LMucko/crystallography-open-database huggingface dataset:
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561947
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.8 Mn3.2 Nd4 O11.6'
_chemical_formula_weight         983.05
_chemical_name_common            NdMn0.8Fe0.2O2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.7753(10)
_cell_length_b                   7.6025(10)
_cell_length_c                   5.4222(10)
_cell_measurement_temperature    323
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     238.07(7)
_diffrn_ambient_temperature      323
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            110
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.857
_exptl_crystal_description       powder
_geom_angle                      88.376(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9191(3)
_refine_ls_goodness_of_fit_all   1.342
_refine_ls_R_I_factor            0.0363
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn08Fe02O2_9_323K_start.cif
_cod_data_source_block           323K_Ar
_cod_original_cell_volume        238.1(1)
_cod_original_formula_sum        'Fe0.80 Mn3.20 Nd4 O11.60'
_cod_database_code               1561947
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561948
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.8 Mn3.2 Nd4 O11.6'
_chemical_formula_weight         983.05
_chemical_name_common            NdMn0.8Fe0.2O2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.621(1)
_cell_length_b                   7.842(1)
_cell_length_c                   5.519(1)
_cell_measurement_temperature    1273
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     243.28(7)
_diffrn_ambient_temperature      1273
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            112
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.709
_exptl_crystal_description       powder
_geom_angle                      71.555(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              2.0458(3)
_refine_ls_goodness_of_fit_all   1.536
_refine_ls_R_I_factor            0.0407
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn08Fe02O2_9_1273K_Ar.cif
_cod_data_source_block           1273K_Ar
_cod_original_cell_volume        243.3(1)
_cod_original_formula_sum        'Fe0.80 Mn3.20 Nd4 O11.60'
_cod_database_code               1561948
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561949
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.8 Mn3.2 Nd4 O12'
_chemical_formula_weight         989.43
_chemical_name_common            NdMn0.8Fe0.2O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6046(10)
_cell_length_b                   7.8383(10)
_cell_length_c                   5.5186(10)
_cell_measurement_temperature    1273
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     242.44(7)
_diffrn_ambient_temperature      1273
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            112
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.777
_exptl_crystal_description       powder
_geom_angle                      76.446(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              2.0328(3)
_refine_ls_goodness_of_fit_all   1.151
_refine_ls_R_I_factor            0.0322
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn08Fe02O3_1273K_air.cif
_cod_data_source_block           1273_air
_cod_original_cell_volume        242.4(1)
_cod_original_formula_sum        'Fe0.80 Mn3.20 Nd4 O12'
_cod_database_code               1561949
_exptl_atmosphere                air
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561950
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.4 Mn3.6 Nd4 O11.6'
_chemical_formula_weight         982.69
_chemical_name_common            NdMn0.9Fe0.1O2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6346(10)
_cell_length_b                   7.8420(10)
_cell_length_c                   5.5179(10)
_cell_measurement_temperature    1273
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     243.82(7)
_diffrn_ambient_temperature      1273
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            112
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.693
_exptl_crystal_description       powder
_geom_angle                      83.500(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              2.0748(3)
_refine_ls_goodness_of_fit_all   1.562
_refine_ls_R_I_factor            0.04138
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn09Fe01O2_9_1273K_Ar.cif
_cod_data_source_block           1273K_Ar
_cod_original_formula_sum        'Fe0.40 Mn3.60 Nd4 O11.60'
_cod_database_code               1561950
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561951
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.4 Mn3.6 Nd4 O11.6'
_chemical_formula_weight         982.69
_chemical_name_common            NdMn0.9Fe0.1O2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.8096(10)
_cell_length_b                   7.5778(10)
_cell_length_c                   5.4196(10)
_cell_measurement_temperature    323
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     238.59(7)
_diffrn_ambient_temperature      323
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            109
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.839
_exptl_crystal_description       powder
_geom_angle                      83.390(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9926(3)
_refine_ls_goodness_of_fit_all   2.259
_refine_ls_R_I_factor            0.0493
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn09Fe01O2_9_323K_start.cif
_cod_data_source_block           323K_Ar
_cod_original_cell_volume        238.6(1)
_cod_original_formula_sum        'Fe0.40 Mn3.60 Nd4 O11.60'
_cod_database_code               1561951
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561952
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.4 Mn3.6 Nd4 O12'
_chemical_formula_weight         989.07
_chemical_name_common            NdMn0.9Fe0.1O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.5927(10)
_cell_length_b                   7.8178(10)
_cell_length_c                   5.5063(10)
_cell_measurement_temperature    1273
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     240.75(7)
_diffrn_ambient_temperature      1273
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            111
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.834
_exptl_crystal_description       powder
_geom_angle                      74.729(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              2.0257(3)
_refine_ls_goodness_of_fit_all   1.156
_refine_ls_R_I_factor            0.0336
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn09Fe01O3_1273K_air.cif
_cod_data_source_block           1273K_air
_cod_original_formula_sum        'Fe0.40 Mn3.60 Nd4 O12'
_cod_database_code               1561952
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561953
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Fe0.4 Mn3.6 Nd4 O12'
_chemical_formula_weight         989.07
_chemical_name_common            NdMn0.9Fe0.1O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6657(10)
_cell_length_b                   7.6228(10)
_cell_length_c                   5.4186(10)
_cell_measurement_temperature    323
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     234.02(7)
_diffrn_ambient_temperature      323
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            106
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.031
_exptl_crystal_description       powder
_geom_angle                      75.445(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9562(3)
_refine_ls_goodness_of_fit_all   1.588
_refine_ls_R_I_factor            0.0415
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMn09Fe01O3_323K_start.cif
_cod_data_source_block           323K_air
_cod_original_cell_volume        234.0(1)
_cod_original_formula_sum        'Fe0.40 Mn3.60 Nd4 O12'
_cod_database_code               1561953
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561954
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Mn4 Nd4 O11.6'
_chemical_formula_weight         982.31
_chemical_name_common            NdMnO2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6392(10)
_cell_length_b                   7.8384(10)
_cell_length_c                   5.5155(10)
_cell_measurement_temperature    1273
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     243.80(7)
_diffrn_ambient_temperature      1273
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            112
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.691
_exptl_crystal_description       powder
_geom_angle                      73.576(3)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              2.0402(3)
_refine_ls_goodness_of_fit_all   1.567
_refine_ls_R_I_factor            0.0398
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMnO2_9_1273K_Ar.cif
_cod_data_source_block           1273K_Ar
_cod_original_cell_volume        243.8(1)
_cod_original_formula_sum        'Mn4 Nd4 O11.60'
_cod_database_code               1561954
_exptl_atmosphere                Ar
Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
Matus Mihalik; Journal of Alloys and Compounds 857 (2021) 157612–; doi:10.1016/j.jallcom.2020.157612

data_1561955
_publ_author_name                'Matus Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              157612
_journal_paper_doi               10.1016/j.jallcom.2020.157612
_journal_volume                  857
_journal_year                    2021
_chemical_formula_sum            'Mn4 Nd4 O11.6'
_chemical_formula_weight         982.31
_chemical_name_common            NdMnO2.9
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.8463(10)
_cell_length_b                   7.5498(10)
_cell_length_c                   5.4169(10)
_cell_measurement_temperature    323
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     239.09(7)
_diffrn_ambient_temperature      323
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            109
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.822
_exptl_crystal_description       powder
_geom_angle                      75.644(4)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9774(3)
_refine_ls_goodness_of_fit_all   2.096
_refine_ls_R_I_factor            0.0450
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            NdMnO2_9_323K_start.cif
_cod_data_source_block           323K_Ar
_cod_original_cell_volume        239.1(1)
_cod_original_formula_sum        'Mn4 Nd4 O11.60'
_cod_database_code               1561955
_exptl_atmosphere                Ar