LMucko/crystallography-open-database huggingface dataset:
Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase
Gutzmann, A.; Naether, C.; Bensch, W.; Solid State Sciences 6 (2004) 1155–1162; doi:

data_1534852
_publ_section_title
;
 Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6
 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the
 ternary Ta P S6 phase
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1155
_journal_page_last               1162
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'K0.38 P S6 Ta'
_chemical_name_systematic        'K0.38 (Ta P S6)'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.92
_cell_length_b                   15.92
_cell_length_c                   13.15
_cell_volume                     3332.820
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2004_1519.cif
_cod_data_source_block           K0.38P1S6Ta1
_cod_original_cell_volume        3332.82
_cod_original_formula_sum        'K0.38 P1 S6 Ta1'
_cod_database_code               1534852
The space group of calcium peroxide octahydrate
Shineman, R.S.; King, A.J.; Acta Crystallographica (1,1948-23,1967) 4 (1951) 67–68; doi:

data_2310810
_publ_section_title
;
 The space group of calcium peroxide octahydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              67
_journal_page_last               68
_journal_volume                  4
_journal_year                    1951
_chemical_formula_sum            'Ca H16 O10'
_chemical_name_systematic        'Ca O2 (H2 O)8'
_space_group_IT_number           124
_symmetry_space_group_name_Hall  '-P 4 2c'
_symmetry_space_group_name_H-M   'P 4/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.21
_cell_length_b                   6.21
_cell_length_c                   11
_cell_volume                     424.205
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Shineman_ACCRA9_1951_541.cif
_cod_data_source_block           H16Ca1O10
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        424.2051
_cod_original_formula_sum        'H16 Ca1 O10'
_cod_database_code               2310810
Beitraege zum thermischen Verhalten und zur Kristallchemie von wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
Maafi, K.; Glaum, R.; Gruehn, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2081–2090; doi:

data_1534853
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2
 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2081
_journal_page_last               2090
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ca Cr O7 P2'
_chemical_name_systematic        'Ca Cr (P2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.12
_cell_angle_beta                 88.37
_cell_angle_gamma                67.72
_cell_formula_units_Z            2
_cell_length_a                   6.312
_cell_length_b                   6.499
_cell_length_c                   6.916
_cell_volume                     260.590
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maafi_ZAACAB_2001_130.cif
_cod_data_source_block           Ca1Cr1O7P2
_cod_original_cell_volume        260.5902
_cod_original_formula_sum        'Ca1 Cr1 O7 P2'
_cod_database_code               1534853
Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase
Gutzmann, A.; Naether, C.; Bensch, W.; Solid State Sciences 6 (2004) 1155–1162; doi:

data_1534854
_publ_section_title
;
 Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6
 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the
 ternary Ta P S6 phase
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1155
_journal_page_last               1162
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'P Rb0.46 S6 Ta'
_chemical_name_systematic        'Rb0.46 (Ta P S6)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.8802
_cell_length_b                   15.8802
_cell_length_c                   13.1561
_cell_volume                     3317.715
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Gutzmann_SSSCFJ_2004_1521.cif
_cod_data_source_block           P1Rb0.46S6Ta1
_cod_original_formula_sum        'P1 Rb0.46 S6 Ta1'
_cod_database_code               1534854
The first one-dimensional heteropoly tungstovanadate coordination polymer: [(V(V) O4) W(VI)8 M4 O36 (V (IV) O)2]n- (M = 0.71V(IV) + 0.29 W(VI), n=4.68)
Shivaiah, V.; Hajeebu, S.; Das, S.K.; Inorganic Chemistry Communications 5 (2002) 996–999; doi:

data_4344243
_publ_section_title
;
 The first one-dimensional heteropoly tungstovanadate coordination
 polymer: [(V(V) O4) W(VI)8 M4 O36 (V (IV) O)2]n- (M = 0.71V(IV) + 0.29
 W(VI), n=4.68)
;
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              996
_journal_page_last               999
_journal_volume                  5
_journal_year                    2002
_chemical_formula_sum            'O62 V5.8 W9.188'
_chemical_name_systematic
;
((V O4) W8 (V.71 W.29)4 O36 (V O)2 ) (H2 O)20 (N H4)5.3
;
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.8132
_cell_length_b                   15.8132
_cell_length_c                   11.1114
_cell_volume                     2778.487
_citation_journal_id_ASTM        ICCOFP
_cod_data_source_file            Shivaiah_ICCOFP_2002_835.cif
_cod_data_source_block           O62V5.8W9.188
_cod_database_code               4344243
Beitraege zum thermischen Verhalten und zur Kristallchemie von wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
Maass, K.; Gruehn, R.; Glaum, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2081–2090; doi:

data_1534855
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2
 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2081
_journal_page_last               2090
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ba Cr O7 P2'
_chemical_name_systematic        'Ba Cr (P2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.33
_cell_angle_beta                 89.91
_cell_angle_gamma                93.62
_cell_formula_units_Z            2
_cell_length_a                   5.382
_cell_length_b                   7.271
_cell_length_c                   7.589
_cell_volume                     288.373
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maass_ZAACAB_2001_131.cif
_cod_data_source_block           Ba1Cr1O7P2
_cod_original_cell_volume        288.3733
_cod_original_formula_sum        'Ba1 Cr1 O7 P2'
_cod_database_code               1534855
The Crystal Structures and Magnetic Properties of Ba2 La Ru O6 and Ca2 La Ru O6
Battle, P.D.; Goodenough, J.B.; Price, R.; Journal of Solid State Chemistry 46 (1983) 234–244; doi:

data_1534856
_publ_section_title
;
 The Crystal Structures and Magnetic Properties of Ba2 La Ru O6 and Ca2 La
 Ru O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              234
_journal_page_last               244
_journal_volume                  46
_journal_year                    1983
_chemical_formula_sum            'Ca2 La O6 Ru'
_chemical_name_systematic        'Ca2 La Ru O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.24
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.618
_cell_length_b                   5.8366
_cell_length_c                   8.0677
_cell_volume                     264.538
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_1983_134.cif
_cod_data_source_block           Ca2La1O6Ru1
_cod_original_cell_volume        264.5377
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ca2 La1 O6 Ru1'
_cod_database_code               1534856
Room Temperature Synthesis and Solid-State Structure of Ni2 P2 O6 . 12 H2 O
Haag, J.M.; LeBret, G.C.; Cleary, D.A.; Twamley, B.; Journal of Solid State Chemistry 178 (2005) 1308–1311; doi:

data_1534857
_publ_section_title
;
 Room Temperature Synthesis and Solid-State Structure of Ni2 P2 O6 . 12 H2
 O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1308
_journal_page_last               1311
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'H24 Ni2 O18 P2'
_chemical_name_systematic        '(Ni (H2 O)6)2 (P2 O6)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2418
_cell_length_b                   18.5245
_cell_length_c                   7.3188
_cell_volume                     1524.131
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Haag_JSSCBI_2005_1855.cif
_cod_data_source_block           H24Ni2O18P2
_cod_database_code               1534857
Crystal structure of Ba7 Sc6 Al2 O19
Shpanchenko, R.V.; Antipov, E.V.; Paromova, M.V.; Kovba, L.M.; Zhurnal Neorganicheskoi Khimii 36 (1991) 1402–1407; doi:

data_1534858
_publ_section_title
;
 Crystal structure of Ba7 Sc6 Al2 O19
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1402
_journal_page_last               1407
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Al2 Ba7 O19 Sc6'
_chemical_name_systematic        'Ba7 Sc6 Al2 O19'
_space_group_IT_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                   5.8056
_cell_length_b                   5.8056
_cell_length_c                   35.248
_cell_volume                     1028.867
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shpanchenko_ZNOKAQ_1991_1152.cif
_cod_data_source_block           Al2Ba7O19Sc6
_cod_database_code               1534858
Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4
Maass, K.; Glaum, R.; Gruehn, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1663–1672; doi:

data_1534859
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen
 Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und
 Ca2.00 Cr4.00 (P O4)4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1663
_journal_page_last               1672
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cr3 Mg3 O16 P4'
_chemical_name_systematic        '(Mg3 Cr3) (P O4)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.13
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.863
_cell_length_b                   9.507
_cell_length_c                   6.439
_cell_volume                     297.633
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maass_ZAACAB_2002_566.cif
_cod_data_source_block           Cr3Mg3O16P4
_cod_original_cell_volume        297.6334
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1534859
Synthese und Charakterisierung von Na5 As O5
Haas, H.; Jansen, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1013–1016; doi:

data_1534860
_publ_section_title
;
 Synthese und Charakterisierung von Na5 As O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1013
_journal_page_last               1016
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'As Na5 O5'
_chemical_name_systematic        'Na5 O (As O4)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.96394
_cell_length_b                   16.43335
_cell_length_c                   6.42132
_cell_volume                     629.338
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haas_ZAACAB_2001_119.cif
_cod_data_source_block           As1Na5O5
_cod_original_cell_volume        629.3376
_cod_original_formula_sum        'As1 Na5 O5'
_cod_database_code               1534860
Ba2ZrO4 and its crystalline hydrates
Shpanchenko, R.V.; Antipov, E.V.; Kovba, L.M.; Zhurnal Neorganicheskoi Khimii 38 (1993) 599–605; doi:

data_1534861
_publ_section_title
;
 Ba2ZrO4 and its crystalline hydrates
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              599
_journal_page_last               605
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Ba2 O4 Zr'
_chemical_name_systematic        'Ba2 Zr O4'
_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                   4.2045
_cell_length_b                   4.2045
_cell_length_c                   13.587
_cell_volume                     240.189
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shpanchenko_ZNOKAQ_1993_1357.cif
_cod_data_source_block           Ba2O4Zr1
_cod_original_cell_volume        240.1886
_cod_original_formula_sum        'Ba2 O4 Zr1'
_cod_database_code               1534861
Comparative d'apatites contenant l'ion (Re O5)3-. Structure des fluoro et carbonatoapatites
Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.; Annales de Chimie (Paris) 5 (1980) 575–583; doi:

data_1534862
_publ_section_title
;
 Comparative d'apatites contenant l'ion (Re O5)3-. Structure des fluoro et
 carbonatoapatites
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              575
_journal_page_last               583
_journal_volume                  5
_journal_year                    1980
_chemical_formula_sum            'Ba5 F O15 Re3'
_chemical_name_systematic        'Ba5 F (Re O5)3'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.83
_cell_length_b                   10.83
_cell_length_c                   7.855
_cell_volume                     797.873
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Baud_ANCPAC_1980_528.cif
_cod_data_source_block           Ba5F1O15Re3
_cod_original_cell_volume        797.8729
_cod_original_formula_sum        'Ba5 F1 O15 Re3'
_cod_database_code               1534862
Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4
Maass, K.; Glaum, R.; Gruehn, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1663–1672; doi:

data_1534863
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen
 Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und
 Ca2.00 Cr4.00 (P O4)4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1663
_journal_page_last               1672
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ca3 Cr3 O16 P4'
_chemical_name_systematic        'Ca3 Cr3 (P O4)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.96
_cell_angle_beta                 106.03
_cell_angle_gamma                110.19
_cell_formula_units_Z            2
_cell_length_a                   8.961
_cell_length_b                   8.994
_cell_length_c                   9.881
_cell_volume                     660.925
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maass_ZAACAB_2002_567.cif
_cod_data_source_block           Ca3Cr3O16P4
_cod_original_cell_volume        660.9247
_cod_database_code               1534863
Na4 Se O5, ein neues Pentaoxoselenat(VI) - Synthese, Charakterisierung und Vergleich mit isotypem Na4 Mo O5
Haas, H.; Jansen, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 755–760; doi:

data_1534864
_publ_section_title
;
 Na4 Se O5, ein neues Pentaoxoselenat(VI) - Synthese, Charakterisierung
 und Vergleich mit isotypem Na4 Mo O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              755
_journal_page_last               760
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Mo Na4 O5'
_chemical_name_systematic        'Na4 (Mo O5)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.543
_cell_angle_beta                 96.293
_cell_angle_gamma                113.353
_cell_formula_units_Z            4
_cell_length_a                   9.99522
_cell_length_b                   10.01978
_cell_length_c                   5.65137
_cell_volume                     508.747
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Haas_ZAACAB_2001_53.cif
_cod_data_source_block           Mo1Na4O5
_cod_original_cell_volume        508.7469
_cod_original_formula_sum        'Mo1 Na4 O5'
_cod_database_code               1534864
Ba2ZrO4 and its crystalline hydrates
Shpanchenko, R.V.; Antipov, E.V.; Kovba, L.M.; Zhurnal Neorganicheskoi Khimii 38 (1993) 599–605; doi:

data_1534865
_publ_section_title
;
 Ba2ZrO4 and its crystalline hydrates
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              599
_journal_page_last               605
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Ba2 H3.1 O5.55 Zr'
_chemical_name_systematic        'Ba2 Zr O4 (H2 O)1.55'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.167
_cell_length_b                   4.167
_cell_length_c                   8.536
_cell_volume                     148.218
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shpanchenko_ZNOKAQ_1993_1358.cif
_cod_data_source_block           H3.1Ba2O5.55Zr1
_cod_original_cell_volume        148.2182
_cod_original_formula_sum        'H3.1 Ba2 O5.55 Zr1'
_cod_database_code               1534865
Comparative d'apatites contenant l'ion (re O5)(3-). Structure des fluoro et carbonatoapatites
Baud, G.; Besse, J.P.; Capestan, M.; Chevalier, R.; Sueur, G.; Annales de Chimie (Paris) 5 (1980) 575–583; doi:

data_1534866
_publ_section_title
;
 Comparative d'apatites contenant l'ion (re O5)(3-). Structure des fluoro
 et carbonatoapatites
;
_journal_name_full               'Annales de Chimie (Paris)'
_journal_page_first              575
_journal_page_last               583
_journal_volume                  5
_journal_year                    1980
_chemical_formula_sum            'C0.5 Ba5 O15 Re3'
_chemical_name_systematic        'Ba5 (Re O5)3 (C O3)0.5'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.938
_cell_length_b                   10.938
_cell_length_c                   7.788
_cell_volume                     806.924
_citation_journal_id_ASTM        ANCPAC
_cod_data_source_file            Baud_ANCPAC_1980_529.cif
_cod_data_source_block           Ba5C0.5O15Re3
_cod_original_cell_volume        806.9236
_cod_original_formula_sum        'Ba5 C0.5 O15 Re3'
_cod_database_code               1534866