LMucko/crystallography-open-database huggingface dataset:
Crystalline LiPON as a Bulk-Type Solid Electrolyte
López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse; ACS Energy Letters  (2021) 445–450; doi:10.1021/acsenergylett.0c02336

data_4518482
_publ_section_title
;
 Crystalline LiPON as a Bulk-Type Solid Electrolyte
;
_journal_name_full               'ACS Energy Letters'
_journal_page_first              445
_journal_page_last               450
_journal_paper_doi               10.1021/acsenergylett.0c02336
_journal_year                    2021
_chemical_formula_sum            'Li3.6 N0.6 O3.4 P'
_chemical_formula_weight         118.7588
_chemical_name_common            LiPON
_chemical_name_systematic
' 'Crystalline lithium phosphorous oxynitride''
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.528(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.0947(3)
_cell_length_b                   6.1500(3)
_cell_length_c                   5.3209(4)
_cell_measurement_temperature    298
_cell_volume                     166.710(18)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.54418
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              'D20 ILL'
_pd_instr_location               ' D20 ILL'
_pd_meas_2theta_range_inc        0.050576
_pd_meas_2theta_range_max        147.42638
_pd_meas_2theta_range_min        -6.12363
_pd_meas_number_of_points        3039
_pd_proc_2theta_range_inc        0.050576
_pd_proc_2theta_range_max        147.4708
_pd_proc_2theta_range_min        -6.0792
_pd_proc_ls_prof_R_factor        3.1012
_pd_proc_ls_prof_wR_expected     1.0660
_pd_proc_ls_prof_wR_factor       3.9712
_pd_proc_wavelength              1.544176
_refine_ls_number_parameters     57
_refine_ls_number_reflns         418
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.7853
_cod_data_source_file            nz0c02336_si_002.cif
_cod_data_source_block           Li3p6PO3p4N0p6_NPD
_cod_original_cell_volume        166.706(17)
_cod_original_formula_sum        'Li3.6 P O3.4 N0.6'
_cod_database_code               4518482
_pd_proc_ls_prof_cr_factor       8.7838
_pd_proc_ls_prof_cwr_factor      9.8333
_pd_proc_ls_prof_cwr_expected    2.6396
_pd_proc_ls_prof_chi2            13.8777
_pd_proc_ls_prof_echi2           13.8777
Crystalline LiPON as a Bulk-Type Solid Electrolyte
López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse; ACS Energy Letters  (2021) 445–450; doi:10.1021/acsenergylett.0c02336

data_4518483
_publ_section_title
;
 Crystalline LiPON as a Bulk-Type Solid Electrolyte
;
_journal_name_full               'ACS Energy Letters'
_journal_page_first              445
_journal_page_last               450
_journal_paper_doi               10.1021/acsenergylett.0c02336
_journal_year                    2021
_chemical_formula_sum            'Li3.6 N0.6 O3.4 P'
_chemical_formula_weight         118.7588
_chemical_name_common            LiPON
_chemical_name_systematic
' 'Crystalline lithium phosphorous oxynitride''
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.598(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.0980(10)
_cell_length_b                   6.1581(13)
_cell_length_c                   5.3237(12)
_cell_measurement_temperature    298
_cell_volume                     167.12(6)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_type           X-ray
_diffrn_source                   'X-ray Tube'
_diffrn_source_target            'Cu Ka'
_pd_instr_location               ' D8 Discover CICe'
_pd_meas_2theta_range_inc        0.019773
_pd_meas_2theta_range_max        119.99720
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        3039
_pd_proc_2theta_range_inc        0.019773
_pd_proc_2theta_range_max        119.9514
_pd_proc_2theta_range_min        9.9542
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        10.8710
_pd_proc_ls_prof_wR_expected     4.2949
_pd_proc_ls_prof_wR_factor       13.9010
_pd_proc_wavelength              1.540530
_refine_ls_number_parameters     57
_refine_ls_number_reflns         337
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            14.0915
_cod_data_source_file            nz0c02336_si_003.cif
_cod_data_source_block           Li3p6PO3p4N0p6_XRD
_cod_original_cell_volume        167.13(6)
_cod_original_formula_sum        'Li3.6 P O3.4 N0.6'
_cod_database_code               4518483
_pd_proc_ls_prof_cr_factor       22.2738
_pd_proc_ls_prof_cwr_factor      23.9737
_pd_proc_ls_prof_cwr_expected    7.4070
_pd_proc_ls_prof_chi2            10.4757
_pd_proc_ls_prof_echi2           10.8357
Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.
Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin; Journal of the American Chemical Society 143 (2021) 675–680; doi:10.1021/jacs.0c12042

data_4135560
_publ_section_title
;
 Strong and Confined Acids Catalyze Asymmetric Intramolecular
 Hydroarylations of Unactivated Olefins with Indoles.
;
_journal_issue                   2
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              675
_journal_page_last               680
_journal_paper_doi               10.1021/jacs.0c12042
_journal_volume                  143
_journal_year                    2021
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C21 H30 B N O2'
_chemical_formula_sum            'C21 H30 B N O2'
_chemical_formula_weight         339.27
_chemical_properties_physical    none
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_audit_block_code                ZHP-ZB-050
_audit_creation_date             2020-11-09
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0048(3)
_cell_length_b                   9.3168(3)
_cell_length_c                   25.9145(9)
_cell_measurement_reflns_used    9205
_cell_volume                     1932.68(12)
_cod_data_source_file            ja0c12042_si_001.cif
_cod_data_source_block           13531sadabs
_cod_database_code               4135560
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_shelxl_version_number     2018/3
Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.
Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin; Journal of the American Chemical Society 143 (2021) 675–680; doi:10.1021/jacs.0c12042

data_4135561
_publ_section_title
;
 Strong and Confined Acids Catalyze Asymmetric Intramolecular
 Hydroarylations of Unactivated Olefins with Indoles.
;
_journal_issue                   2
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              675
_journal_page_last               680
_journal_paper_doi               10.1021/jacs.0c12042
_journal_volume                  143
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         '2 (C H2 Cl2), C108 H57 F14 N3 O8 P2 S2'
_chemical_formula_sum            'C110 H61 Cl4 F14 N3 O8 P2 S2'
_chemical_formula_weight         2086.47
_chemical_properties_physical    none
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_block_code                ZHP-ZB-012-01
_audit_creation_date             2020-07-21
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3036(7)
_cell_length_b                   23.2545(12)
_cell_length_c                   28.5467(15)
_cell_measurement_reflns_used    9743
_cell_volume                     9495.3(8)
_cod_data_source_file            ja0c12042_si_002.cif
_cod_data_source_block           13247sadabs
_cod_database_code               4135561
_shelx_shelxl_version_number     2018/3
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
The Crystal Structure of 2-p-Chlorophenyl-3,3-dimethyl-1-methoxycyclopropene
Sotofte, Inger; Crossland, Ingolf; Acta Chemica Scandinavica 43 (1989) 168–171; doi:10.3891/acta.chem.scand.43-0168

data_1560300
_publ_section_title
;
 The Crystal Structure of
 2-p-Chlorophenyl-3,3-dimethyl-1-methoxycyclopropene
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              168
_journal_page_last               171
_journal_paper_doi               10.3891/acta.chem.scand.43-0168
_journal_volume                  43
_journal_year                    1989
_chemical_formula_sum            'C12 H13 Cl O'
_chemical_formula_weight         208.67
_chemical_name_common
;
2-p-Chlorophenyl-3,3-dimethyl-1-methoxycyclopropene
;
_space_group_IT_number           9
_space_group_name_Hall           'I -2yc'
_space_group_name_H-M_alt        'I 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'I -2yc'
_symmetry_space_group_name_H-M   'I 1 c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 91.60(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.939(5)
_cell_length_b                   19.099(4)
_cell_length_c                   5.828(4)
_cell_volume                     1105.9(10)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.308
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             440
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_number_parameters     177
_refine_ls_number_reflns         1520
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.032
_cod_data_source_file            Acta-Chem-Scand-1989-43-168.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'I c'
_cod_database_code               1560300
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il; Journal of Solid State Chemistry 254 (2017) 1–8; doi:10.1016/j.jssc.2017.07.006

data_1560353
_publ_contact_author_address     ' ?'
_publ_section_title
;
 Crystal structure and optical property of complex perovskite oxynitrides
 ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb
 0.8 O 2.6 N 0.4 (A = Sr, Ba)
;
_publ_section_title_footnote     ' ?'
_journal_coeditor_notes          ' ?'
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/j.jssc.2017.07.006
_journal_techeditor_notes        ' ?'
_journal_volume                  254
_journal_year                    2017
_chemical_formula_sum            'Li0.19 N0.23 Nb0.81 O2.77 Sr'
_chemical_formula_weight         211.60
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_author_name
;
;
_audit_creation_date             2017-04-25T01:56
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2017-04-25T01:56  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.67715(26)
_cell_length_b                   5.67715
_cell_length_c                   8.0495(7)
_cell_volume                     259.44(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2017-04-25T01:56|SLN_phase1|||
_pd_phase_name                   SrLiNbON
_refine_ls_goodness_of_fit_all   1.72
_refine_ls_matrix_type           full
_refine_ls_number_parameters     29
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          5.01
_refine_ls_shift/su_mean         0.19
_cod_data_source_file            mmc2.cif
_cod_data_source_block           SLN_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (624 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (94 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        259.436(18)
_cod_database_code               1560353
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il; Journal of Solid State Chemistry 254 (2017) 1–8; doi:10.1016/j.jssc.2017.07.006

data_1560354
_publ_contact_author_address     ' ?'
_publ_section_title
;
 Crystal structure and optical property of complex perovskite oxynitrides
 ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb
 0.8 O 2.6 N 0.4 (A = Sr, Ba)
;
_publ_section_title_footnote     ' ?'
_journal_coeditor_notes          ' ?'
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/j.jssc.2017.07.006
_journal_techeditor_notes        ' ?'
_journal_volume                  254
_journal_year                    2017
_chemical_formula_sum            'N0.18 Na0.2 Nb0.8 O2.82 Sr'
_chemical_formula_weight         214.48
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_author_name
;
;
_audit_creation_date             2017-04-25T01:57
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2017-04-25T01:57  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.71841(28)
_cell_length_b                   5.71841
_cell_length_c                   8.1222(7)
_cell_volume                     265.60(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2017-04-25T01:57|SNN1_phase1|||
_pd_phase_name                   SrNaNbON
_refine_ls_goodness_of_fit_all   1.67
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.73
_refine_ls_shift/su_mean         0.04
_cod_data_source_file            mmc3.cif
_cod_data_source_block           SNN1_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (611 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the built-in table derived from the CIF Core
dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21 (100 times).

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        265.598(21)
_cod_original_formula_sum        'N0.18 Na0.20 Nb0.80 O2.82 Sr'
_cod_database_code               1560354
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il; Journal of Solid State Chemistry 254 (2017) 1–8; doi:10.1016/j.jssc.2017.07.006

data_1560355
_publ_contact_author_address     ' ?'
_publ_section_title
;
 Crystal structure and optical property of complex perovskite oxynitrides
 ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb
 0.8 O 2.6 N 0.4 (A = Sr, Ba)
;
_publ_section_title_footnote     ' ?'
_journal_coeditor_notes          ' ?'
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/j.jssc.2017.07.006
_journal_techeditor_notes        ' ?'
_journal_volume                  254
_journal_year                    2017
_chemical_formula_sum            'Mg0.22 N0.4 Nb0.78 O2.6 Sr'
_chemical_formula_weight         212.89
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_author_name
;
;
_audit_creation_date             2017-04-25T01:57
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2017-04-25T01:57  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.67651(25)
_cell_length_b                   5.67651
_cell_length_c                   8.0758(6)
_cell_volume                     260.22(2)
_computing_structure_refinement  GSAS
_pd_block_id                     2017-04-25T01:57|SMN2_phase1|||
_pd_phase_name                   'SrMgNbON, Tet'
_refine_ls_goodness_of_fit_all   1.44
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.79
_refine_ls_shift/su_mean         0.03
_cod_data_source_file            mmc4.cif
_cod_data_source_block           SMN2_phase_1
_cod_original_cell_volume        260.226(24)
_cod_original_formula_sum        'Mg0.22 N0.40 Nb0.78 O2.60 Sr'
_cod_database_code               1560355
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il; Journal of Solid State Chemistry 254 (2017) 1–8; doi:10.1016/j.jssc.2017.07.006

data_1560356
_publ_contact_author_address     ' ?'
_publ_section_title
;
 Crystal structure and optical property of complex perovskite oxynitrides
 ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb
 0.8 O 2.6 N 0.4 (A = Sr, Ba)
;
_publ_section_title_footnote     ' ?'
_journal_coeditor_notes          ' ?'
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/j.jssc.2017.07.006
_journal_techeditor_notes        ' ?'
_journal_volume                  254
_journal_year                    2017
_chemical_formula_sum            'Ba Li0.19 N0.2 Nb0.81 O2.8'
_chemical_formula_weight         261.69
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_author_name
;
;
_audit_creation_date             2017-04-25T01:54
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2017-04-25T01:54  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.115489(35)
_cell_length_b                   4.115489
_cell_length_c                   4.115489
_cell_volume                     69.7051(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2017-04-25T01:54|BLN_phase1|||
_pd_phase_name                   BaLiNbON
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            mmc5.cif
_cod_data_source_block           BLN_phase_1
_cod_original_cell_volume        69.7050(20)
_cod_original_formula_sum        'Ba Li0.19 N0.20 Nb0.81 O2.80'
_cod_database_code               1560356