LMucko/crystallography-open-database huggingface dataset:
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113926
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.99949(10)
_cell_length_b                   3.91587(5)
_cell_length_c                   7.63343(10)
_cell_volume                     239.117(5)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_09.cif
_cod_data_source_block           ND_2K_NDMAG_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113926
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113927
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Fe Nd'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   7.9980(6)
_cell_length_b                   7.8330(11)
_cell_length_c                   15.2643(11)
_cell_volume                     956.28(17)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_10.cif
_cod_data_source_block           ND_2K_NDMAG_phase_2
_cod_original_formula_sum        'Nd Fe'
_cod_database_code               4113927
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113928
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   2.86048(17)
_cell_length_b                   2.86048
_cell_length_c                   2.86048
_cell_volume                     23.4054(14)
_pd_block_id                     |PHASE_3||
_pd_phase_name                   Iron
_cod_data_source_file            ja0348132Bsi20030304_041321_11.cif
_cod_data_source_block           ND_2K_NDMAG_phase_3
_cod_database_code               4113928
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113929
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.00318(13)
_cell_length_b                   3.92013(7)
_cell_length_c                   7.64047(13)
_cell_volume                     239.708(7)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_12.cif
_cod_data_source_block           ND_175K_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113929
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113930
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   8.0039(14)
_cell_length_b                   7.8410(29)
_cell_length_c                   15.2824(26)
_cell_volume                     959.1(4)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_13.cif
_cod_data_source_block           ND_175K_phase_2
_cod_depositor_comments
;

2024-06-04
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            8
_cod_database_code               4113930
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113931
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   2.86284(23)
_cell_length_b                   2.86284
_cell_length_c                   2.86284
_cell_volume                     23.4634(19)
_pd_block_id                     |PHASE_3||
_pd_phase_name                   Iron
_cod_data_source_file            ja0348132Bsi20030304_041321_14.cif
_cod_data_source_block           ND_175K_phase_3
_cod_database_code               4113931
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113932
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.96584(6)
_cell_length_b                   3.95339(5)
_cell_length_c                   7.64046(11)
_cell_volume                     119.791(3)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_15.cif
_cod_data_source_block           ND_240K_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113932
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113933
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   7.9339(13)
_cell_length_b                   7.9035(33)
_cell_length_c                   15.2801(20)
_cell_volume                     958.1(4)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_16.cif
_cod_data_source_block           ND_240K_phase_2
_cod_depositor_comments
;

2024-06-04
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            8
_cod_database_code               4113933
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113934
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.969451(32)
_cell_length_b                   3.958035(32)
_cell_length_c                   7.64849(7)
_cell_volume                     120.1672(18)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_18.cif
_cod_data_source_block           ND_300K_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113934
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113935
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   7.9398(17)
_cell_length_b                   7.9197(34)
_cell_length_c                   15.2933(24)
_cell_volume                     961.7(5)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_19.cif
_cod_data_source_block           ND_300K_phase_2
_cod_depositor_comments
;

2024-06-04
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            8
_cod_database_code               4113935
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113936
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   2.86661(22)
_cell_length_b                   2.86661
_cell_length_c                   2.86661
_cell_volume                     23.5562(18)
_pd_block_id                     |PHASE_3||
_pd_phase_name                   Iron
_cod_data_source_file            ja0348132Bsi20030304_041321_20.cif
_cod_data_source_block           ND_300K_phase_3
_cod_database_code               4113936
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113937
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.97079(4)
_cell_length_b                   3.96456(4)
_cell_length_c                   7.65830(6)
_cell_volume                     120.560(2)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_21.cif
_cod_data_source_block           ND_375K_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113937
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113938
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   7.9423(25)
_cell_length_b                   7.937(5)
_cell_length_c                   15.3127(32)
_cell_volume                     965.3(7)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_22.cif
_cod_data_source_block           ND_375K_phase_2
_cod_depositor_comments
;

2024-06-04
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            8
_cod_database_code               4113938
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113939
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ba Fe2 Nd O5'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.97431(4)
_cell_length_b                   3.96949(4)
_cell_length_c                   7.66813(5)
_cell_volume                     120.9723(19)
_pd_block_id                     |PHASE_1||
_pd_phase_name                   NdBaFe2O5
_cod_data_source_file            ja0348132Bsi20030304_041321_24.cif
_cod_data_source_block           ND_450K_phase_1
_cod_original_formula_sum        'Nd Ba Fe2 O5'
_cod_database_code               4113939
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Patrick M. Woodward; Emmanuelle Suard; Pavel Karen; Journal of the American Chemical Society 125 (2003) 8889–8899; doi:10.1021/ja034813+

data_4113940
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_paper_doi               10.1021/ja034813+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   7.948(4)
_cell_length_b                   7.940(9)
_cell_length_c                   15.336(7)
_cell_volume                     967.8(13)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_cod_data_source_file            ja0348132Bsi20030304_041321_25.cif
_cod_data_source_block           ND_450K_phase_2
_cod_depositor_comments
;

2024-06-04
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            8
_cod_database_code               4113940