LMucko/crystallography-open-database huggingface dataset:
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Milman, V.; Acta Crystallographica B (39,1983-) 58 (2002) 437–447; doi:10.1107/S0108768102003269

data_2106769
_publ_section_title
;
 Klockmannite, Cu Se: structure, properties and phase stability from ab
 initio modelling
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              437
_journal_page_last               447
_journal_paper_doi               10.1107/S0108768102003269
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Cu Se'
_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            6
_cell_length_a                   3.706
_cell_length_b                   3.706
_cell_length_c                   12.046
_cell_volume                     143.280
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Milman_ASBSDK_2002_180.cif
_cod_data_source_block           Cu1Se1
_cod_original_cell_volume        143.2796
_cod_original_formula_sum        'Cu1 Se1'
_cod_database_code               2106769
Structure of the thio-LISICON, Li4 Ge S4
Murayama, M.; Kanno, R.; Kawamoto, Y.; Kamiyama, T.; Solid State Ionics 154 (2002) 789–794; doi:

data_1531922
_publ_section_title
;
 Structure of the thio-LISICON, Li4 Ge S4
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              789
_journal_page_last               794
_journal_volume                  154
_journal_year                    2002
_chemical_formula_sum            'Ge Li4 S4'
_chemical_name_systematic        'Li4 Ge S4'
_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                   14.034
_cell_length_b                   7.7548
_cell_length_c                   6.15023
_cell_volume                     669.335
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Murayama_SSIOD3_2002_874.cif
_cod_data_source_block           Ge1Li4S4
_cod_original_cell_volume        669.3348
_cod_original_formula_sum        'Ge1 Li4 S4'
_cod_database_code               1531922
Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling
Milman, V.; Acta Crystallographica B (39,1983-) 58 (2002) 437–447; doi:10.1107/S0108768102003269

data_2106770
_publ_section_title
;
 Klockmannite, Cu Se: structure, properties and phase stability from ab
 initio modelling
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              437
_journal_page_last               447
_journal_paper_doi               10.1107/S0108768102003269
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'Cu Se'
_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            6
_cell_length_a                   3.691
_cell_length_b                   3.691
_cell_length_c                   11.442
_cell_volume                     134.996
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Milman_ASBSDK_2002_181.cif
_cod_data_source_block           Cu1Se1
_cod_original_cell_volume        134.9959
_cod_original_formula_sum        'Cu1 Se1'
_cod_database_code               2106770
New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure
Nagarajan, R.; Jayaraj, M.K.; Uma, S.; Tate, J.; Sleight, A.W.; Solid State Sciences 4 (2002) 787–792; doi:

data_1531923
_publ_section_title
;
 New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite
 structure
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              787
_journal_page_last               792
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu Mn0.662 O2 Sb0.338'
_chemical_name_systematic        'Cu (Mn0.662 Sb0.338) O2'
_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                   3.183
_cell_length_b                   3.183
_cell_length_c                   11.474
_cell_volume                     100.674
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Nagarajan_SSSCFJ_2002_939.cif
_cod_data_source_block           Cu1Mn0.662O2Sb0.338
_cod_original_cell_volume        100.6743
_cod_original_formula_sum        'Cu1 Mn0.662 O2 Sb0.338'
_cod_database_code               1531923
Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2
Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V.; Zhurnal Neorganicheskoi Khimii 46 (2001) 1293–1296; doi:

data_1531924
_publ_section_title
;
 Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate
 (Ru (N O) (O H) (N H3)4) (Re O4)2
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1293
_journal_page_last               1296
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'H13 N5 O10 Re2 Ru'
_chemical_name_systematic        '(Ru (N O) (O H) (N H3)4) (Re O4)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.424
_cell_length_b                   12.044
_cell_length_c                   15.04
_cell_volume                     2612.789
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Minacheva_ZNOKAQ_2001_89.cif
_cod_data_source_block           H13N5O10Re2Ru1
_cod_original_formula_sum        'H13 N5 O10 Re2 Ru1'
_cod_database_code               1531924
New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure
Nagarajan, R.; Uma, S.; Jayaraj, M.K.; Tate, J.; Sleight, A.W.; Solid State Sciences 4 (2002) 787–792; doi:

data_1531925
_publ_section_title
;
 New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite
 structure
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              787
_journal_page_last               792
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cu3 Mg2 O6 Sb'
_chemical_name_systematic        'Cu3 Mg2 Sb O6'
_space_group_IT_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            6
_cell_length_a                   5.344
_cell_length_b                   5.344
_cell_length_c                   34.327
_cell_volume                     848.984
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Nagarajan_SSSCFJ_2002_940.cif
_cod_data_source_block           Cu3Mg2O6Sb1
_cod_original_cell_volume        848.9837
_cod_original_formula_sum        'Cu3 Mg2 O6 Sb1'
_cod_database_code               1531925
Magnetic properties of Sr2 Pd1-x Mx O3 (M = Co, Cu)
Nagata, Y.; Taniguchi, T.; Satho, M.; Tanaka, G.; Samata, H.; Journal of Alloys Compd. 346 (2002) 50–56; doi:

data_1531926
_publ_section_title
;
 Magnetic properties of Sr2 Pd1-x Mx O3 (M = Co, Cu)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              50
_journal_page_last               56
_journal_volume                  346
_journal_year                    2002
_chemical_formula_sum            'O3 Pd Sr2'
_chemical_name_systematic        'Sr2 (Pd O3)'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.985
_cell_length_b                   3.539
_cell_length_c                   12.847
_cell_volume                     181.180
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nagata_JALCEU_2002_572.cif
_cod_data_source_block           O3Pd1Sr2
_cod_original_cell_volume        181.1801
_cod_original_formula_sum        'O3 Pd1 Sr2'
_cod_database_code               1531926
Structural analysis of La0.025 Sr0.975 Mn O3 with a new layered structure
Nakano, H.; Mori, T.; Kamegashira, N.; Journal of Alloys Compd. 343 (2002) 179–185; doi:

data_1531927
_publ_section_title
;
 Structural analysis of La0.025 Sr0.975 Mn O3 with a new layered structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              179
_journal_page_last               185
_journal_volume                  343
_journal_year                    2002
_chemical_formula_sum            'La0.025 Mn O3 Sr0.975'
_chemical_name_systematic        '(La0.025 Sr0.975) (Mn O3)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.447
_cell_length_b                   5.447
_cell_length_c                   9.089
_cell_volume                     233.540
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nakano_JALCEU_2002_515.cif
_cod_data_source_block           La0.025Mn1O3Sr0.975
_cod_original_cell_volume        233.5401
_cod_original_formula_sum        'La0.025 Mn1 O3 Sr0.975'
_cod_database_code               1531927
Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
Nalini, G.; Guru Row, T.N.; Bulletin of Materials Science (Bangalore) 25 (2002) 275–281; doi:

data_1531928
_publ_section_title
;
 Structure determination at room temperature and phase transition studies
 above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
;
_journal_name_full               'Bulletin of Materials Science (Bangalore)'
_journal_page_first              275
_journal_page_last               281
_journal_volume                  25
_journal_year                    2002
_chemical_formula_sum            'Ba Bi4 O15 Ti4'
_chemical_name_systematic        '(Ba Bi4) Ti4 O15'
_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                   3.864
_cell_length_b                   3.864
_cell_length_c                   41.8341
_cell_volume                     624.604
_citation_journal_id_ASTM        BUMSDW
_cod_data_source_file            Nalini_BUMSDW_2002_1660.cif
_cod_data_source_block           Ba1Bi4O15Ti4
_cod_original_cell_volume        624.6039
_cod_original_formula_sum        'Ba1 Bi4 O15 Ti4'
_cod_database_code               1531928
Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
Nalini, G.; Guru Row, T.N.; Bulletin of Materials Science (Bangalore) 25 (2002) 275–281; doi:

data_1531929
_publ_section_title
;
 Structure determination at room temperature and phase transition studies
 above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
;
_journal_name_full               'Bulletin of Materials Science (Bangalore)'
_journal_page_first              275
_journal_page_last               281
_journal_volume                  25
_journal_year                    2002
_chemical_formula_sum            'Bi3.81 O15 Sr1.19 Ti4'
_chemical_name_systematic        '(Sr1.19 Bi3.81) Ti4 O15'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.451
_cell_length_b                   5.4415
_cell_length_c                   41.0233
_cell_volume                     1216.817
_citation_journal_id_ASTM        BUMSDW
_cod_data_source_file            Nalini_BUMSDW_2002_1661.cif
_cod_data_source_block           Bi3.81O15Sr1.19Ti4
_cod_original_cell_volume        1216.818
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_database_code               1531929
Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
Nalini, G.; Guru Row, T.N.; Bulletin of Materials Science (Bangalore) 25 (2002) 275–281; doi:

data_1531930
_publ_section_title
;
 Structure determination at room temperature and phase transition studies
 above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)
;
_journal_name_full               'Bulletin of Materials Science (Bangalore)'
_journal_page_first              275
_journal_page_last               281
_journal_volume                  25
_journal_year                    2002
_chemical_formula_sum            'Bi4.04 O15 Pb0.96 Ti4'
_chemical_name_systematic        '(Pb0.96 Bi1.04) Bi3 Ti4 O15'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4267
_cell_length_b                   5.4458
_cell_length_c                   41.4121
_cell_volume                     1223.840
_citation_journal_id_ASTM        BUMSDW
_cod_data_source_file            Nalini_BUMSDW_2002_1662.cif
_cod_data_source_block           Bi4.04O15Pb0.96Ti4
_cod_original_cell_volume        1223.84
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_database_code               1531930
Variable temperature X-ray crystal structure analysis of a type I langbeinite: Rb2 Cd2 (S O4)3
Nalini, G.; Guru Row, T.N.; Chemistry of Materials (1,1989-) 14 (2002) 4729–4735; doi:

data_4002529
_publ_section_title
;
 Variable temperature X-ray crystal structure analysis of a type I
 langbeinite: Rb2 Cd2 (S O4)3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4729
_journal_page_last               4735
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Cd2 O12 Rb2 S3'
_chemical_name_systematic        'Rb2 Cd2 (S O4)3'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.378
_cell_length_b                   10.378
_cell_length_c                   10.378
_cell_volume                     1117.741
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Nalini_CMATEX_2002_1676.cif
_cod_data_source_block           Cd2O12Rb2S3
_cod_database_code               4002529
Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C
Narten, A.H.; Journal of Chemical Physics 56 (1972) 1905–1909; doi:

data_1531931
_publ_section_title
;
 Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25
 C
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1905
_journal_page_last               1909
_journal_volume                  56
_journal_year                    1972
_chemical_formula_sum            'Be F2'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.9
_cell_length_b                   4.9
_cell_length_c                   5.38
_cell_volume                     111.868
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Narten_JCPSA6_1972_260.cif
_cod_data_source_block           Be1F2
_cod_original_cell_volume        111.8678
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_original_formula_sum        'Be1 F2'
_cod_database_code               1531931
Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C
Narten, A.H.; Journal of Chemical Physics 56 (1972) 1905–1909; doi:

data_1531932
_publ_section_title
;
 Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25
 C
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1905
_journal_page_last               1909
_journal_volume                  56
_journal_year                    1972
_chemical_formula_sum            'O1.76 Si0.88'
_chemical_name_systematic        '(Si O2)0.88'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5
_cell_length_b                   5
_cell_length_c                   5.49
_cell_volume                     118.862
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Narten_JCPSA6_1972_266.cif
_cod_data_source_block           O1.76Si0.88
_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_database_code               1531932
Access to a novel niobium octahedral cluster core via soft chemistry: synthesis and structure of K2.6 Cs3.4 (Nb6 Cl4 O4 (O H)4 (C N)6) * 3(H2 O) containing isolated Nb6 Cl(i)4 O(i)4 (O H)(i)4 (C N)(a)6 cluster unit
Naumov, N.G.; Cordier, S.; Perrin, C.; Gulo, F.; Roisnel, T.; Fedorov, V.E.; Inorganica Chimica Acta 350 (2003) 503–510; doi:

data_1531933
_publ_section_title
;
 Access to a novel niobium octahedral cluster core via soft chemistry:
 synthesis and structure of K2.6 Cs3.4 (Nb6 Cl4 O4 (O H)4 (C N)6) * 3(H2
 O) containing isolated Nb6 Cl(i)4 O(i)4 (O H)(i)4 (C N)(a)6 cluster unit
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              503
_journal_page_last               510
_journal_volume                  350
_journal_year                    2003
_chemical_formula_sum            'C6 H10.2 Cl4 Cs3.37 K2.6 N6 Nb6 O11.1'
_chemical_name_systematic
'K2.6 Cs3.37 (Cl4 O4 (O H)4 (Nb (C N))6) (H2 O)3.1'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.2177
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4336
_cell_length_b                   15.9281
_cell_length_c                   15.9619
_cell_volume                     3415.371
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Naumov_ICHAA3_2003_1828.cif
_cod_data_source_block           C6H10.2Cl4Cs3.37K2.6N6Nb6O11.1
_cod_database_code               1531933
Sodalite networks formed by metal squarates
Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.; Solid State Sciences 4 (2002) 1231–1236; doi:

data_1531934
_publ_section_title
;
 Sodalite networks formed by metal squarates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1231
_journal_page_last               1236
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C4 H4 Mn O6'
_chemical_name_systematic        'Mn (C4 O4) (H2 O)2'
_space_group_IT_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            9
_cell_length_a                   11.607
_cell_length_b                   11.607
_cell_length_c                   14.66
_cell_volume                     1710.427
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Neeraj_SSSCFJ_2002_898.cif
_cod_data_source_block           C4H4Mn1O6
_cod_original_formula_sum        'C4 H4 Mn1 O6'
_cod_database_code               1531934
Sodalite networks formed by metal squarates
Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.; Solid State Sciences 4 (2002) 1231–1236; doi:

data_1531935
_publ_section_title
;
 Sodalite networks formed by metal squarates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1231
_journal_page_last               1236
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C4 H4 O6 Zn'
_chemical_name_systematic        'Zn (C4 O4) (H2 O)2'
_space_group_IT_number           222
_symmetry_space_group_name_Hall  '-P 4a 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   16.256
_cell_length_b                   16.256
_cell_length_c                   16.256
_cell_volume                     4295.771
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Neeraj_SSSCFJ_2002_899.cif
_cod_data_source_block           C4H4O6Zn1
_cod_original_formula_sum        'C4 H4 O6 Zn1'
_cod_database_code               1531935
Structure and magnetic properties of a three-dimensional framework manganese(II) phosphate, (N H4) (Mn4 (P O4)3)
Neeraj, S.; Noy, M.L.; Cheetham, A.K.; Solid State Sciences 4 (2002) 397–404; doi:

data_1531936
_publ_section_title
;
 Structure and magnetic properties of a three-dimensional framework
 manganese(II) phosphate, (N H4) (Mn4 (P O4)3)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'H4 Mn4 N O12 P3'
_chemical_name_systematic        '(N H4) (Mn4 (P O4)3)'
_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                   9.8856
_cell_length_b                   16.745
_cell_length_c                   6.4639
_cell_volume                     1069.998
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Neeraj_SSSCFJ_2002_929.cif
_cod_data_source_block           H4Mn4N1O12P3
_cod_original_formula_sum        'H4 Mn4 N1 O12 P3'
_cod_database_code               1531936