
_journal_page_last               1074
_journal_volume                  34
_journal_year                    1997
_chemical_formula_structural     '(Hg0.67 V0.33) (Ba1.70 Sr0.30) Ca Cu2 O7'
_chemical_formula_sum            'Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33'
_chemical_name_systematic
;
Mercury vanadium barium strontium calcium copper oxide
(0.67/0.33/1.70/0.30/1/2/7)
;
_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                   3.8643(3)
_cell_length_b                   3.8643(3)
_cell_length_c                   12.445(1)
_cell_volume                     185.8
_refine_ls_R_factor_all          0.058
_cod_original_formula_sum        'Ba1.7 Ca Cu2 Hg.67 O7 Sr.3 V.33'
_cod_database_code               1001795