LMucko/crystallography-open-database huggingface dataset:
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104377
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.05 Na0.95 Nb O3'
_chemical_formula_weight         164.71
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.51972(5)
_cell_length_b                   5.51972(5)
_cell_length_c                   13.78350(16)
_cell_volume                     363.684(6)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN05at100K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.050
_pd_proc_ls_prof_wR_expected     0.018
_pd_proc_ls_prof_wR_factor       0.067
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.87
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN05at100K
_cod_original_cell_volume        363.683(7)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.05 Na0.95 Nb1 O3'
_cod_database_code               2104377
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104378
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.05 Na0.95 Nb O3'
_chemical_formula_weight         164.71
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.52229(5)
_cell_length_b                   5.52229(5)
_cell_length_c                   13.78243(16)
_cell_volume                     363.995(6)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN05at150K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.053
_pd_proc_ls_prof_wR_expected     0.019
_pd_proc_ls_prof_wR_factor       0.070
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.90
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN05at150K
_cod_original_cell_volume        363.994(8)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.05 Na0.95 Nb1 O3'
_cod_database_code               2104378
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104379
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.05 Na0.95 Nb O3'
_chemical_formula_weight         164.71
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.52539(5)
_cell_length_b                   5.52539(5)
_cell_length_c                   13.78058(17)
_cell_volume                     364.354(6)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      200
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN05at200K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.053
_pd_proc_ls_prof_wR_expected     0.019
_pd_proc_ls_prof_wR_factor       0.069
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.9
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN05at200K
_cod_original_cell_volume        364.354(8)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.05 Na0.95 Nb1 O3'
_cod_database_code               2104379
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104380
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.05 Na0.95 Nb O3'
_chemical_formula_weight         164.71
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.52922(5)
_cell_length_b                   5.52922(5)
_cell_length_c                   13.77931(17)
_cell_volume                     364.826(6)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      250
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN05at250K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.050
_pd_proc_ls_prof_wR_factor       0.067
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.91
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN05at250K
_cod_original_cell_volume        364.826(8)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.05 Na0.95 Nb1 O3'
_cod_database_code               2104380
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104381
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.3 Na0.7 Nb O3'
_chemical_formula_weight         168.73
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.59214(6)
_cell_length_b                   5.59214(6)
_cell_length_c                   13.8430(2)
_cell_volume                     374.901(8)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN30at100K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.055
_pd_proc_ls_prof_wR_expected     0.027
_pd_proc_ls_prof_wR_factor       0.075
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.65
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN30at100K
_cod_original_cell_volume        374.902(10)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.30 Na0.70 Nb1 O3'
_cod_database_code               2104381
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104382
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.3 Na0.7 Nb O3'
_chemical_formula_weight         168.73
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.59326(6)
_cell_length_b                   5.59326(6)
_cell_length_c                   13.8432(2)
_cell_volume                     375.057(8)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      120
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN30at120K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.055
_pd_proc_ls_prof_wR_expected     0.027
_pd_proc_ls_prof_wR_factor       0.075
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.65
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN30at120K
_cod_original_cell_volume        375.056(10)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.30 Na0.70 Nb1 O3'
_cod_database_code               2104382
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104383
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.3 Na0.7 Nb O3'
_chemical_formula_weight         168.73
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.59447(6)
_cell_length_b                   5.59447(6)
_cell_length_c                   13.8429(3)
_cell_volume                     375.211(10)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      140
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN30at140K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.056
_pd_proc_ls_prof_wR_factor       0.076
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN30at140K
_cod_original_cell_volume        375.212(11)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.30 Na0.70 Nb1 O3'
_cod_database_code               2104383
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104384
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.3 Na0.7 Nb O3'
_chemical_formula_weight         168.73
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.59575(6)
_cell_length_b                   5.59575(6)
_cell_length_c                   13.8429(3)
_cell_volume                     375.383(10)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      160
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN30at160K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.059
_pd_proc_ls_prof_wR_expected     0.027
_pd_proc_ls_prof_wR_factor       0.079
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   1.70
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN30at160K
_cod_original_cell_volume        375.384(11)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.30 Na0.70 Nb1 O3'
_cod_database_code               2104384
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.; Acta Crystallographica Section B 65 (2009) 291–299; doi:10.1107/S0108768109011057

data_2104385
_publ_section_title
;
 Structures of K~0.05~Na~0.95~NbO~3~ (50--300K) and
 K~0.30~Na~0.70~NbO~3~ (100--200K)
;
_journal_coeditor_code           WF5039
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              291
_journal_page_last               299
_journal_paper_doi               10.1107/S0108768109011057
_journal_volume                  65
_journal_year                    2009
_chemical_formula_structural     'K Na (Nb O3)'
_chemical_formula_sum            'K0.3 Na0.7 Nb O3'
_chemical_formula_weight         168.73
_chemical_name_systematic        'Sodium Potassium Niobate'
_space_group_IT_number           161
_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                   5.59717(10)
_cell_length_b                   5.59717(10)
_cell_length_c                   13.8423(4)
_cell_volume                     375.557(14)
_computing_structure_refinement  'TOPAS Academic'
_diffrn_ambient_temperature      180
_diffrn_measurement_device_type  D2B
_diffrn_radiation_monochromator  'Ge [115]'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1.60
_pd_block_diffractogram_id       KNN30at180K
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        160
_pd_meas_2theta_range_min        0.10
_pd_meas_number_of_points        2601
_pd_meas_scan_method             step
_pd_proc_info_excluded_regions   '145-160\% 2\q'
_pd_proc_ls_prof_R_factor        0.085
_pd_proc_ls_prof_wR_expected     0.027
_pd_proc_ls_prof_wR_factor       0.114
_pd_spec_mounting                'Vanadium can packed with powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   cylinder
_pd_spec_size_axial              20
_pd_spec_size_equat              50
_pd_spec_size_thick              20
_refine_ls_goodness_of_fit_all   2.05
_refine_ls_number_parameters     24
_cod_data_source_file            wf5039.cif
_cod_data_source_block           KNN30at180K
_cod_original_cell_volume        375.558(17)
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'K0.30 Na0.70 Nb1 O3'
_cod_database_code               2104385