LMucko/crystallography-open-database huggingface dataset:
Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).
Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun; Journal of the American Chemical Society 136 (2014) 2363–2373; doi:10.1021/ja409865c

data_4120551
_publ_section_title
;
 Discovery of a phosphor for light emitting diode applications and its
 structural determination, ba(si,al)5(o,n)8:eu(2+).
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2363
_journal_page_last               2373
_journal_paper_doi               10.1021/ja409865c
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'Al Ba N5 O3 Si4'
_chemical_formula_weight         394.69
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.48461(3)
_cell_length_b                   13.47194(6)
_cell_length_c                   5.773234(18)
_cell_measurement_temperature    298
_cell_volume                     737.681(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  '8C2 HRPD beamline Pohang Light Source'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     1.54720
_diffrn_source                   '8C2 HRPD beamline Pohang Light Source'
_exptl_crystal_density_diffrn    3.55
_pd_char_colour                  White
_pd_meas_2theta_range_inc        0.005000
_pd_meas_2theta_range_max        130.50000
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        24101
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.005000
_pd_proc_2theta_range_max        130.5004
_pd_proc_2theta_range_min        10.0004
_pd_proc_ls_prof_R_factor        5.5788
_pd_proc_ls_prof_wR_expected     5.2033
_pd_proc_ls_prof_wR_factor       7.4891
_pd_proc_wavelength              1.547200
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.0716
_refine_ls_number_parameters     86
_refine_ls_number_reflns         377
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.1036
_cod_data_source_file            ja409865c_si_002.cif
_cod_data_source_block           orthorhombic-major-phase
_cod_original_cell_volume        737.682(5)
_cod_database_code               4120551
_pd_proc_ls_prof_cr_factor       11.0492
_pd_proc_ls_prof_cwr_factor      11.6452
_pd_proc_ls_prof_cwr_expected    8.0910
_pd_proc_ls_prof_chi2            2.0716
_pd_proc_ls_prof_echi2           2.0828
Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).
Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun; Journal of the American Chemical Society 136 (2014) 2363–2373; doi:10.1021/ja409865c

data_4120552
_publ_section_title
;
 Discovery of a phosphor for light emitting diode applications and its
 structural determination, ba(si,al)5(o,n)8:eu(2+).
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2363
_journal_page_last               2373
_journal_paper_doi               10.1021/ja409865c
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'Al2 Ba N4 O4 Si3'
_chemical_formula_weight         395.58
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.47791(4)
_cell_length_b                   13.45426(5)
_cell_length_c                   5.76940(2)
_cell_measurement_temperature    298
_cell_volume                     735.704(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  '8C2 HRPD beamline Pohang Light Source'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     1.54720
_diffrn_source                   '8C2 HRPD beamline Pohang Light Source'
_exptl_crystal_density_diffrn    3.571
_pd_char_colour                  White
_pd_meas_2theta_range_inc        0.005000
_pd_meas_2theta_range_max        130.50000
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        0
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.005000
_pd_proc_2theta_range_max        130.5004
_pd_proc_2theta_range_min        10.0004
_pd_proc_ls_prof_R_factor        5.5788
_pd_proc_ls_prof_wR_expected     5.2033
_pd_proc_ls_prof_wR_factor       7.4891
_pd_proc_wavelength              1.547200
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.0716
_refine_ls_number_parameters     86
_refine_ls_number_reflns         377
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.0537
_cod_data_source_file            ja409865c_si_002.cif
_cod_data_source_block           orthorhombic-minor-phase
_cod_original_formula_sum        'Al2 Ba N4 O4 Si3 '
_cod_database_code               4120552
_pd_proc_ls_prof_cr_factor       11.0492
_pd_proc_ls_prof_cwr_factor      11.6452
_pd_proc_ls_prof_cwr_expected    8.0910
_pd_proc_ls_prof_chi2            2.0716
_pd_proc_ls_prof_echi2           2.0828
Structure and Dynamics of Octamethyl-POSS Nanoparticles
Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.; The Journal of Physical Chemistry C 118 (2014) 5579–; doi:10.1021/jp412228r

data_1513806
_publ_section_title
;
 Structure and Dynamics of Octamethyl-POSS Nanoparticles
;
_journal_issue                   10
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5579
_journal_paper_doi               10.1021/jp412228r
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C8 H24 O12 Si8'
_chemical_formula_weight         537
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.4443(6)
_cell_length_b                   12.4443(6)
_cell_length_c                   13.0384(6)
_cell_measurement_temperature    293
_cell_volume                     1748.62(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    1.5292
_exptl_crystal_F_000             840
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        96.639
_pd_meas_2theta_range_min        14.003
_pd_meas_number_of_points        3223
_pd_proc_2theta_range_max        96.639
_pd_proc_2theta_range_min        14.003
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0120
_pd_proc_ls_prof_wR_expected     0.0040
_pd_proc_ls_prof_wR_factor       0.0086
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     70
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          4.3138
_refine_ls_shift/su_mean         0.5713
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp412228r_si_005.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1748.61(14)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1513806
Structure and Dynamics of Octamethyl-POSS Nanoparticles
Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.; The Journal of Physical Chemistry C 118 (2014) 5579–; doi:10.1021/jp412228r

data_1513807
_publ_section_title
;
 Structure and Dynamics of Octamethyl-POSS Nanoparticles
;
_journal_issue                   10
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5579
_journal_paper_doi               10.1021/jp412228r
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C8 H24 O12 Si8'
_chemical_formula_weight         537
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.3948(6)
_cell_length_b                   12.3948(6)
_cell_length_c                   12.8871(6)
_cell_measurement_temperature    293
_cell_volume                     1714.61(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    1.5596
_exptl_crystal_F_000             840
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        96.639
_pd_meas_2theta_range_min        13.606
_pd_meas_number_of_points        3271
_pd_proc_2theta_range_max        96.639
_pd_proc_2theta_range_min        13.606
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0130
_pd_proc_ls_prof_wR_expected     0.0037
_pd_proc_ls_prof_wR_factor       0.0100
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     70
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          6.8322
_refine_ls_shift/su_mean         1.4595
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp412228r_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1714.562
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1513807
Structure and Dynamics of Octamethyl-POSS Nanoparticles
Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.; The Journal of Physical Chemistry C 118 (2014) 5579–; doi:10.1021/jp412228r

data_1513808
_publ_section_title
;
 Structure and Dynamics of Octamethyl-POSS Nanoparticles
;
_journal_issue                   10
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5579
_journal_paper_doi               10.1021/jp412228r
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C8 H24 O12 Si8'
_chemical_formula_weight         537
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.41090(7)
_cell_length_b                   12.41090(7)
_cell_length_c                   12.99059(11)
_cell_measurement_temperature    293
_cell_volume                     1732.87(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    1.5431
_exptl_crystal_F_000             840
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        96.639
_pd_meas_2theta_range_min        13.404
_pd_meas_number_of_points        3296
_pd_proc_2theta_range_max        96.639
_pd_proc_2theta_range_min        13.404
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0122
_pd_proc_ls_prof_wR_expected     0.0037
_pd_proc_ls_prof_wR_factor       0.0080
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     65
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          4.5538
_refine_ls_shift/su_mean         0.8350
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp412228r_si_004.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1513808
Structure and Dynamics of Octamethyl-POSS Nanoparticles
Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.; The Journal of Physical Chemistry C 118 (2014) 5579–; doi:10.1021/jp412228r

data_1513809
_publ_section_title
;
 Structure and Dynamics of Octamethyl-POSS Nanoparticles
;
_journal_issue                   10
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5579
_journal_paper_doi               10.1021/jp412228r
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C8 H24 O12 Si8'
_chemical_formula_weight         537
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.3959(5)
_cell_length_b                   12.3959(5)
_cell_length_c                   12.9208(5)
_cell_measurement_temperature    293
_cell_volume                     1719.40(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    1.5552
_exptl_crystal_F_000             840
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        95.487
_pd_meas_2theta_range_min        13.500
_pd_meas_number_of_points        3264
_pd_proc_2theta_range_max        95.487
_pd_proc_2theta_range_min        13.5
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_restraints     0
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp412228r_si_003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1719.39(13)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1513809
Structure and Dynamics of Octamethyl-POSS Nanoparticles
Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.; The Journal of Physical Chemistry C 118 (2014) 5579–; doi:10.1021/jp412228r

data_1513810
_publ_section_title
;
 Structure and Dynamics of Octamethyl-POSS Nanoparticles
;
_journal_issue                   10
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5579
_journal_paper_doi               10.1021/jp412228r
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C8 H24 O12 Si8'
_chemical_formula_weight         537
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.5077(7)
_cell_length_b                   12.5077(7)
_cell_length_c                   13.0995(7)
_cell_measurement_temperature    293
_cell_volume                     1774.76(17)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    1.5067
_exptl_crystal_F_000             840
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        96.639
_pd_meas_2theta_range_min        18.002
_pd_meas_number_of_points        2804
_pd_proc_2theta_range_max        96.639
_pd_proc_2theta_range_min        18.002
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0123
_pd_proc_ls_prof_wR_expected     0.0040
_pd_proc_ls_prof_wR_factor       0.0096
_refine_diff_density_max         1.01
_refine_diff_density_min         -0.98
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     70
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.6397
_refine_ls_shift/su_mean         0.1642
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            jp412228r_si_006.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1774.75(17)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1513810
Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers
Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda; Organometallics 33 (2014) 1227–; doi:10.1021/om500008v

data_4082701
_publ_section_title
;
 Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods
 for the Synthesis of Pd(II) Photosensitizers
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1227
_journal_paper_doi               10.1021/om500008v
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C80 H64 Cl2 Fe2 N2 P4 Pd2'
_chemical_formula_sum            'C80 H64 Cl2 Fe2 N2 P4 Pd2'
_chemical_formula_weight         1572.61
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.3792(19)
_cell_angle_beta                 88.4213(25)
_cell_angle_gamma                99.7528(22)
_cell_formula_units_Z            1
_cell_length_a                   11.02545(33)
_cell_length_b                   11.60073(62)
_cell_length_c                   13.98527(47)
_cell_measurement_temperature    293
_cell_volume                     1692.75(12)
_computing_cell_refinement       Topas
_computing_data_collection       Bruker
_computing_data_reduction        none
_computing_structure_refinement  Topas
_computing_structure_solution    Topas
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Cu K\a_1'
_diffrn_radiation_wavelength     1.54059
_exptl_crystal_density_diffrn    1.543
_pd_proc_ls_prof_R_factor        0.044
_pd_proc_ls_prof_wR_factor       0.049
_refine_ls_goodness_of_fit_all   2.94
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     284
_refine_ls_R_Fsqd_factor         0.007
_refine_ls_shift/su_max          <0.01
_refine_ls_structure_factor_coef Fsqd
_cod_data_source_file            om500008v_si_003.cif
_cod_data_source_block           1D
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4082701
Zur Kristallstruktur von LiMnO~2~
Dittrich, G.; Hoppe, R.; Zeitschrift für Anorganische und Allgemeine Chemie 368 (1969) 262–270; doi:10.1002/zaac.19693680507

data_1513880
_publ_section_title
;
 Zur Kristallstruktur von LiMnO~2~
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   5-6
_journal_name_full
;
 Zeitschrift f\"ur Anorganische und Allgemeine Chemie
;
_journal_page_first              262
_journal_page_last               270
_journal_paper_doi               10.1002/zaac.19693680507
_journal_volume                  368
_journal_year                    1969
_chemical_formula_structural     'Li Mn O2'
_chemical_formula_sum            'Li Mn O2'
_chemical_name_systematic        'Lithium Manganese(III) Oxide'
_space_group_IT_number           25
_symmetry_Int_Tables_number      25
_symmetry_space_group_name_Hall  'P -2 -2'
_symmetry_space_group_name_H-M   'P m 2 m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   2.804
_cell_length_b                   5.758
_cell_length_c                   4.576
_cell_volume                     73.881
_cod_data_source_file            LiMnO2_Pm2m.cif
_cod_data_source_block           melanie1
_cod_original_cell_volume        73.88
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1513880