LMucko/crystallography-open-database huggingface dataset:
Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1) compounds
Jayaraman, V.; Magrez, A.; Caldes, M.; Joubert, O.; Brohan, L.; Ganne, M.; Piffard, Y.; Solid State Ionics 170 (2004) 17–24; doi:

data_1529132
_publ_section_title
;
 Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part
 I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1) compounds
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              17
_journal_page_last               24
_journal_volume                  170
_journal_year                    2004
_chemical_formula_sum            'Ba2 In1.95 O5.025 Ti0.05'
_chemical_name_systematic        'Ba2 ((In1.95 Ti0.05) O5.025)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2 2b'
_symmetry_space_group_name_H-M   'I c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0622
_cell_length_b                   16.812
_cell_length_c                   5.961
_cell_volume                     607.531
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Jayaraman_SSIOD3_2004_17.cif
_cod_data_source_block           Ba2In1.95O5.025Ti0.05
_cod_original_cell_volume        607.5314
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,y,-x)'
_cod_database_code               1529132
Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds
Jayaraman, V.; Magrez, A.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L.; Solid State Ionics 170 (2004) 17–24; doi:

data_1529133
_publ_section_title
;
 Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part
 I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              17
_journal_page_last               24
_journal_volume                  170
_journal_year                    2004
_chemical_formula_sum            'Ba2 In1.9 O5.05 Ti0.1'
_chemical_name_systematic        'Ba2 ((In1.9 Ti0.1) O5.05)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2 2b'
_symmetry_space_group_name_H-M   'I c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.053
_cell_length_b                   16.8294
_cell_length_c                   5.9619
_cell_volume                     607.329
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Jayaraman_SSIOD3_2004_18.cif
_cod_data_source_block           Ba2In1.9O5.05Ti0.1
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,y,-x)'
_cod_database_code               1529133
Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds
Jayaraman, V.; Magrez, A.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L.; Solid State Ionics 170 (2004) 17–24; doi:

data_1529134
_publ_section_title
;
 Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part
 I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              17
_journal_page_last               24
_journal_volume                  170
_journal_year                    2004
_chemical_formula_sum            'Ba2 In1.85 O5.075 Ti0.15'
_chemical_name_systematic        'Ba2 ((In1.85 Ti0.15) O5.075)'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2 2b'
_symmetry_space_group_name_H-M   'I c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0387
_cell_length_b                   16.8248
_cell_length_c                   5.9593
_cell_volume                     605.464
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Jayaraman_SSIOD3_2004_19.cif
_cod_data_source_block           Ba2In1.85O5.075Ti0.15
_cod_original_cell_volume        605.4644
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,y,-x)'
_cod_database_code               1529134
Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part II: the proton compounds Ba2 In2-2x Ti2x O5+x O4+2x (O H)y (0 < x < 1; y < 2(1-x))
Jayaraman, V.; Magrez, A.; Caldes, M.; Brohan, L.; Joubert, O.; Piffard, Y.; Taulelle, F.; Rodriguez-Carvajal, J.; Solid State Ionics 170 (2004) 25–32; doi:

data_1529135
_publ_section_title
;
 Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part
 II: the proton compounds Ba2 In2-2x Ti2x O5+x O4+2x (O H)y (0 < x < 1; y
 < 2(1-x))
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              25
_journal_page_last               32
_journal_volume                  170
_journal_year                    2004
_chemical_formula_sum            'Ba2 D2 In2 O6'
_chemical_name_systematic        'Ba2 (In2 O4 (O D)2)'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.915
_cell_length_b                   5.915
_cell_length_c                   8.9989
_cell_volume                     314.847
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Jayaraman_SSIOD3_2004_20.cif
_cod_data_source_block           D2Ba2In2O6
_cod_original_cell_volume        314.8466
_cod_original_formula_sum        'D2 Ba2 In2 O6'
_cod_database_code               1529135
Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties
Jha, P.; Ganguli, A.K.; Solid State Sciences 6 (2004) 663–671; doi:

data_1529136
_publ_section_title
;
 Complex rare-earth titanates with the perovskite structure: Rietveld
 studies and dielectric properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              663
_journal_page_last               671
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum
'Ba0.69 Ca0.17 Cd0.114 La0.361 O3.096 Ti0.886'
_chemical_name_systematic
;
(La0.361 Ba0.690 Ca0.17) ((Cd0.114 Ti0.886) O3.096)
;
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0411
_cell_length_b                   4.0411
_cell_length_c                   4.0411
_cell_volume                     65.993
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Jha_SSSCFJ_2004_94.cif
_cod_data_source_block           Ba0.69Ca0.17Cd0.114La0.361O3.096Ti0.886
_cod_original_cell_volume        65.99314
_cod_database_code               1529136
Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties
Jha, P.; Ganguli, A.K.; Solid State Sciences 6 (2004) 663–671; doi:

data_1529137
_publ_section_title
;
 Complex rare-earth titanates with the perovskite structure: Rietveld
 studies and dielectric properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              663
_journal_page_last               671
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81'
_chemical_name_systematic
'(La0.35 Ba0.37 Ca0.31) ((Cd0.025 Ti0.810) O2.775)'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.0119
_cell_length_b                   4.0119
_cell_length_c                   4.0119
_cell_volume                     64.573
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Jha_SSSCFJ_2004_95.cif
_cod_data_source_block           Ba0.37Ca0.31Cd0.025La0.35O2.775Ti0.81
_cod_original_cell_volume        64.5729
_cod_database_code               1529137
Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties
Jha, P.; Ganguli, A.K.; Solid State Sciences 6 (2004) 663–671; doi:

data_1529138
_publ_section_title
;
 Complex rare-earth titanates with the perovskite structure: Rietveld
 studies and dielectric properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              663
_journal_page_last               671
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum
'Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.57 Zn0.128'
_chemical_name_systematic
;
(La0.4 Ba0.4 Ca0.2) ((Cd0.072 Zn0.128 Ti0.57) O2.58)
;
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9875
_cell_length_b                   3.9875
_cell_length_c                   3.9875
_cell_volume                     63.402
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Jha_SSSCFJ_2004_96.cif
_cod_data_source_block           Ba0.4Ca0.2Cd0.072La0.4O2.58Ti0.57Zn0.128
_cod_original_cell_volume        63.40187
_cod_database_code               1529138
La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates
Kahlenberg, V.; Krueger, H.; Solid State Sciences 6 (2004) 553–560; doi:

data_1529139
_publ_section_title
;
 La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal
 structures of two synthetic lanthanum alumosilicates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               560
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Al La O5 Si'
_chemical_name_systematic        'La (Al Si O5)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.0525
_cell_length_b                   5.2261
_cell_length_c                   23.7049
_cell_volume                     1369.230
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kahlenberg_SSSCFJ_2004_73.cif
_cod_data_source_block           Al1La1O5Si1
_cod_original_cell_volume        1369.23
_cod_original_formula_sum        'Al1 La1 O5 Si1'
_cod_database_code               1529139
La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates
Kahlenberg, V.; Krueger, H.; Solid State Sciences 6 (2004) 553–560; doi:

data_1529140
_publ_section_title
;
 La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal
 structures of two synthetic lanthanum alumosilicates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               560
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Al1.14 La9.71 O26 Si4.86'
_chemical_name_systematic        'La9.71 (Al0.19 Si0.81 O4)6 O2'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.7532
_cell_length_b                   9.7532
_cell_length_c                   7.2371
_cell_volume                     596.197
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kahlenberg_SSSCFJ_2004_74.cif
_cod_data_source_block           Al1.14La9.71O26Si4.86
_cod_original_cell_volume        596.1965
_cod_database_code               1529140
Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
Knee, C.S.; Weller, M.T.; Field, M.A.L.; Solid State Sciences 6 (2004) 443–450; doi:

data_1529141
_publ_section_title
;
 Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5
 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              443
_journal_page_last               450
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cl2 Fe2 O5 Sr3'
_chemical_name_systematic        'Sr3 (Fe2 O5 Cl2)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.93849
_cell_length_b                   3.93849
_cell_length_c                   23.6901
_cell_volume                     367.474
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Knee_SSSCFJ_2004_75.cif
_cod_data_source_block           Cl2Fe2O5Sr3
_cod_original_cell_volume        367.4738
_cod_database_code               1529141
Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
Knee, C.S.; Field, M.A.L.; Weller, M.T.; Solid State Sciences 6 (2004) 443–450; doi:

data_1529142
_publ_section_title
;
 Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5
 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              443
_journal_page_last               450
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Br2 Fe2 O5 Sr3'
_chemical_name_systematic        'Sr3 (Fe2 O5 Br2)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.95465
_cell_length_b                   3.95465
_cell_length_c                   25.4146
_cell_volume                     397.465
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Knee_SSSCFJ_2004_76.cif
_cod_data_source_block           Br2Fe2O5Sr3
_cod_original_cell_volume        397.4655
_cod_database_code               1529142
Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
Knee, C.S.; Field, M.A.L.; Weller, M.T.; Solid State Sciences 6 (2004) 443–450; doi:

data_1529143
_publ_section_title
;
 Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5
 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              443
_journal_page_last               450
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cl2 Co0.88 Fe1.12 O5 Sr3'
_chemical_name_systematic        'Sr3 ((Fe0.56 Co0.44)2 O5 Cl2)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.92946
_cell_length_b                   3.92946
_cell_length_c                   23.8766
_cell_volume                     368.670
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Knee_SSSCFJ_2004_78.cif
_cod_data_source_block           Cl2Co0.88Fe1.12O5Sr3
_cod_original_cell_volume        368.6704
_cod_database_code               1529143
Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
Knee, C.S.; Field, M.A.L.; Weller, M.T.; Solid State Sciences 6 (2004) 443–450; doi:

data_1529144
_publ_section_title
;
 Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5
 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              443
_journal_page_last               450
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cl2 Co0.86 Fe1.14 O5 Sr3'
_chemical_name_systematic        'Sr3 ((Fe0.57 Co0.43)2 O5 Cl2)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.91932
_cell_length_b                   3.91932
_cell_length_c                   23.7782
_cell_volume                     365.259
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Knee_SSSCFJ_2004_79.cif
_cod_data_source_block           Cl2Co0.86Fe1.14O5Sr3
_cod_original_cell_volume        365.2586
_cod_database_code               1529144
Crystal Structure of K2 U7 O22
Kovba, L.M.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 13 (1972) 256–258; doi:

data_1529145
_publ_section_title
;
 Crystal Structure of K2 U7 O22
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              256
_journal_page_last               258
_journal_volume                  13
_journal_year                    1972
_chemical_formula_sum            'K2 O22 U7'
_chemical_name_systematic        'K2 U7 O22'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.945
_cell_length_b                   19.533
_cell_length_c                   7.215
_cell_volume                     978.763
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Kovba_ZSTKAI_1972_41.cif
_cod_data_source_block           K2O22U7
_cod_original_cell_volume        978.7631
_cod_database_code               1529145
Structure of lithium triuranate
Kovba, L.M.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 13 (1972) 458–460; doi:

data_1529146
_publ_section_title
;
 Structure of lithium triuranate
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              458
_journal_page_last               460
_journal_volume                  13
_journal_year                    1972
_chemical_formula_sum            'O10 U3'
_chemical_name_systematic        'Li2 (U3 O10)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.56
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.821
_cell_length_b                   18.91
_cell_length_c                   7.3
_cell_volume                     802.323
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Kovba_ZSTKAI_1972_47.cif
_cod_data_source_block           O10U3
_cod_database_code               1529146
Electronic and magnetic behaviour of Li1/2+x/2 Tix Cr5/2-3x/2 O4 spinels
Martin, P.; Lopez, M.L.; Veiga, M.L.; Pico, C.; Solid State Sciences 6 (2004) 325–331; doi:

data_1529147
_publ_section_title
;
 Electronic and magnetic behaviour of Li1/2+x/2 Tix Cr5/2-3x/2 O4 spinels
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              325
_journal_page_last               331
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cr0.1 Li1.3 O4 Ti1.6'
_chemical_name_systematic
'(Li0.932 Ti0.068) ((Cr0.1 Li0.368 Ti1.532) O4)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.352
_cell_length_b                   8.352
_cell_length_c                   8.352
_cell_volume                     582.601
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Martin_SSSCFJ_2004_50.cif
_cod_data_source_block           Cr0.1Li1.3O4Ti1.6
_cod_original_cell_volume        582.6014
_cod_database_code               1529147
Hg4 O F6, das erste Quecksilberoxidfluorid
Mueller, B.G.; Klein, W.; Jansen, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 1123–1125; doi:

data_1529148
_publ_section_title
;
 Hg4 O F6, das erste Quecksilberoxidfluorid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1123
_journal_page_last               1125
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'F6 Hg4 O'
_chemical_name_systematic        'Hg4 O F6'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.7457
_cell_length_b                   7.7457
_cell_length_c                   6.0075
_cell_volume                     312.137
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_2004_107.cif
_cod_data_source_block           F6Hg4O1
_cod_original_cell_volume        312.1374
_cod_original_formula_sum        'F6 Hg4 O1'
_cod_database_code               1529148
A theoretical study of olivine Li M P O4 cathodes
Osorio-Guillen, J.M.; Holm, B.; Ahuja, R.; Johansson, B.; Solid State Ionics 167 (2004) 221–227; doi:10.1016/j.ssi.2003.09.015

data_1529149
_publ_section_title
;
 A theoretical study of olivine Li M P O4 cathodes
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              221
_journal_page_last               227
_journal_paper_doi               10.1016/j.ssi.2003.09.015
_journal_volume                  167
_journal_year                    2004
_chemical_formula_sum            'Li Mn O4 P'
_chemical_name_systematic        'Li Mn (P O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8616
_cell_length_b                   6.2815
_cell_length_c                   4.855
_cell_volume                     331.243
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Osorio-Guillen_SSIOD3_2004_2.cif
_cod_data_source_block           Li1Mn1O4P1
_cod_original_cell_volume        331.2428
_cod_original_formula_sum        'Li1 Mn1 O4 P1'
_cod_struct_determination_method theoretical
_cod_database_code               1529149