LMucko/crystallography-open-database huggingface dataset:
Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
Weil, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921–927; doi:

data_1536383
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cd H2 Hg O6 Se'
_chemical_name_systematic        '(Cd (Se O4)) (Hg (O H)2)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.45
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.54
_cell_length_b                   9.012
_cell_length_c                   6.133
_cell_volume                     572.890
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1276.cif
_cod_data_source_block           H2Cd1Hg1O6Se1
_cod_original_cell_volume        572.8896
_cod_original_formula_sum        'H2 Cd1 Hg1 O6 Se1'
_cod_database_code               1536383
Structure of low temperature (170 K) phase and piezoelectric properties of cesium tetrachloromercurate.
Pakhomov, V.I.; Goryunov, A.V.; Gladkii, V.V.; Kallaev, S.N.; Ivanova-Korfini, I.N.; Zhurnal Neorganicheskoi Khimii 37 (1992) 1447–1454; doi:

data_1536384
_publ_section_title
;
 Structure of low temperature (170 K) phase and piezoelectric properties
 of cesium tetrachloromercurate.
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1447
_journal_page_last               1454
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'Cl4 Cs2 Hg'
_chemical_name_systematic        'Cs2 (Hg Cl4)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.97
_cell_angle_beta                 90.1
_cell_angle_gamma                90.11
_cell_formula_units_Z            8
_cell_length_a                   7.519
_cell_length_b                   9.722
_cell_length_c                   26.759
_cell_volume                     1956.069
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1992_1270.cif
_cod_data_source_block           Cl4Cs2Hg1
_cod_original_formula_sum        'Cl4 Cs2 Hg1'
_cod_database_code               1536384
Quaternary phosphide oxides Pr3 Cu4 P4 O2-x and Sm3 Cu4 P4 O2-x with ordered Zr3 Cu4 Si6 - type structure
Kaiser, J.W.; Jeitschko, W.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 57 (2002) 165–170; doi:

data_7222681
_publ_section_title
;
 Quaternary phosphide oxides Pr3 Cu4 P4 O2-x and Sm3 Cu4 P4 O2-x with
 ordered Zr3 Cu4 Si6 - type structure
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              165
_journal_page_last               170
_journal_volume                  57
_journal_year                    2002
_chemical_formula_sum            'Cu4 O1.54 P4 Sm3'
_chemical_name_systematic        'Sm3 Cu4 P4 O1.54'
_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                   3.928
_cell_length_b                   3.928
_cell_length_c                   26.436
_cell_volume                     407.886
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Kaiser_ZNBSEN_2002_438.cif
_cod_data_source_block           Cu4O1.54P4Sm3
_cod_original_cell_volume        407.8859
_cod_database_code               7222681
Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M= Co, Zn, Cd; X = S, Se)
Weil, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921–927; doi:

data_1536385
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M= Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Co2 H2 Hg2 O11 S2'
_chemical_name_systematic        '(Co (S O4))2 (Hg O)2 (H2 O)'
_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                   6.1297
_cell_length_b                   11.268
_cell_length_c                   12.9668
_cell_volume                     895.610
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1277.cif
_cod_data_source_block           H2Co2Hg2O11S2
_cod_original_cell_volume        895.6099
_cod_original_formula_sum        'H2 Co2 Hg2 O11 S2'
_cod_database_code               1536385
On the nature of complex formation of some inorganic halogenides
Pakhomov, V.I.; Goryunov, A.V.; Zhurnal Neorganicheskoi Khimii 38 (1993) 1501–1508; doi:

data_1536386
_publ_section_title
;
 On the nature of complex formation of some inorganic halogenides
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1501
_journal_page_last               1508
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Cl3 Cs Hg'
_chemical_name_systematic        'Cs Hg Cl3'
_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                 109.52
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.287
_cell_length_b                   15.222
_cell_length_c                   9.339
_cell_volume                     1244.344
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1993_1379.cif
_cod_data_source_block           Cl3Cs1Hg1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl3 Cs1 Hg1'
_cod_database_code               1536386
The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)
Derakhshan, S.; Dashjav, E.; Kleinke, H.; European Journal of Inorganic Chemistry 2004 (2004) 1183–1189; doi:

data_4031616
_publ_section_title
;
 The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q
 (M = Ti, V; Q = P, As)
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'As Hf0.84 Ti1.16'
_chemical_name_systematic        'Hf0.84 Ti1.16 As'
_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                   6.8427
_cell_length_b                   3.6134
_cell_length_c                   8.3222
_cell_volume                     205.770
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Derakhshan_EJICFO_2004_1108.cif
_cod_data_source_block           As1Hf0.84Ti1.16
_cod_original_cell_volume        205.7698
_cod_original_formula_sum        'As1 Hf0.84 Ti1.16'
_cod_database_code               4031616
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.; Chemistry - A European Journal 7 (2001) 5343–5349; doi:

data_1536387
_publ_section_title
;
 New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5343
_journal_page_last               5349
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'In4 La Ni'
_chemical_name_systematic        'La Ni In4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.482
_cell_length_b                   16.895
_cell_length_c                   7.221
_cell_volume                     546.799
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Kalichak_CEUJED_2001_132.cif
_cod_data_source_block           In4La1Ni1
_cod_original_cell_volume        546.7986
_cod_original_formula_sum        'In4 La1 Ni1'
_cod_database_code               1536387
Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
Weil, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921–927; doi:

data_1536388
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'H2 Hg2 O11 S2 Zn2'
_chemical_name_systematic        '(Zn (S O4))2 (Hg O)2 (H2 O)'
_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                   6.1323
_cell_length_b                   11.2609
_cell_length_c                   12.9574
_cell_volume                     894.776
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1278.cif
_cod_data_source_block           H2Hg2O11S2Zn2
_cod_original_cell_volume        894.7761
_cod_database_code               1536388
On the structure of alpha-Si O2 crystals doped with Fe3+
Pakhomov, V.I.; Goryunov, A.V.; Pakhomov, P.V.; Chibiskova, N.T.; Zhurnal Neorganicheskoi Khimii 38 (1993) 44–50; doi:

data_1536389
_publ_section_title
;
 On the structure of alpha-Si O2 crystals doped with Fe3+
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              44
_journal_page_last               50
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.916
_cell_length_b                   4.917
_cell_length_c                   5.407
_cell_volume                     113.188
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1993_1447.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        113.1877
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               1536389
The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)
Derakhshan, S.; Dashjav, E.; Kleinke, H.; European Journal of Inorganic Chemistry 2004 (2004) 1183–1189; doi:

data_4031617
_publ_section_title
;
 The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q
 (M = Ti, V; Q = P, As)
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'As Hf0.97 V1.03'
_chemical_name_systematic        'Hf0.97 V1.03 As'
_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                   6.741
_cell_length_b                   3.5888
_cell_length_c                   8.0733
_cell_volume                     195.310
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Derakhshan_EJICFO_2004_1109.cif
_cod_data_source_block           As1Hf0.97V1.03
_cod_original_cell_volume        195.3101
_cod_original_formula_sum        'As1 Hf0.97 V1.03'
_cod_database_code               4031617
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.; Chemistry - A European Journal 7 (2001) 5343–5349; doi:

data_1536390
_publ_section_title
;
 New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              5343
_journal_page_last               5349
_journal_volume                  7
_journal_year                    2001
_chemical_formula_sum            'In5.64 La Ni7.36'
_chemical_name_systematic        'La Ni7.36 In5.64'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.066
_cell_length_b                   9.248
_cell_length_c                   12.465
_cell_volume                     929.819
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Kalichak_CEUJED_2001_133.cif
_cod_data_source_block           In5.64La1Ni7.36
_cod_original_cell_volume        929.8188
_cod_original_formula_sum        'In5.64 La1 Ni7.36'
_cod_database_code               1536390
Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
Weil, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921–927; doi:

data_1536391
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'H2 Hg2 O11 Se2 Zn2'
_chemical_name_systematic        '(Zn (Se O4))2 (Hg O)2 (H2 O)'
_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                   6.1967
_cell_length_b                   11.4481
_cell_length_c                   13.3628
_cell_volume                     947.963
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1279.cif
_cod_data_source_block           H2Hg2O11Se2Zn2
_cod_database_code               1536391
Crystal structure of Cs Hg5 Cl11
Pakhomov, V.I.; Goryunov, A.V.; Zhurnal Neorganicheskoi Khimii 39 (1994) 550–551; doi:

data_1536392
_publ_section_title
;
 Crystal structure of Cs Hg5 Cl11
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              550
_journal_page_last               551
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'Cl11 Cs Hg5'
_chemical_name_systematic        'Cs Hg5 Cl11'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.93
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.879
_cell_length_b                   14.269
_cell_length_c                   6.668
_cell_volume                     979.502
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pakhomov_ZNOKAQ_1994_1398.cif
_cod_data_source_block           Cl11Cs1Hg5
_cod_original_cell_volume        979.5025
_cod_original_formula_sum        'Cl11 Cs1 Hg5'
_cod_database_code               1536392
The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)
Derakhshan, S.; Dashjav, E.; Kleinke, H.; European Journal of Inorganic Chemistry 2004 (2004) 1183–1189; doi:

data_4031618
_publ_section_title
;
 The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q
 (M = Ti, V; Q = P, As)
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'As Hf0.92 V1.08'
_chemical_name_systematic        'Hf0.92 V1.08 As'
_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                   6.6973
_cell_length_b                   3.5706
_cell_length_c                   8.0208
_cell_volume                     191.804
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Derakhshan_EJICFO_2004_1110.cif
_cod_data_source_block           As1Hf0.92V1.08
_cod_original_cell_volume        191.8044
_cod_original_formula_sum        'As1 Hf0.92 V1.08'
_cod_database_code               4031618
Crystal structure of europium nickel diindide, EuNiIn2.
Kal'ichak, Ya.M.; Stepien-Damm, J.; Galadzhun, Ya.V.; Zeitschrift fuer Kristallographie - New Crystal Structures 212 (1997) 292–292; doi:

data_8104089
_publ_section_title
;
 Crystal structure of europium nickel diindide, EuNiIn2.
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              292
_journal_page_last               292
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Eu In2 Ni'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.39
_cell_length_b                   10.644
_cell_length_c                   7.673
_cell_volume                     358.537
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Kalichak_ZKNSFT_1997_1961.cif
_cod_data_source_block           Eu1In2Ni1
_cod_original_cell_volume        358.5375
_cod_original_formula_sum        'Eu1 In2 Ni1'
_cod_database_code               8104089
Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
Weil, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921–927; doi:

data_1536393
_publ_section_title
;
 Preparation and crystal structure analyses of compounds in the systems Hg
 O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              921
_journal_page_last               927
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'H2 Hg2 O9 Se2 Zn2'
_chemical_name_systematic        '(Zn Se O3) (Zn Se O4) Hg2 (O H)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.154
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.342
_cell_length_b                   6.1939
_cell_length_c                   4.4713
_cell_volume                     480.281
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weil_ZAACAB_2004_1280.cif
_cod_data_source_block           H2Hg2O9Se2Zn2
_cod_original_cell_volume        480.2812
_cod_database_code               1536393
Synthesis, characterization and structural data of an ammonium manganomolybdate type Sigma(X)
Palacio, L.A.; Echavarria, A.; Hoyos, D.A.; Saldarriaga, C.; Solid State Sciences 7 (2005) 1043–1048; doi:

data_1536394
_publ_section_title
;
 Synthesis, characterization and structural data of an ammonium
 manganomolybdate type Sigma(X)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1043
_journal_page_last               1048
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'H7 Mn2 Mo2 N O10'
_chemical_name_systematic        '(N H4) (Mn2 Mo2 O8 (O H) (H2 O))'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.3839
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7575
_cell_length_b                   6.75649
_cell_length_c                   7.96884
_cell_volume                     474.637
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Palacio_SSSCFJ_2005_1148.cif
_cod_data_source_block           H7Mn2Mo2N1O10
_cod_original_cell_volume        474.6371
_cod_original_formula_sum        'H7 Mn2 Mo2 N1 O10'
_cod_database_code               1536394
The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)
Derakhshan, S.; Dashjav, E.; Kleinke, H.; European Journal of Inorganic Chemistry 2004 (2004) 1183–1189; doi:

data_4031619
_publ_section_title
;
 The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q
 (M = Ti, V; Q = P, As)
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'As Hf0.61 Ti1.39'
_chemical_name_systematic        'Hf0.61 Ti1.39 As'
_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                   6.8051
_cell_length_b                   3.6041
_cell_length_c                   8.293
_cell_volume                     203.396
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Derakhshan_EJICFO_2004_1111.cif
_cod_data_source_block           As1Hf0.61Ti1.39
_cod_original_cell_volume        203.3963
_cod_original_formula_sum        'As1 Hf0.61 Ti1.39'
_cod_database_code               4031619