LMucko/crystallography-open-database huggingface dataset:
New mixed-valent iron(II/III) phosphates, Cu3-x Fe4+x (P O4)6
Belik, A.A.; Malakho, A.P.; Khasanov, S.S.; Lazoryak, B.I.; Pokholov, K.V.; Journal of Solid State Chemistry 150 (2000) 159–166; doi:

data_1520812
_publ_section_title
;
 New mixed-valent iron(II/III) phosphates, Cu3-x Fe4+x (P O4)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              159
_journal_page_last               166
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Cu2 Fe5 O24 P6'
_chemical_name_systematic        'Cu2 Fe5 (P O4)6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.564
_cell_angle_beta                 101.04
_cell_angle_gamma                105.643
_cell_formula_units_Z            1
_cell_length_a                   7.9434
_cell_length_b                   9.3089
_cell_length_c                   6.2654
_cell_volume                     406.112
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Belik_JSSCBI_2000_1778.cif
_cod_data_source_block           Cu2Fe5O24P6
_cod_original_cell_volume        406.1116
_cod_database_code               1520812
Synthesis and crystal structure of Li Cu Fe2 (V O4)3 by Rietveld method
Belik, A.A.; Materials Research Bulletin 34 (1999) 1973–1980; doi:

data_1520813
_publ_section_title
;
 Synthesis and crystal structure of Li Cu Fe2 (V O4)3 by Rietveld method
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1973
_journal_page_last               1980
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Cu Fe2 Li O12 V3'
_chemical_name_systematic        'Li Cu Fe2 (V O4)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.832
_cell_angle_beta                 102.353
_cell_angle_gamma                106.975
_cell_formula_units_Z            2
_cell_length_a                   8.1484
_cell_length_b                   9.8024
_cell_length_c                   6.6355
_cell_volume                     468.678
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Belik_MRBUAC_1999_511.cif
_cod_data_source_block           Cu1Fe2Li1O12V3
_cod_original_cell_volume        468.6776
_cod_original_formula_sum        'Cu1 Fe2 Li1 O12 V3'
_cod_database_code               1520813
Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates
Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.; Materials Research Bulletin 34 (1999) 883–893; doi:

data_1520814
_publ_section_title
;
 Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K)
 phosphates
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              883
_journal_page_last               893
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ca9 Co Li O28 P7'
_chemical_name_systematic        'Ca9 Co Li (P O4)7'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.3276
_cell_length_b                   10.3276
_cell_length_c                   37.1
_cell_volume                     3426.915
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Belik_MRBUAC_1999_536.cif
_cod_data_source_block           Ca9Co1Li1O28P7
_cod_original_formula_sum        'Ca9 Co1 Li1 O28 P7'
_cod_database_code               1520814
Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
Balagurov, A.M.; Sheptyakov, D.V.; Radaelli, P.G.; Aksenov, V.L.; Putilin, S.N.; Antipov, E.V.; Marezio, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 59 (1999) 7209–7215; doi:

data_1520815
_publ_section_title
;
 Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7209
_journal_page_last               7215
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu Hg O4.054'
_chemical_name_systematic        'Hg Ba2 Cu O4.054'
_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                   3.8891
_cell_length_b                   3.8891
_cell_length_c                   9.5407
_cell_volume                     144.304
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Balagurov_PRBMDO_1999_704.cif
_cod_data_source_block           Ba2Cu1Hg1O4.054
_cod_original_formula_sum        'Ba2 Cu1 Hg1 O4.054'
_cod_database_code               1520815
Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates
Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.; Materials Research Bulletin 34 (1999) 883–893; doi:

data_1520816
_publ_section_title
;
 Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K)
 phosphates
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              883
_journal_page_last               893
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ca9 Co Na O28 P7'
_chemical_name_systematic        'Ca9 Co Na (P O4)7'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.3515
_cell_length_b                   10.3515
_cell_length_c                   37.073
_cell_volume                     3440.289
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Belik_MRBUAC_1999_537.cif
_cod_data_source_block           Ca9Co1Na1O28P7
_cod_original_formula_sum        'Ca9 Co1 Na1 O28 P7'
_cod_database_code               1520816
Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates
Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.; Materials Research Bulletin 34 (1999) 883–893; doi:

data_1520817
_publ_section_title
;
 Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K)
 phosphates
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              883
_journal_page_last               893
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ca9 Co K O28 P7'
_chemical_name_systematic        'Ca9 Co K (P O4)7'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.4017
_cell_length_b                   10.4017
_cell_length_c                   37.009
_cell_volume                     3467.741
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Belik_MRBUAC_1999_538.cif
_cod_data_source_block           Ca9Co1K1O28P7
_cod_original_formula_sum        'Ca9 Co1 K1 O28 P7'
_cod_database_code               1520817
Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
Balagurov, A.M.; Sheptyakov, D.V.; Aksenov, V.L.; Antipov, E.V.; Putilin, S.N.; Radaelli, P.G.; Marezio, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 59 (1999) 7209–7215; doi:

data_1520818
_publ_section_title
;
 Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7209
_journal_page_last               7215
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu Hg O4.069'
_chemical_name_systematic        'Hg Ba2 Cu O4.069'
_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                   3.8768
_cell_length_b                   3.8768
_cell_length_c                   9.4964
_cell_volume                     142.727
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Balagurov_PRBMDO_1999_705.cif
_cod_data_source_block           Ba2Cu1Hg1O4.069
_cod_original_cell_volume        142.7269
_cod_original_formula_sum        'Ba2 Cu1 Hg1 O4.069'
_cod_database_code               1520818
Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li~6~P~6~O~18~ * 10(H~2~O)
Chaabane, T. Ben; Smiri-Dogguy, L.; Journal of Chemical Crystallography 29 (1999) 323–327; doi:10.1023/A:1009577902852

data_1520819
_publ_section_title
;
 Synthesis and crystal structure of a new lithium cyclohexaphosphate
 hydrate: Li~6~P~6~O~18~ * 10(H~2~O)
;
_journal_issue                   3
_journal_name_full               'Journal of Chemical Crystallography'
_journal_page_first              323
_journal_page_last               327
_journal_paper_doi               10.1023/A:1009577902852
_journal_volume                  29
_journal_year                    1999
_chemical_formula_sum            'H19.72 Li6 O27.86 P6'
_chemical_name_systematic        'Li6 (P6 O18) (H2 O)9.86'
_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                 122.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.113
_cell_length_b                   12.006
_cell_length_c                   15.892
_cell_volume                     2422.452
_citation_journal_id_ASTM        JCCYEV
_cod_data_source_file            BenChaabane_JCCYEV_1999_65.cif
_cod_data_source_block           H19.72Li6O27.86P6
_cod_database_code               1520819
Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
Balagurov, A.M.; Sheptyakov, D.V.; Aksenov, V.L.; Putilin, S.N.; Antipov, E.V.; Radaelli, P.G.; Marezio, M.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 59 (1999) 7209–7215; doi:

data_1520820
_publ_section_title
;
 Structure of Hg Ba2 Cu O4+d (0.06<d<0.19) at ambient and high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7209
_journal_page_last               7215
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu Hg O4.172'
_chemical_name_systematic        'Hg Ba2 Cu O4.172'
_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                   3.8693
_cell_length_b                   3.8693
_cell_length_c                   9.4913
_cell_volume                     142.099
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Balagurov_PRBMDO_1999_706.cif
_cod_data_source_block           Ba2Cu1Hg1O4.172
_cod_original_cell_volume        142.0988
_cod_original_formula_sum        'Ba2 Cu1 Hg1 O4.172'
_cod_database_code               1520820
The crystal structure of franzinite, the ten-layer mineral of the cancrinite group
Ballirano, P.; Maras, A.; Bonaccorsi, E.; Merlino, S.; Canadian Mineralogist 38 (2000) 657–668; doi:

data_1520821
_publ_section_title
;
 The crystal structure of franzinite, the ten-layer mineral of the
 cancrinite group
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              657
_journal_page_last               668
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Al30 Ca9.91 H4 K8.62 Na21.47 O162 S10 Si30'
_chemical_name_systematic
;
Na21.47 K8.62 Ca9.91 (Si30 Al30 O120) (S O4)10 (H2 O)2
;
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.916
_cell_length_b                   12.916
_cell_length_c                   26.543
_cell_volume                     3834.747
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Ballirano_CAMIA6_2000_977.cif
_cod_data_source_block           H4Al30Ca9.91K8.62Na21.47O162S10Si30
_cod_original_formula_sum        'H4 Al30 Ca9.91 K8.62 Na21.47 O162 S10 Si30'
_cod_database_code               1520821
Ce2 O2 Sb, Ce2 O2 Bi crystal structure
Benz, R.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 853–854; doi:

data_2106025
_publ_section_title
;
 Ce2 O2 Sb, Ce2 O2 Bi crystal structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              853
_journal_page_last               854
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Bi Ce2 O2'
_chemical_name_systematic        'Ce2 Bi O2'
_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                   4.034
_cell_length_b                   4.034
_cell_length_c                   13.736
_cell_volume                     223.528
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Benz_ACBCAR_1971_1790.cif
_cod_data_source_block           Bi1Ce2O2
_cod_original_cell_volume        223.5281
_cod_original_formula_sum        'Bi1 Ce2 O2'
_cod_database_code               2106025
Ce2 O2 Sb, Ce2 O2 Bi crystal structure
Benz, R.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 853–854; doi:

data_2106026
_publ_section_title
;
 Ce2 O2 Sb, Ce2 O2 Bi crystal structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              853
_journal_page_last               854
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Ce2 O2 Sb'
_chemical_name_systematic        'Ce2 Sb O2'
_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                   4.012
_cell_length_b                   4.012
_cell_length_c                   13.697
_cell_volume                     220.469
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Benz_ACBCAR_1971_1802.cif
_cod_data_source_block           Ce2O2Sb1
_cod_original_cell_volume        220.4689
_cod_original_formula_sum        'Ce2 O2 Sb1'
_cod_database_code               2106026
Kristallstruktur und thermische Analyse von Hydroxylammoniumhexafluorotitanat(IV) - dihydrat und Hydroxyalammoniumhexafluoroindat(III)
Ban, I.; Kristl, M.; Volavsek, B.; Golic, L.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 130 (1999) 401–408; doi:

data_1520822
_publ_section_title
;
 Kristallstruktur und thermische Analyse von
 Hydroxylammoniumhexafluorotitanat(IV) - dihydrat und
 Hydroxyalammoniumhexafluoroindat(III)
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              401
_journal_page_last               408
_journal_volume                  130
_journal_year                    1999
_chemical_formula_sum            'F6 H12 N2 O4 Ti'
_chemical_name_systematic        '(N H3 O H)2 (Ti F6) (H2 O)2'
_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                 110.653
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.203
_cell_length_b                   10.057
_cell_length_c                   7.464
_cell_volume                     435.707
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Ban_MOCMB7_1999_491.cif
_cod_data_source_block           H12F6N2O4Ti1
_cod_original_cell_volume        435.7066
_cod_original_formula_sum        'H12 F6 N2 O4 Ti1'
_cod_database_code               1520822
Ce2 O2 Sb, Ce2 O2 Bi crystal structure
Benz, R.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 853–854; doi:

data_2106027
_publ_section_title
;
 Ce2 O2 Sb, Ce2 O2 Bi crystal structure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              853
_journal_page_last               854
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Ce2 O2 Te'
_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                   4.0705
_cell_length_b                   4.0705
_cell_length_c                   12.904
_cell_volume                     213.806
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Benz_ACBCAR_1971_1808.cif
_cod_data_source_block           Ce2O2Te1
_cod_original_formula_sum        'Ce2 O2 Te1'
_cod_database_code               2106027
The crystal structures of thallium(I) fluoride
Berastegui, P.; Hull, S.; Journal of Solid State Chemistry 150 (2000) 266–275; doi:

data_1520823
_publ_section_title
;
 The crystal structures of thallium(I) fluoride
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              266
_journal_page_last               275
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'F Tl'
_chemical_name_systematic        'Tl F'
_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                   6.09556
_cell_length_b                   5.4886
_cell_length_c                   5.183
_cell_volume                     173.403
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Berastegui_JSSCBI_2000_1793.cif
_cod_data_source_block           F1Tl1
_cod_original_cell_volume        173.4029
_cod_original_formula_sum        'F1 Tl1'
_cod_database_code               1520823
Kristallstruktur und thermische Analyse von Hydroxylammoniumhexafluorotitanat(IV) - dihydrat und Hydroxyalammoniumhexafluoroindat(III)
Ban, I.; Kristl, M.; Volavsek, B.; Golic, L.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 130 (1999) 401–408; doi:

data_1520824
_publ_section_title
;
 Kristallstruktur und thermische Analyse von
 Hydroxylammoniumhexafluorotitanat(IV) - dihydrat und
 Hydroxyalammoniumhexafluoroindat(III)
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              401
_journal_page_last               408
_journal_volume                  130
_journal_year                    1999
_chemical_formula_sum            'F6 H12 In N3 O3'
_chemical_name_systematic        '(N H3 O H)3 (In F6)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'P 3* -2n'
_symmetry_space_group_name_H-M   'R 3 c :R'
_cell_angle_alpha                97.21
_cell_angle_beta                 97.21
_cell_angle_gamma                97.21
_cell_formula_units_Z            2
_cell_length_a                   7.764
_cell_length_b                   7.764
_cell_length_c                   7.764
_cell_volume                     455.871
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Ban_MOCMB7_1999_492.cif
_cod_data_source_block           H12F6In1N3O3
_cod_original_cell_volume        455.8708
_cod_original_sg_symbol_Hall     'R 3 -2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H12 F6 In1 N3 O3'
_cod_database_code               1520824
The crystal structures of thallium(I) fluoride
Berastegui, P.; Hull, S.; Journal of Solid State Chemistry 150 (2000) 266–275; doi:

data_1520825
_publ_section_title
;
 The crystal structures of thallium(I) fluoride
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              266
_journal_page_last               275
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'F Tl'
_chemical_name_systematic        'Tl F'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.78283
_cell_length_b                   3.78283
_cell_length_c                   6.12312
_cell_volume                     87.621
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Berastegui_JSSCBI_2000_1794.cif
_cod_data_source_block           F1Tl1
_cod_original_cell_volume        87.62064
_cod_original_formula_sum        'F1 Tl1'
_cod_database_code               1520825
Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals
Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H.; Journal of Molecular Structure 516 (2000) 185–202; doi:

data_1520826
_publ_section_title
;
 Structure, phase transition and vibrational spectra of the Na H5 (P O4)2
 and Na D5 (P O4)2 crystals
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              185
_journal_page_last               202
_journal_volume                  516
_journal_year                    2000
_chemical_formula_sum            'H5 Na O8 P2'
_chemical_name_systematic        '(Na H2 P O4) (H3 P O4)'
_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                 90.58
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.464
_cell_length_b                   7.817
_cell_length_c                   10.337
_cell_volume                     683.893
_citation_journal_id_ASTM        JMOSB4
_cod_data_source_file            Baran_JMOSB4_2000_1575.cif
_cod_data_source_block           H5Na1O8P2
_cod_original_cell_volume        683.8928
_cod_original_formula_sum        'H5 Na1 O8 P2'
_cod_database_code               1520826