LMucko/crystallography-open-database huggingface dataset:
Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer sur Fe Co2 B et Co3 B dopes au ^57^Fe
Fruchart, D; Chaudouet, P; Fruchart, R; Rouault, A; Senateur, J P; Journal of Solid State Chemistry 51 (1984) 246–252; doi:10.1016/0022-4596(84)90340-2

data_1008725
_publ_section_title
;
Etudes structurales de composes de type cementite: effet de l'hydrogene
sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer
sur Fe Co2 B et Co3 B dopes au ^57^Fe
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              246
_journal_page_last               252
_journal_paper_doi               10.1016/0022-4596(84)90340-2
_journal_volume                  51
_journal_year                    1984
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe3 C'
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_chemical_name_systematic        'Iron carbide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   5.092
_cell_length_b                   6.741
_cell_length_c                   4.527
_cell_volume                     155.4
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               1008725
_database_code_amcsd 0013522
Structure cristalline de la Chalconatronite synthetique. Na2 Cu (C O3)2 (H2 O)3
Mosset, A; Bonnet, J J; Galy, J; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 148 (1978) 165–177; doi:

data_1008726
_publ_section_title
;
Structure cristalline de la Chalconatronite synthetique. Na2 Cu (C O3)2
(H2 O)3
;
_journal_coden_ASTM              ZKKKAJ
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              165
_journal_page_last               177
_journal_volume                  148
_journal_year                    1978
_chemical_compound_source        synthetic
_chemical_formula_structural     'Na2 Cu (C O3)2 (H2 O)3'
_chemical_formula_sum            'C2 H6 Cu Na2 O9'
_chemical_name_mineral           Chalconatronite
_chemical_name_systematic        'Disodium copper(II) carbonate trihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 91.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.696(2)
_cell_length_b                   6.101(2)
_cell_length_c                   13.779(3)
_cell_volume                     814.7
_exptl_crystal_density_meas      2.29(2)
_refine_ls_R_factor_all          0.042
_cod_original_formula_sum        'H6 Cu Na2 O9'
_cod_database_code               1008726
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3
Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L; Advanced Materials Research 1 (1994) 177–188; doi:

data_1008727
_publ_section_title
;
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3
and D0.5 Cu(I)0.5 Zr2 (P O4)3
;
_journal_coden_ASTM              AMREFI
_journal_name_full               'Advanced Materials Research'
_journal_page_first              177
_journal_page_last               188
_journal_volume                  1
_journal_year                    1994
_chemical_formula_structural     'Cu0.5 Ti2 (P O4)3'
_chemical_formula_sum            'Cu0.5 O12 P3 Ti2'
_chemical_name_systematic        'Copper titanium phosphate(V) (0.5/2/3) - HT'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_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                   8.46(1)
_cell_length_b                   8.46(1)
_cell_length_c                   21.879990000(39999996)
_cell_volume                     1356.2
_refine_ls_R_factor_all          0.062
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_original_formula_sum        'Cu.5 O12 P3 Ti2'
_cod_database_code               1008727
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3
Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L; Advanced Materials Research 1 (1994) 177–188; doi:

data_1008728
_publ_section_title
;
The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3
and D0.5 Cu(I)0.5 Zr2 (P O4)3
;
_journal_coden_ASTM              AMREFI
_journal_name_full               'Advanced Materials Research'
_journal_page_first              177
_journal_page_last               188
_journal_volume                  1
_journal_year                    1994
_chemical_formula_structural     'D0.36 Cu0.516 Zr2 (P O4)3'
_chemical_formula_sum            'Cu0.516 D0.36 O12 P3 Zr2'
_chemical_name_systematic
;
Deuterium copper zirconium phosphate(V) (0.36/0.52/2/3)
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_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                   8.84(1)
_cell_length_b                   8.84(1)
_cell_length_c                   22.31(4)
_cell_volume                     1509.9
_refine_ls_R_factor_all          0.045
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_original_formula_sum        'D.36 Cu.516 O12 P3 Zr2'
_cod_database_code               1008728
Ca Na2 P4 O12, a new compound in the Ca (P O3)2 - Na P O3 system
Averbuch-Pouchot, M T; European Journal of Solid State Inorganic Chemistry 33 (1996) 15–18; doi:

data_1008729
_publ_section_title
;
Ca Na2 P4 O12, a new compound in the Ca (P O3)2 - Na P O3 system
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              15
_journal_page_last               18
_journal_volume                  33
_journal_year                    1996
_chemical_formula_structural     'Ca Na2 (P O3)4'
_chemical_formula_sum            'Ca Na2 O12 P4'
_chemical_name_systematic        'Calcium disodium tetrakis(phosphate(V))'
_space_group_IT_number           125
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2b'
_symmetry_space_group_name_H-M   'P 4/n b m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.568(4)
_cell_length_b                   9.568(4)
_cell_length_c                   4.909(2)
_cell_volume                     449.4
_refine_ls_R_factor_all          0.036
_cod_original_sg_symbol_H-M      'P 4/n b m Z'
_cod_database_code               1008729
Preparation and crystal structure of an acidic long-chain polyphosphate: Ca H2 (P O3)4
Averbuch-Pouchot, M T; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 506–509; doi:10.1002/zaac.19956210330

data_1008730
_publ_section_title
;
Preparation and crystal structure of an acidic long-chain
polyphosphate: Ca H2 (P O3)4
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              506
_journal_page_last               509
_journal_paper_doi               10.1002/zaac.19956210330
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Ca H2 (P O3)4'
_chemical_formula_sum            'Ca H2 O12 P4'
_chemical_name_systematic        'Calcium dihydrogen tetrakis(phosphate(V))'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 92.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.686(1)
_cell_length_b                   9.676(4)
_cell_length_c                   8.844(3)
_cell_volume                     486.2
_refine_ls_R_factor_all          0.017
_cod_original_formula_sum        'H2 Ca O12 P4'
_cod_database_code               1008730
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008731
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Na (Sn2 As2)'
_chemical_formula_sum            'As2 Na Sn2'
_chemical_name_systematic        'Sodium diarsenidodistannate'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.006(2)
_cell_length_b                   4.006(2)
_cell_length_c                   27.58099(500)
_cell_volume                     383.3
_refine_ls_R_factor_all          0.036
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008731
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008732
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Na0.3 Ca0.7 (Sn2 As2)'
_chemical_formula_sum            'As2 Ca0.7 Na0.3 Sn2'
_chemical_name_systematic
;
Sodium calcium diarsenidodistannate (0.3/0.7/1)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.101(2)
_cell_length_b                   4.101(2)
_cell_length_c                   26.48599(500)
_cell_volume                     385.8
_refine_ls_R_factor_all          0.039
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'As2 Ca.7 Na.3 Sn2'
_cod_database_code               1008732
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008733
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Na0.4 Sr0.6 (Sn2 As2)'
_chemical_formula_sum            'As2 Na0.4 Sn2 Sr0.6'
_chemical_name_systematic
;
Sodium strontium diarsenidodistannate (0.4/0.6/1)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.117(2)
_cell_length_b                   4.117(2)
_cell_length_c                   27.185(6)
_cell_volume                     399.0
_refine_ls_R_factor_all          0.041
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'As2 Na.4 Sn2 Sr.6'
_cod_database_code               1008733
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008734
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'K0.3 Sr0.7 (Sn2 As2)'
_chemical_formula_sum            'As2 K0.3 Sn2 Sr0.7'
_chemical_name_systematic
;
Potassium strontium diarsenidodistannate (0.3/0.7/1)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.176(2)
_cell_length_b                   4.176(2)
_cell_length_c                   27.146(5)
_cell_volume                     410.0
_refine_ls_R_factor_all          0.046
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'As2 K.3 Sn2 Sr.7'
_cod_database_code               1008734
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
Asbrand, M; Eisenmann, B; Klein, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 576–582; doi:10.1002/zaac.19956210415

data_1008735
_publ_section_title
;
Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung
und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2
As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              576
_journal_page_last               582
_journal_paper_doi               10.1002/zaac.19956210415
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Sr (Sn2 As2)'
_chemical_formula_sum            'As2 Sn2 Sr'
_chemical_name_systematic        'Strontium diarsenidodistannate'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.204(1)
_cell_length_b                   4.204(1)
_cell_length_c                   26.726(5)
_cell_volume                     409.1
_refine_ls_R_factor_all          0.027
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1008735
Occurrence of a monoclinic distortion in β-Fe~2~PO~5~
Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C.; Acta Crystallographica, Section B: Structural Science 52 (1996) 428–431; doi:10.1107/s0108768195014273

data_1008736
_publ_section_title
;
 Occurrence of a monoclinic distortion in \b-Fe~2~PO~5~
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              428
_journal_page_last               431
_journal_paper_doi               10.1107/s0108768195014273
_journal_volume                  52
_journal_year                    1996
_chemical_formula_structural     'Fe2 (P O5)'
_chemical_formula_sum            'Fe2 O5 P'
_chemical_name_systematic        'Iron iron(III) phosphate(V) - \b'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.368(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2956(7)
_cell_length_b                   7.5605(7)
_cell_length_c                   7.2512(7)
_cell_volume                     355.2
_refine_ls_R_factor_all          0.052
_cod_database_code               1008736
X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases
Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L; Journal of Alloys Compd. 244 (1996) 11–15; doi:10.1016/S0925-8388(96)02427-9

data_1008737
_publ_section_title
;
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              11
_journal_page_last               15
_journal_paper_doi               10.1016/S0925-8388(96)02427-9
_journal_volume                  244
_journal_year                    1996
_chemical_formula_structural     'D0.41 Nb Se2'
_chemical_formula_sum            'D0.41 Nb Se2'
_chemical_name_systematic        'Deuterium niobium selenide (0.41/1/2)'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.4347(1)
_cell_length_b                   3.4347(1)
_cell_length_c                   12.9735(3)
_cell_volume                     132.5
_refine_ls_R_factor_all          0.059
_cod_original_formula_sum        'D.41 Nb Se2'
_cod_database_code               1008737
X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases
Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L; Journal of Alloys Compd. 244 (1996) 11–15; doi:10.1016/S0925-8388(96)02427-9

data_1008738
_publ_section_title
;
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              11
_journal_page_last               15
_journal_paper_doi               10.1016/S0925-8388(96)02427-9
_journal_volume                  244
_journal_year                    1996
_chemical_formula_analytical     'D0.41 Nb Se2'
_chemical_formula_structural     'D0.62 Nb Se2'
_chemical_formula_sum            'D0.62 Nb Se2'
_chemical_name_systematic        'Deuterium niobium selenide (0.62/1/2)'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.4329(6)
_cell_length_b                   3.4329(6)
_cell_length_c                   12.965(3)
_cell_volume                     132.3
_refine_ls_R_factor_all          0.039
_cod_original_formula_sum        'D.62 Nb Se2'
_cod_database_code               1008738
X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases
Kulikov, L M; Semjonov-Kobzar, A A; Antonova, M M; Chechovsky, A A; Akselrud, L G; Skolozdra, R V; Fruchart, D; Soubeyroux, J L; Journal of Alloys Compd. 244 (1996) 11–15; doi:10.1016/S0925-8388(96)02427-9

data_1008739
_publ_section_title
;
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              11
_journal_page_last               15
_journal_paper_doi               10.1016/S0925-8388(96)02427-9
_journal_volume                  244
_journal_year                    1996
_chemical_formula_structural     'D0.49 Nb Se2'
_chemical_formula_sum            'D0.49 Nb Se2'
_chemical_name_systematic        'Deuterium niobium selenide (0.49/1/2)'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.4362(1)
_cell_length_b                   3.4362(1)
_cell_length_c                   12.9635(4)
_cell_volume                     132.6
_refine_ls_R_factor_all          0.066
_cod_original_formula_sum        'D.49 Nb Se2'
_cod_database_code               1008739