LMucko/crystallography-open-database huggingface dataset:
Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity
Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B; Modern Physics Letters B 2 (1988) 681–687; doi:10.1142/S0217984988000345

data_1001420
_publ_section_title
;
Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity
;
_journal_coden_ASTM              MPLBET
_journal_name_full               'Modern Physics Letters B'
_journal_page_first              681
_journal_page_last               687
_journal_paper_doi               10.1142/S0217984988000345
_journal_volume                  2
_journal_year                    1988
_chemical_formula_structural     'Tl1.93 Ba2 Ca1.07 Cu2 O8'
_chemical_formula_sum            'Ba2 Ca1.07 Cu2 O8 Tl1.93'
_chemical_name_systematic
;
Thallium barium calcium copper oxide (1.9/2/1.1/2/8)
;
_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                   3.86
_cell_length_b                   3.86
_cell_length_c                   29.388
_cell_volume                     437.9
_cod_database_code               1001420
On the structure of non-superconducting YBa~2~Cu~3~O~6+ε~
Roth, G.; Renker, B.; Heger, G.; Hervieu, M.; Domengès, B.; Raveau, B.; Zeitschrift für Physik B: Condensed Matter 69 (1987) 53–59; doi:10.1007/bf01560609

data_1001421
_publ_section_title
;
 On the structure of non-superconducting YBa~2~Cu~3~O~6+\e~
;
_journal_coden_ASTM              ZPCMDN
_journal_issue                   1
_journal_name_full
;
 Zeitschrift f\"ur Physik B: Condensed Matter
;
_journal_page_first              53
_journal_page_last               59
_journal_paper_doi               10.1007/bf01560609
_journal_volume                  69
_journal_year                    1987
_chemical_formula_structural     'Y Ba2 Cu3 O6'
_chemical_formula_sum            'Ba2 Cu3 O6 Y'
_chemical_name_systematic        'Yttrium dibarium tricopper hexaoxide'
_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                   3.865(1)
_cell_length_b                   3.865(1)
_cell_length_c                   11.852(3)
_cell_volume                     177.0
_refine_ls_R_factor_all          0.022
_cod_database_code               1001421
Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B; Zeitschrift fuer Physik, B (1984-) 71 (1988) 43–52; doi:

data_1001422
_publ_section_title
;
Crystallographic study of tetragonal, superconducting
YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              43
_journal_page_last               52
_journal_volume                  71
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 (Cu0.93 Fe0.05)3 O6.92'
_chemical_formula_sum            'Ba2 Cu2.79 Fe0.15 O6.92 Y'
_chemical_name_systematic
;
Yttrium barium copper iron oxide (1/2/2.8/0.2/6.9)
;
_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                   3.863(1)
_cell_length_b                   3.863(1)
_cell_length_c                   11.626(3)
_cell_volume                     173.5
_refine_ls_R_factor_all          0.036
_cod_original_formula_sum        'Ba2 Cu2.79 Fe.15 O6.92 Y'
_cod_database_code               1001422
Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B; Zeitschrift fuer Physik, B (1984-) 71 (1988) 43–52; doi:

data_1001423
_publ_section_title
;
Crystallographic study of tetragonal, superconducting
YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              43
_journal_page_last               52
_journal_volume                  71
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 (Cu0.93 Fe0.05)3 O6.96'
_chemical_formula_sum            'Ba2 Cu2.79 Fe0.15 O6.96 Y'
_chemical_name_systematic
;
Yttrium barium copper iron oxide (1/2/2.8/0.2/6.96)
;
_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                   3.858(1)
_cell_length_b                   3.858(1)
_cell_length_c                   11.585(3)
_cell_volume                     172.4
_refine_ls_R_factor_all          0.033
_cod_original_formula_sum        'Ba2 Cu2.79 Fe.15 O6.96 Y'
_cod_database_code               1001423
Crystallographic study of tetragonal, superconducting YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
Roth, G; Heger, G; Renker, B; Pannetier, J; Caignaert, V; Hervieu, M; Raveau, B; Zeitschrift fuer Physik, B (1984-) 71 (1988) 43–52; doi:

data_1001424
_publ_section_title
;
Crystallographic study of tetragonal, superconducting
YBa~2~(Cu~0.93~Fe~0.05~)~3~O~7~
;
_journal_coden_ASTM              ZPCMDN
_journal_name_full               'Zeitschrift fuer Physik, B (1984-)'
_journal_page_first              43
_journal_page_last               52
_journal_volume                  71
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 (Cu0.93 Fe0.05)3 O6.96'
_chemical_formula_sum            'Ba2 Cu2.79 Fe0.15 O6.96 Y'
_chemical_name_systematic
;
Yttrium barium copper iron oxide (1/2/2.8/0.2/6.96)
;
_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                   3.862(1)
_cell_length_b                   3.862(1)
_cell_length_c                   11.673(3)
_cell_volume                     174.1
_refine_ls_R_factor_all          0.02
_cod_original_formula_sum        'Ba2 Cu2.79 Fe.15 O6.96 Y'
_cod_database_code               1001424
Structure of a Molybdenum(V) Phosphate β-KMo~2~P~3~O~13~
Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 2009–2011; doi:10.1107/s0108270189011339

data_1001425
_publ_section_title
;
 Structure of a Molybdenum(V) Phosphate \b-KMo~2~P~3~O~13~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2009
_journal_page_last               2011
_journal_paper_doi               10.1107/s0108270189011339
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     'K (Mo2 P O6) (P2 O7)'
_chemical_formula_sum            'K Mo2 O13 P3'
_chemical_name_systematic
;
Potassium dimolybdo(V)phosphate diphosphate - \b
;
_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                 106.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.701(3)
_cell_length_b                   18.848(2)
_cell_length_c                   6.389(5)
_cell_volume                     1117.4
_database_code_amcsd             0010199
_exptl_crystal_density_diffrn    3.162
_refine_ls_R_factor_all          0.025
_cod_database_code               1001425
_amcsd_formula_title             KMo2P3O13
Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide K~0.75~MoNbP~3~O~12~
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Acta Crystallographica C (39,1983-) 46 (1990) 1381–1383; doi:

data_1001426
_publ_section_title
;
Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide
K~0.75~MoNbP~3~O~12~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1381
_journal_page_last               1383
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     'K0.75 Mo Nb O (P O4) (P2 O7)'
_chemical_formula_sum            'K0.75 Mo Nb O12 P3'
_chemical_name_systematic
;
Potassium molybdenum niobium oxide phosphate diphosphate *
;
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8518(5)
_cell_length_b                   9.1453(11)
_cell_length_c                   12.5174(11)
_cell_volume                     1013.3
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'K.75 Mo Nb O12 P3'
_cod_database_code               1001426
K~2~Mo~3~AlP~8~O~28~: a tunnel structure isotypic with Na0.5MoP~2~O~7~
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Acta Crystallographica C (39,1983-) 46 (1990) 1368–1370; doi:

data_1001427
_publ_section_title
;
K~2~Mo~3~AlP~8~O~28~: a tunnel structure isotypic with Na0.5MoP~2~O~7~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1368
_journal_page_last               1370
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     'K Mo1.5 Al0.5 (P4 O14)'
_chemical_formula_sum            'Al0.5 K Mo1.5 O14 P4'
_chemical_name_systematic
;
Potassium molybdenum aluminium phosphate (1/1.5/.5/4)
;
_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                90.53(2)
_cell_angle_beta                 92.95(2)
_cell_angle_gamma                105.18(2)
_cell_formula_units_Z            1
_cell_length_a                   4.8171(8)
_cell_length_b                   7.133(2)
_cell_length_c                   7.998(2)
_cell_volume                     264.8
_database_code_amcsd             0010163
_exptl_crystal_density_diffrn    3.414
_refine_ls_R_factor_all          0.061
_cod_original_formula_sum        'Al.5 K Mo1.5 O14 P4'
_cod_database_code               1001427
_amcsd_formula_title             K2Mo3AlP8O28
CaCuP~2~O~7~:a structure closely related to α-Ca~2~P~2~O~7~
Riou, D.; Goreaud, M.; Acta Crystallographica, Section C: Crystal Structure Communications 46 (1990) 1191–1193; doi:10.1107/s0108270189011704

data_1001428
_publ_section_title
;
CaCuP~2~O~7~:a structure closely related to \a-Ca~2~P~2~O~7~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1191
_journal_page_last               1193
_journal_paper_doi               10.1107/s0108270189011704
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     'Ca Cu (P2 O7)'
_chemical_formula_sum            'Ca Cu O7 P2'
_chemical_name_systematic        'Calcium copper diphosphate'
_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                 91.356(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2104(4)
_cell_length_b                   8.0574(5)
_cell_length_c                   12.344(1)
_cell_volume                     518.1
_database_code_amcsd             0010150
_exptl_crystal_density_diffrn    3.559
_refine_ls_R_factor_all          0.029
_cod_database_code               1001428
_amcsd_formula_title             CaCuP2O7
A novel family of mixed valence molybdenum phosphates with a Nasicon structure, AMo~2~P~3~O~12~ (A= Ca, Sr, Ba)
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; European Journal of Solid State Inorganic Chemistry 26 (1989) 45–51; doi:

data_1001429
_publ_section_title
;
A novel family of mixed valence molybdenum phosphates with a Nasicon
structure, AMo~2~P~3~O~12~ (A= Ca, Sr, Ba)
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              45
_journal_page_last               51
_journal_volume                  26
_journal_year                    1989
_chemical_formula_structural     'Ba Mo2 (P O4)3'
_chemical_formula_sum            'Ba Mo2 O12 P3'
_chemical_name_systematic        'Barium molybdenum phosphate (1/2/3)'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.399(2)
_cell_length_b                   8.399(2)
_cell_length_c                   23.895(7)
_cell_volume                     1459.8
_refine_ls_R_factor_all          0.06
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_database_code               1001429
Structure of KVP~2~O~7~
Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B; Acta Crystallographica C (39,1983-) 47 (1991) 424–425; doi:

data_1001430
_publ_section_title              'Structure of KVP~2~O~7~'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              424
_journal_page_last               425
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'K V (P2 O7)'
_chemical_formula_sum            'K O7 P2 V'
_chemical_name_systematic        'Potassium vanadium(III) diphosphate'
_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                 106.580(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3686(3)
_cell_length_b                   10.0527(5)
_cell_length_c                   8.1874(4)
_cell_volume                     581.3
_refine_ls_R_factor_all          0.027
_cod_database_code               1001430
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001431
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'Y Ba2 Cu3 O6.04'
_chemical_formula_sum            'Ba2 Cu3 O6.04 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.04)'
_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                   3.8519(1)
_cell_length_b                   3.8519(1)
_cell_length_c                   11.8037(4)
_cell_volume                     175.1
_refine_ls_R_factor_all          0.039
_cod_database_code               1001431
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001432
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'Y Ba2 Cu3 O7.34'
_chemical_formula_sum            'Ba2 Cu3 O7.34 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/7.3)'
_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                   3.8657(3)
_cell_length_b                   3.8657(3)
_cell_length_c                   11.6015(17)
_cell_volume                     173.4
_refine_ls_R_factor_all          0.076
_cod_database_code               1001432
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001433
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'La1.5 Ba1.5 Cu3 O7.36'
_chemical_formula_sum            'Ba1.5 Cu3 La1.5 O7.36'
_chemical_name_systematic
;
Lanthanum barium copper oxide (1.5/1.5/3/7.4)
;
_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                   3.9024(2)
_cell_length_b                   3.9024(2)
_cell_length_c                   11.6908(9)
_cell_volume                     178.0
_refine_ls_R_factor_all          0.025
_cod_database_code               1001433
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001434
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'Nd Ba2 Cu3 O6.85'
_chemical_formula_sum            'Ba2 Cu3 Nd O6.85'
_chemical_name_systematic        'Neodymium barium copper oxide (1/2/3/6.9)'
_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                   3.8687(2)
_cell_length_b                   9.9150(2)
_cell_length_c                   11.7477(8)
_cell_volume                     450.6
_refine_ls_R_factor_all          0.037
_cod_database_code               1001434
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001435
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'Y Ba2 Cu3 O6.92'
_chemical_formula_sum            'Ba2 Cu3 O6.92 Y'
_chemical_name_systematic        'Yttrium barium copper oxide (1/2/3/6.9)'
_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                   3.8179(1)
_cell_length_b                   3.8801(2)
_cell_length_c                   11.6655(6)
_cell_volume                     172.8
_refine_ls_R_factor_all          0.022
_cod_database_code               1001435
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E; American Chemical Society: Symposium Series 351 (1987) 152–163; doi:

data_1001436
_publ_section_title
;
Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases
;
_journal_coden_ASTM              ACSMC8
_journal_name_full               'American Chemical Society: Symposium Series'
_journal_page_first              152
_journal_page_last               163
_journal_volume                  351
_journal_year                    1987
_chemical_formula_structural     'Er Ba2 Cu3 O6.99'
_chemical_formula_sum            'Ba2 Cu3 Er O6.99'
_chemical_name_systematic        'Erbium barium copper oxide (1/2/3/6.99)'
_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                   3.8123(2)
_cell_length_b                   3.8756(2)
_cell_length_c                   11.6576(7)
_cell_volume                     172.2
_refine_ls_R_factor_all          0.035
_cod_database_code               1001436