LMucko/crystallography-open-database huggingface dataset:
Chemical and structural characterization of a new barium ceroplatinate: Ba~2~CePtO~6~ a double perovskite mixed oxide
Ouchetto, K; Archaimbault, F; Pineau, A; Choisnet, J; Journal of Materials Science. Letters 10 (1991) 1277–1279; doi:10.1007/BF00720945

data_1001469
_publ_section_title
;
Chemical and structural characterization of a new barium ceroplatinate:
Ba~2~CePtO~6~ a double perovskite mixed oxide
;
_journal_coden_ASTM              JMSLD5
_journal_name_full               'Journal of Materials Science. Letters'
_journal_page_first              1277
_journal_page_last               1279
_journal_paper_doi               10.1007/BF00720945
_journal_volume                  10
_journal_year                    1991
_chemical_formula_structural     'Ba2 Ce Pt O6'
_chemical_formula_sum            'Ba2 Ce O6 Pt'
_chemical_name_systematic        'Dibarium cerium(IV) platinum(IV) oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4088(3)
_cell_length_b                   8.4088(3)
_cell_length_c                   8.4088(3)
_cell_volume                     594.6
_refine_ls_R_factor_all          0.031
_cod_database_code               1001469
An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~
Michel, C; Caignaert, V; Raveau, B; Journal of Solid State Chemistry 90 (1991) 296–301; doi:10.1016/0022-4596(91)90146-9

data_1001470
_publ_section_title
;
An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              296
_journal_page_last               301
_journal_paper_doi               10.1016/0022-4596(91)90146-9
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Bi8 La10 O27'
_chemical_formula_sum            'Bi8 La10 O27'
_chemical_name_systematic        'Bismuth lanthanum oxide (8/10/27)'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.079(2)
_cell_length_b                   16.348(4)
_cell_length_c                   4.0988(5)
_cell_volume                     809.4
_refine_ls_R_factor_all          0.071
_cod_database_code               1001470
An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~
Michel, C; Caignaert, V; Raveau, B; Journal of Solid State Chemistry 90 (1991) 296–301; doi:10.1016/0022-4596(91)90146-9

data_1001471
_publ_section_title
;
An oxygen deficient fluorite with a tunnel structure: Bi~8~La~10~O~27~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              296
_journal_page_last               301
_journal_paper_doi               10.1016/0022-4596(91)90146-9
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Bi8 La10 O27'
_chemical_formula_sum            'Bi8 La10 O27'
_chemical_name_systematic        'Bismuth lanthanum oxide (8/10/27)'
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.079(2)
_cell_length_b                   16.348(4)
_cell_length_c                   4.0988(5)
_cell_volume                     809.4
_refine_ls_R_factor_all          0.051
_cod_database_code               1001471
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~
Battle, P D; Jones, C W; Studer, F; Journal of Solid State Chemistry 90 (1991) 302–312; doi:10.1016/0022-4596(91)90147-A

data_1001472
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              302
_journal_page_last               312
_journal_paper_doi               10.1016/0022-4596(91)90147-A
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Sr2 Er (Ru O6)'
_chemical_formula_sum            'Er O6 Ru Sr2'
_chemical_name_systematic        'Strontium erbium ruthenate(V)'
_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                 90.19(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7626(2)
_cell_length_b                   5.7681(2)
_cell_length_c                   8.1489(2)
_cell_volume                     270.9
_refine_ls_R_factor_all          0.032
_cod_database_code               1001472
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~
Battle, P D; Jones, C W; Studer, F; Journal of Solid State Chemistry 90 (1991) 302–312; doi:10.1016/0022-4596(91)90147-A

data_1001473
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              302
_journal_page_last               312
_journal_paper_doi               10.1016/0022-4596(91)90147-A
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Sr2 Er (Ru O6)'
_chemical_formula_sum            'Er O6 Ru Sr2'
_chemical_name_systematic        'Distrontium erbium ruthenate(V)'
_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                 90.22(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7500(2)
_cell_length_b                   5.7636(2)
_cell_length_c                   8.1354(3)
_cell_volume                     269.6
_refine_ls_R_factor_all          0.027
_cod_database_code               1001473
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~
Battle, P D; Jones, C W; Studer, F; Journal of Solid State Chemistry 90 (1991) 302–312; doi:10.1016/0022-4596(91)90147-A

data_1001474
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              302
_journal_page_last               312
_journal_paper_doi               10.1016/0022-4596(91)90147-A
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Ca2 Nd (Ru O6)'
_chemical_formula_sum            'Ca2 Nd O6 Ru'
_chemical_name_systematic        'Dicalcium neodymium ruthenate(V)'
_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                 90.07(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5564(1)
_cell_length_b                   5.8296(1)
_cell_length_c                   8.0085(1)
_cell_volume                     259.4
_refine_ls_R_factor_all          0.047
_cod_database_code               1001474
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~
Battle, P D; Jones, C W; Studer, F; Journal of Solid State Chemistry 90 (1991) 302–312; doi:10.1016/0022-4596(91)90147-A

data_1001475
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              302
_journal_page_last               312
_journal_paper_doi               10.1016/0022-4596(91)90147-A
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Ca2 Nd (Ru O6)'
_chemical_formula_sum            'Ca2 Nd O6 Ru'
_chemical_name_systematic        'Dicalcium neodymium ruthenate(V)'
_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                 90.06(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5439(1)
_cell_length_b                   5.8282(1)
_cell_length_c                   7.9931(1)
_cell_volume                     258.3
_refine_ls_R_factor_all          0.047
_cod_database_code               1001475
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and Sr~2~ErRuO~6~
Battle, P D; Jones, C W; Studer, F; Journal of Solid State Chemistry 90 (1991) 302–312; doi:10.1016/0022-4596(91)90147-A

data_1001476
_publ_section_title
;
The crystal and magnetic structures of Ca~2~NdRuO~6~,Ca~2~HoRuO~6~ and
Sr~2~ErRuO~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              302
_journal_page_last               312
_journal_paper_doi               10.1016/0022-4596(91)90147-A
_journal_volume                  90
_journal_year                    1991
_chemical_formula_structural     'Ca2 Ho (Ru O6)'
_chemical_formula_sum            'Ca2 Ho O6 Ru'
_chemical_name_systematic        'Dicalcium holmium ruthenate(V)'
_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                 90.18(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4991(1)
_cell_length_b                   5.7725(1)
_cell_length_c                   7.9381(2)
_cell_volume                     252.0
_refine_ls_R_factor_all          0.043
_cod_database_code               1001476
A new vanadium III potassium phosphate with a cage structure: K~6~V~2~P~4~O~16~
Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 91 (1991) 264–270; doi:10.1016/0022-4596(91)90080-2

data_1001477
_publ_section_title
;
A new vanadium III potassium phosphate with a cage structure:
K~6~V~2~P~4~O~16~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              264
_journal_page_last               270
_journal_paper_doi               10.1016/0022-4596(91)90080-2
_journal_volume                  91
_journal_year                    1991
_chemical_formula_structural     'K6 (V2 P4 O16)'
_chemical_formula_sum            'K6 O16 P4 V2'
_chemical_name_systematic
;
Potassium tecto-divanadato(III)tetraphosphate
;
_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                 121.67(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.578(1)
_cell_length_b                   11.097(1)
_cell_length_c                   18.127(2)
_cell_volume                     1639.8
_refine_ls_R_factor_all          0.041
_cod_database_code               1001477
The niobium phosphate bronze $-beta-K~2~Na~2-x~Nb~8~P~5~O~34~, second form of the first member of the series (K~3~Nb~6~P~4~O~26~)~n~KNb~2~PO~8~
Benabbas, A; Borel, M M; Grandin, A; Chardon, J; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 91 (1991) 323–330; doi:10.1016/0022-4596(91)90087-X

data_1001478
_publ_section_title
;
The niobium phosphate bronze $-beta-K~2~Na~2-x~Nb~8~P~5~O~34~, second
form of the first member of the series
(K~3~Nb~6~P~4~O~26~)~n~KNb~2~PO~8~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              323
_journal_page_last               330
_journal_paper_doi               10.1016/0022-4596(91)90087-X
_journal_volume                  91
_journal_year                    1991
_chemical_formula_structural     'K2 Na1.73 Nb8 (P5 O34)'
_chemical_formula_sum            'K2 Na1.73 Nb8 O34 P5'
_chemical_name_systematic
;
Potassium sodium niobium phosphate * - $-beta
;
_space_group_IT_number           115
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      115
_symmetry_space_group_name_Hall  'P -4 -2'
_symmetry_space_group_name_H-M   'P -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.612(1)
_cell_length_b                   10.612(1)
_cell_length_c                   6.384(1)
_cell_volume                     718.9
_refine_ls_R_factor_all          0.032
_cod_database_code               1001478
Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta
Labbe, P; Ledesert, M; Caignaert, V; Raveau, B; Journal of Solid State Chemistry 91 (1991) 362–369; doi:10.1016/0022-4596(91)90091-U

data_1001479
_publ_section_title
;
Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and
Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              362
_journal_page_last               369
_journal_paper_doi               10.1016/0022-4596(91)90091-U
_journal_volume                  91
_journal_year                    1991
_chemical_formula_structural     '(Nd Sr) Cu O3.56'
_chemical_formula_sum            'Cu Nd O3.56 Sr'
_chemical_name_systematic
;
Neodymium strontium copper oxide (1/1/1/3.6)
;
_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                   3.7431(4)
_cell_length_b                   3.7431(4)
_cell_length_c                   12.839(1)
_cell_volume                     179.9
_refine_ls_R_factor_all          0.03
_cod_database_code               1001479
Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta
Labbe, P; Ledesert, M; Caignaert, V; Raveau, B; Journal of Solid State Chemistry 91 (1991) 362–369; doi:10.1016/0022-4596(91)90091-U

data_1001480
_publ_section_title
;
Structural peculiarities of two layered cuprates, NdSrCuO~3.5~ and
Nd~1.8~Sr~1.2~Cu~2~O~6-d~elta
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              362
_journal_page_last               369
_journal_paper_doi               10.1016/0022-4596(91)90091-U
_journal_volume                  91
_journal_year                    1991
_chemical_formula_structural     '(Nd1.79 Sr1.21) Cu2 O6'
_chemical_formula_sum            'Cu2 Nd1.79 O6 Sr1.21'
_chemical_name_systematic
;
Neodymium strontium copper oxide (1.8/1.2/2/6)
;
_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                   3.8365(4)
_cell_length_b                   3.8365(4)
_cell_length_c                   19.652(2)
_cell_volume                     289.3
_refine_ls_R_factor_all          0.034
_cod_database_code               1001480
A niobium phosphate "bronze" closely related to the Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 92 (1991) 51–56; doi:10.1016/0022-4596(91)90241-9

data_1001481
_publ_section_title
;
A niobium phosphate "bronze" closely related to the
Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              51
_journal_page_last               56
_journal_paper_doi               10.1016/0022-4596(91)90241-9
_journal_volume                  92
_journal_year                    1991
_chemical_formula_structural     'Na6 (Nb8 P2 O29) (P3 O6)'
_chemical_formula_sum            'Na6 Nb8 O35 P5'
_chemical_name_systematic        'Sodium phyllo-niobatophosphate *'
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.9185(5)
_cell_length_b                   8.9185(5)
_cell_length_c                   30.055(11)
_cell_volume                     2070.3
_refine_ls_R_factor_all          0.037
_cod_original_sg_symbol_H-M      'R 3 2 H'
_cod_database_code               1001481
BaNdCe~0.9~Fe~1+x~Cu~1-x~O~7-d~: an intergrowth of the BaYFeCuO~5~ type and CeO~2~ fluorite type structures
Michel, C; Hervieu, M; Raveau, B; Journal of Solid State Chemistry 92 (1991) 339–351; doi:10.1016/0022-4596(91)90342-F

data_1001482
_publ_section_title
;
BaNdCe~0.9~Fe~1+x~Cu~1-x~O~7-d~: an intergrowth of the BaYFeCuO~5~ type
and CeO~2~ fluorite type structures
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              339
_journal_page_last               351
_journal_paper_doi               10.1016/0022-4596(91)90342-F
_journal_volume                  92
_journal_year                    1991
_chemical_formula_structural     'Ba (Nd Ce0.9) (Fe1.1 Cu0.9) O7'
_chemical_formula_sum            'Ba Ce0.9 Cu0.9 Fe1.1 Nd O7'
_chemical_name_systematic
;
Barium neodymium cerium iron copper oxide (1/1/.9/1.1/.9/7)
;
_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                   3.9025(1)
_cell_length_b                   3.9025(1)
_cell_length_c                   20.8955(5)
_cell_volume                     318.2
_refine_ls_R_factor_all          0.046
_cod_original_formula_sum        'Ba Ce.9 Cu.9 Fe1.1 Nd O7'
_cod_database_code               1001482
TlBa~2-x~La~2+x~Cu~2~O~9+d~: a new 42K superconductor, intergrowth of "1201" and "0201" structures
Martin, C; Maignan, A; Huve, M; Hervieu, M; Michel, C; Raveau, B; Physica C (Amsterdam) (152,1988-) 179 (1991) 1–8; doi:10.1016/0921-4534(91)90003-H

data_1001483
_publ_section_title
;
TlBa~2-x~La~2+x~Cu~2~O~9+d~: a new 42K superconductor, intergrowth of
"1201" and "0201" structures
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/0921-4534(91)90003-H
_journal_volume                  179
_journal_year                    1991
_chemical_formula_structural     'Tl Ba1.6 La2.4 Cu2 O9'
_chemical_formula_sum            'Ba1.6 Cu2 La2.4 O9 Tl'
_chemical_name_systematic
;
Thallium(III) barium lanthanum copper oxide (1/1.6/2.4/2/9)
;
_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                   3.8110(2)
_cell_length_b                   3.8110(2)
_cell_length_c                   31.556(2)
_cell_volume                     458.3
_refine_ls_R_factor_all          0.073
_cod_database_code               1001483
Neutron diffraction structure determination of the "1212"-series TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~
Michel, C; Suard, E; Caignaert, V; Martin, C; Maignan, A; Hervieu, M; Raveau, B; Physica C (Amsterdam) (152,1988-) 178 (1991) 29–36; doi:10.1016/0921-4534(91)90154-Q

data_1001484
_publ_section_title
;
Neutron diffraction structure determination of the "1212"-series
TlBa~2~Ca~1-x~Nd~x~Cu~2~O~7-d~
;
_journal_coden_ASTM              PHYCE6
_journal_name_full               'Physica C (Amsterdam) (152,1988-)'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1016/0921-4534(91)90154-Q
_journal_volume                  178
_journal_year                    1991
_chemical_formula_structural     'Tl0.96 Ba2 (Ca0.8 Nd0.2) Cu2 O6.86'
_chemical_formula_sum            'Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96'
_chemical_name_systematic
;
Thallium(III) barium calcium neodymium copper oxide
(0.96/2/0.8/0.2/2/6.86)
;
_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                   3.85638(5)
_cell_length_b                   3.85638(5)
_cell_length_c                   12.6534(2)
_cell_volume                     188.2
_refine_ls_R_factor_all          0.048
_cod_original_formula_sum        'Ba2 Ca.8 Cu2 Nd.2 O6.86 Tl.96'
_cod_database_code               1001484