LMucko/crystallography-open-database huggingface dataset:
Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction
Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah; Journal of the American Chemical Society 135 (2013) 19186–19192; doi:10.1021/ja4081056

data_4121376
_publ_section_title
;
 Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal
 Electrocatalysts for the Hydrogen Evolution Reaction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              19186
_journal_page_last               19192
_journal_paper_doi               10.1021/ja4081056
_journal_volume                  135
_journal_year                    2013
_chemical_formula_structural     Co0.6Mo1.4N2
_chemical_formula_sum            'Co0.6 Mo1.4 N2'
_chemical_formula_weight         197.7
_chemical_name_structure_type    Li0.67NbS2,hP8,194
_space_group_IT_number           194
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.85176
_cell_length_b                   2.85176
_cell_length_c                   10.98618
_cell_measurement_radiation      'Neutron, TOF'
_cell_volume                     77.375
_computing_structure_refinement  TOPAS
_computing_structure_solution    'starting values from the literature'
_diffrn_ambient_temperature      300
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_measurement_device_type  NOMAD
_diffrn_radiation_type           'Neutron, TOF'
_diffrn_reflns_theta_max         154
_diffrn_reflns_theta_min         31
_refine_ls_R_factor_all          4.975
_refine_ls_wR_factor_all         5.935
_cod_data_source_file            ja4081056_si_002.cif
_cod_data_source_block           130804
_cod_original_cell_volume        77.37547
_cod_original_formula_sum        Co0.6Mo1.4N2
_cod_database_code               4121376
Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction
Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah; Journal of the American Chemical Society 135 (2013) 19186–19192; doi:10.1021/ja4081056

data_4121377
_publ_section_title
;
 Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal
 Electrocatalysts for the Hydrogen Evolution Reaction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              19186
_journal_page_last               19192
_journal_paper_doi               10.1021/ja4081056
_journal_volume                  135
_journal_year                    2013
_chemical_formula_structural     Co0.6Mo1.4N2
_chemical_formula_sum            'Co0.6 Mo1.4 N2'
_chemical_formula_weight         197.7
_chemical_name_structure_type    Li0.67NbS2,hP8,194
_space_group_IT_number           194
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.851480(33)
_cell_length_b                   2.851480(33)
_cell_length_c                   10.98899(30)
_cell_measurement_radiation      x-ray
_cell_volume                     77.380(2)
_computing_structure_refinement  TOPAS
_computing_structure_solution    'starting values from the literature'
_diffrn_ambient_temperature      300
_diffrn_measurement_device       'automatic diffractometer'
_diffrn_measurement_device_type  APS-11BM
_diffrn_radiation_type           x-ray
_refine_ls_R_factor_all          9.414
_refine_ls_wR_factor_all         11.344
_cod_data_source_file            ja4081056_si_003.cif
_cod_data_source_block           130804
_cod_original_cell_volume        77.3800(28)
_cod_original_formula_sum        Co0.6Mo1.4N2
_cod_database_code               4121377
Zur Kenntnis der Oxomanganate(III):, Über LiMnO~2~ und β-NaMnO~2~ [1]
Hoppe, R.; Brachtel, G.; Jansen, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 417 (1975) 1–10; doi:10.1002/zaac.19754170102

data_1513956
_publ_section_title
;
 Zur Kenntnis der Oxomanganate(III):, \"Uber LiMnO~2~ und \b-NaMnO~2~ [1]
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   1
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.1002/zaac.19754170102
_journal_volume                  417
_journal_year                    1975
_chemical_formula_structural     'Li (Mn O2)'
_chemical_formula_sum            'Li Mn O2'
_chemical_name_systematic        'Lithium Manganate(III)'
_space_group_IT_number           59
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2c 2a'
_symmetry_space_group_name_H-M   'P m n m :2'
_audit_creation_date             1980/01/01
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   2.805
_cell_length_b                   5.757
_cell_length_c                   4.572
_cell_volume                     73.830
_refine_ls_R_factor_all          0.0668
_cod_data_source_file            'data_LiMnO2melanie015768.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395661292.7-D290F29E9218B844.cif
_cod_original_cell_volume        73.83
_cod_original_sg_symbol_H-M      'P m n m Z'
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1513956
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_1513957
_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'
_audit_creation_date             1980/01/01
_audit_update_record             2007/04/01
_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_duplicate_entry             1513880
_cod_data_source_file            'data_LiMnO2melanie015105.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395667819.43-D290F29E9218B844.cif
_cod_original_cell_volume        73.88
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1513957
Zur Kenntnis der NaCl Struktur Familie: neue Untersuchungen an Li~2~MnO~3~
Jansen, M.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 397 (1973) 279–289; doi:10.1002/zaac.19733970307

data_1513958
_publ_section_title
;
 Zur Kenntnis der NaCl Struktur Familie: neue Untersuchungen an Li~2~MnO~3~
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   3
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              279
_journal_page_last               289
_journal_paper_doi               10.1002/zaac.19733970307
_journal_volume                  397
_journal_year                    1973
_chemical_formula_structural     'Li2 Mn O3'
_chemical_formula_sum            'Li2 Mn O3'
_chemical_name_systematic        'Dilithium Manganese(IV) Oxide'
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             1980/01/01
_cell_angle_alpha                90.
_cell_angle_beta                 99.5
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   4.928
_cell_length_b                   8.533
_cell_length_c                   9.604
_cell_volume                     398.316
_cod_data_source_file            'data_Li2MnO3melanie021022.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395669153.27-D290F29E9218B844.cif
_cod_original_cell_volume        398.32
_cod_original_formula_sum        'Li2 Mn1 O3'
_cod_database_code               1513958
The Crystal structure of Li2 Mn O2
David, W. I. F.; Goodenough, J. B.; Thackeray, M. M.; Thomas, M. G. S. R.; Revue de Chimie Minerale 20 (1983) 636–642; doi:

data_1513959
_publ_section_title
;
 The Crystal structure of Li2 Mn O2
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              636
_journal_page_last               642
_journal_volume                  20
_journal_year                    1983
_chemical_formula_structural     'Li2 Mn O2'
_chemical_formula_sum            'Li2 Mn O2'
_chemical_name_systematic        'Dilithium Manganese Oxide'
_space_group_IT_number           164
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_audit_creation_date             1983/12/31
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            1
_cell_length_a                   3.195(5)
_cell_length_b                   3.195
_cell_length_c                   5.303(4)
_cell_volume                     46.88(8)
_refine_ls_R_factor_all          0.101
_cod_data_source_file            'data_Li2MnO2melanie037327.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395673131.54-D290F29E9218B844.cif
_cod_original_cell_volume        46.88
_cod_original_formula_sum        'Li2 Mn1 O2'
_cod_database_code               1513959
Defect spinels in the system Li2 O * y(Mn O2) (y>2.5): A neutron- diffraction study and electrochemical characterization of Li2 Mn4 O9
de Kock, A.; Rossouw, M. H.; de Picciotto, L. A.; Thackeray, M. M.; David, W. I. F.; Ibberson, R. M.; Materials Research Bulletin 25 (1990) 657–664; doi:10.1016/0025-5408(90)90032-W

data_1513960
_publ_section_title
;
 Defect spinels in the system Li2 O * y(Mn O2) (y>2.5): A neutron-
 diffraction study and electrochemical characterization of Li2 Mn4 O9
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              657
_journal_page_last               664
_journal_paper_doi               10.1016/0025-5408(90)90032-W
_journal_volume                  25
_journal_year                    1990
_chemical_formula_structural     'Li0.83 Mn1.76 O4'
_chemical_formula_sum            'Li0.83 Mn1.76 O4'
_chemical_name_systematic
;
Lithium Manganese Oxide (0.83/1.76/4)
;
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             1999-11-30
_audit_update_record             2007-08-01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.174(1)
_cell_length_b                   8.174(1)
_cell_length_c                   8.174(1)
_cell_volume                     546.14(12)
_refine_ls_R_factor_all          0.0236
_cod_data_source_file            'data_LiMn2O4melanie040199.cif'
_cod_data_source_block           1395674759.21-D290F29E9218B844.cif
_cod_original_cell_volume        546.140
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1513960
Phases Lix Mn O2 lambda rattachees au type spinelle
Mosbah, A.; Verbaere, A.; Tournoux, M.; Materials Research Bulletin 18 (1983) 1375–1381; doi:10.1016/0025-5408(83)90045-4

data_1513961
_publ_section_title
;
 Phases Lix Mn O2 lambda rattachees au type spinelle
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1375
_journal_page_last               1381
_journal_paper_doi               10.1016/0025-5408(83)90045-4
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'Li.03 Mn2 O4'
_chemical_formula_sum            'Li0.03 Mn2 O4'
_chemical_name_systematic        'Lithium Manganese Oxide (0.06/2/4)'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             1999/11/30
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.029(2)
_cell_length_b                   8.029(2)
_cell_length_c                   8.029(2)
_cell_volume                     517.6(2)
_refine_ls_R_factor_all          0.052
_cod_data_source_file            'data_LiMnO2melanie040484.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395677505.25-D290F29E9218B844.cif
_cod_original_cell_volume        517.59
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1513961
Phases Lix Mn O2 lambda rattachees au type spinelle
Mosbah, A.; Verbaere, A.; Tournoux, M.; Materials Research Bulletin  (1983) 1375–1381; doi:

data_1513962
_publ_section_title
;
 Phases Lix Mn O2 lambda rattachees au type spinelle
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1375
_journal_page_last               1381
_journal_year                    1983
_chemical_formula_structural     'Li Mn2 O4'
_chemical_formula_sum            'Li Mn2 O4'
_chemical_name_systematic        'Lithium Dimanganese Tetraoxide'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             1999-11-30
_audit_update_record             2005-10-01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.245(1)
_cell_length_b                   8.245(1)
_cell_length_c                   8.245(1)
_cell_volume                     560.50(12)
_refine_ls_R_factor_all          0.036
_cod_data_source_file            'data_LiMn2O4melanie040485.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395678109.95-D290F29E9218B844.cif
_cod_original_cell_volume        560.5
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               1513962
Phases Lix Mn O2 lambda rattachees au type spinelle
Mosbah, A.; Verbaere, A.; Tournoux, M.; Materials Research Bulletin 18 (1938) 1375–1381; doi:

data_1513963
_publ_section_title
;
 Phases Lix Mn O2 lambda rattachees au type spinelle
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1375
_journal_page_last               1381
_journal_volume                  18
_journal_year                    1938
_chemical_formula_structural     'Li Mn O2'
_chemical_formula_sum            'Li Mn O2'
_chemical_name_systematic        'Lithium Manganese Oxide (1/1/2)'
_space_group_IT_number           141
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_audit_creation_date             1999/11/30
_audit_update_record             2010/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   5.6504(7)
_cell_length_b                   5.6504(7)
_cell_length_c                   9.242(2)
_cell_volume                     295.07(8)
_refine_ls_R_factor_all          0.033
_cod_data_source_file            'data_LiMnO2melanie040486.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395678760.05-D290F29E9218B844.cif
_cod_original_cell_volume        295.07
_cod_original_sg_symbol_H-M      'I 41/a m d Z'
_cod_original_formula_sum        'Li1 Mn1 O2'
_cod_database_code               1513963
A neutron diffraction study of Ni substituted Li Mn2 O4
Berg, H.; Thomas, J. O.; Wen, L.; Farrington, G. C.; Solid State Ionics 112 (1998) 165–168; doi:10.1016/S0167-2738(98)00167-2

data_1513964
_publ_section_title
;
 A neutron diffraction study of Ni substituted Li Mn2 O4
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              165
_journal_page_last               168
_journal_paper_doi               10.1016/S0167-2738(98)00167-2
_journal_volume                  112
_journal_year                    1998
_chemical_formula_structural     'Li Mn2 O4'
_chemical_formula_sum            'Li Mn2 O4'
_chemical_name_systematic        'Lithium Dimanganese Tetraoxide'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             1999/11/30
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.251(4)
_cell_length_b                   8.251(4)
_cell_length_c                   8.251(4)
_cell_volume                     561.7(5)
_refine_ls_R_factor_all          0.0558
_cod_data_source_file            'data_LiMn2O4melanie050415.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395679227.84-D290F29E9218B844.cif
_cod_original_cell_volume        561.72
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               1513964
Structural and electrical characterization of Li (Mn(1-d) Ti(d))2 O4
Yoo, Kwang Soo; Cho, Nam Woong; Oh, Yong-Joo; Solid State Ionics 113 (1998) 43–49; doi:10.1016/S0167-2738(98)00365-8

data_1513965
_publ_section_title
;
 Structural and electrical characterization of Li (Mn(1-d) Ti(d))2 O4
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              43
_journal_page_last               49
_journal_paper_doi               10.1016/S0167-2738(98)00365-8
_journal_volume                  113
_journal_year                    1998
_chemical_formula_structural     'Li Mn2 O4'
_chemical_formula_sum            'Li Mn2 O4'
_chemical_name_systematic
;
Lithium Manganese(III) Manganese(IV) Oxide
;
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_audit_creation_date             1999/11/30
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.2383
_cell_length_b                   8.2383
_cell_length_c                   8.2383
_cell_volume                     559.130
_refine_ls_R_factor_all          0.0315
_cod_data_source_file            'data_LiMn2O4melanie050427.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395679616.94-D290F29E9218B844.cif
_cod_original_cell_volume        559.13
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               1513965
Verwey-type transition and magnetic properties of the LiMn~2~O~4~ spinels
Shimakawa, Y.; Numata, T.; Tabuchi, J.; Journal of Solid State Chemistry 131 (1997) 138–143; doi:10.1006/jssc.1997.7366

data_1513966
_publ_section_title
;
 Verwey-type transition and magnetic properties of the LiMn~2~O~4~ spinels
;
_journal_coden_ASTM              JSSCBI
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              138
_journal_page_last               143
_journal_paper_doi               10.1006/jssc.1997.7366
_journal_volume                  131
_journal_year                    1997
_chemical_formula_structural     'Li Mn2 O4'
_chemical_formula_sum            'Li Mn2 O4'
_chemical_name_systematic        'Lithium Dimanganese Tetraoxide'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_audit_creation_date             2003/04/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.2402
_cell_length_b                   8.2402
_cell_length_c                   8.2402
_cell_volume                     559.517
_cod_data_source_file            'data_LiMn2O4melanie053603.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395739381.2-D290F29E9218B844.cif
_cod_original_cell_volume        559.52
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               1513966
Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^ cations in orthorhombic LiMn~2~O~4~
Piszora, P.; Journal of Alloys and Compounds 382 (2004) 112–118; doi:10.1016/j.jallcom.2004.06.013

data_1513967
_publ_section_title
;
 Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^
 cations in orthorhombic LiMn~2~O~4~
;
_journal_coden_ASTM              JALCEU
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              112
_journal_page_last               118
_journal_paper_doi               10.1016/j.jallcom.2004.06.013
_journal_volume                  382
_journal_year                    2004
_chemical_formula_structural     'Li (Mn2 O4)'
_chemical_formula_sum            'Li Mn2 O4'
_chemical_name_systematic        'Lithium Manganese(III) Manganese(IV) Oxide'
_space_group_IT_number           70
_symmetry_Int_Tables_number      70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_audit_creation_date             2005/10/01
_audit_update_record             2011/02/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            72
_cell_length_a                   24.75193(13)
_cell_length_b                   24.87184(14)
_cell_length_c                   8.19950(4)
_cell_volume                     5047.83(5)
_refine_ls_R_factor_all          0.0393
_cod_data_source_file            'data_LiMn2O4melanie054700.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395739739.27-D290F29E9218B844.cif
_cod_original_cell_volume        5047.81
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_original_formula_sum        'Li1 Mn2 O4'
_cod_database_code               1513967