LMucko/crystallography-open-database huggingface dataset:
Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Single crystal X-ray from integrated Weissenberg film
Holseth, H.; Kjekshus, A.; Acta Chemica Scandinavica 23 (1969) 3043–3050; doi:10.3891/acta.chem.scand.23-3043

data_9012544
_publ_section_title
;
 Compounds with the marcasite type crystal structure
 IV. The crystal structure of FeSb2
 Note: Single crystal X-ray from integrated Weissenberg film
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3043
_journal_page_last               3050
_journal_paper_doi               10.3891/acta.chem.scand.23-3043
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Sb2'
_chemical_name_mineral           Seinajokite
_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_length_a                   5.8328
_cell_length_b                   6.5376
_cell_length_c                   3.1973
_cell_formula_units_Z            2
_cell_volume                     121.921
_database_code_amcsd             0011923
_exptl_crystal_density_diffrn    8.154
_cod_database_code               9012544
Compounds with the marcasite type crystal structure IV. The crystal structure of FeSb2 Note: Single crystal X-ray from integrated Weissenberg film
Holseth, H.; Kjekshus, A.; Acta Chemica Scandinavica 23 (1969) 3043–3050; doi:10.3891/acta.chem.scand.23-3043

data_9012545
_publ_section_title
;
 Compounds with the marcasite type crystal structure
 IV. The crystal structure of FeSb2
 Note: Single crystal X-ray from integrated Weissenberg film
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3043
_journal_page_last               3050
_journal_paper_doi               10.3891/acta.chem.scand.23-3043
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8328
_cell_length_b                   6.5376
_cell_length_c                   3.1973
_cell_formula_units_Z            2
_cell_volume                     121.921
_database_code_amcsd             0011924
_exptl_crystal_density_diffrn    8.154
_cod_database_code               9012545
The crystal structure of alpha-Bi2O3
Malmros, G.; Acta Chemica Scandinavica 24 (1970) 384–396; doi:10.3891/acta.chem.scand.24-0384

data_9012546
_publ_section_title
;
 The crystal structure of alpha-Bi2O3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              384
_journal_page_last               396
_journal_paper_doi               10.3891/acta.chem.scand.24-0384
_journal_volume                  24
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 O3'
_chemical_name_mineral           Bismite
_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                 113.00
_cell_angle_gamma                90
_cell_length_a                   5.8486
_cell_length_b                   8.1661
_cell_length_c                   7.5097
_cell_formula_units_Z            4
_cell_volume                     330.153
_database_code_amcsd             0011925
_exptl_crystal_density_diffrn    9.374
_cod_database_code               9012546
The crystal structure of NaHSO4H2O
Grimvall, S.; Acta Chemica Scandinavica 25 (1971) 3213–3219; doi:10.3891/acta.chem.scand.25-3213

data_9012547
_publ_section_title
;
 The crystal structure of NaHSO4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3213
_journal_page_last               3219
_journal_paper_doi               10.3891/acta.chem.scand.25-3213
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'H3 Na O5 S'
_chemical_name_mineral           Matteuccite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.95
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.799
_cell_length_b                   7.790
_cell_length_c                   8.230
_cell_volume                     433.237
_database_code_amcsd             0011929
_exptl_crystal_density_diffrn    2.117
_cod_depositor_comments
;
    Z inserted to be consisten with given formula
    Oxygen water renamed so that they are recognized as oxygens
                             miguel
;
_cod_original_formula_sum        'Na S O5 H3'
_cod_database_code               9012547
Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3
Christensen, N.; Acta Chemica Scandinavica 27 (1973) 2973–2982; doi:10.3891/acta.chem.scand.27-2973

data_9012548
_publ_section_title
;Hydrothermal preparation of rare earth hydroxycarbonates. The crystal
 structure of NdOHCO3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.3891/acta.chem.scand.27-2973
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'C H Nd O4'
_chemical_name_mineral           Hydroxyl-bastnasite-(Nd)
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.32
_cell_length_b                   12.32
_cell_length_c                   9.88
_cell_volume                     1298.700
_exptl_crystal_density_diffrn    5.092
_cod_original_formula_sum        'Nd (O4 C) H'
_cod_database_code               9012548
Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3
Christensen, N.; Acta Chemica Scandinavica 27 (1973) 2973–2982; doi:10.3891/acta.chem.scand.27-2973

data_9012549
_publ_section_title
;Hydrothermal preparation of rare earth hydroxycarbonates. The crystal
 structure of NdOHCO3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.3891/acta.chem.scand.27-2973
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'C H Nd O4'
_chemical_name_mineral           Hydroxylbastnasite-(Nd)
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.32
_cell_length_b                   12.32
_cell_length_c                   9.88
_cell_volume                     1298.700
_database_code_amcsd             0011933
_exptl_crystal_density_diffrn    5.092
_cod_original_formula_sum        'Nd (O4 C) H'
_cod_database_code               9012549
_cod_duplicate_entry 9012548
Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
Kjekshus, A.; Rakke, T.; Andresen, A.; Acta Chemica Scandinavica A 28 (1974) 996–1000; doi:

data_9012550
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Fe'
_chemical_name_mineral           Lollingite
_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_length_a                   5.3012
_cell_length_b                   5.9858
_cell_length_c                   2.8822
_cell_formula_units_Z            2
_cell_volume                     91.458
_database_code_amcsd             0011935
_exptl_crystal_density_diffrn    7.469
_cod_original_formula_sum        'Fe As2'
_cod_database_code               9012550
Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
Kjekshus, A.; Rakke, T.; Andresen, A.; Acta Chemica Scandinavica A 28 (1974) 996–1000; doi:

data_9012551
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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_length_a                   4.8002
_cell_length_b                   5.7823
_cell_length_c                   3.5834
_cell_formula_units_Z            2
_cell_volume                     99.462
_database_code_amcsd             0011936
_exptl_crystal_density_diffrn    7.138
_cod_database_code               9012551
Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
Kjekshus, A.; Rakke, T.; Andresen, A.; Acta Chemica Scandinavica A 28 (1974) 996–1000; doi:

data_9012552
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Ni'
_chemical_name_mineral           Rammelsbergite
_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_length_a                   4.7582
_cell_length_b                   5.7949
_cell_length_c                   3.5440
_cell_formula_units_Z            2
_cell_volume                     97.720
_database_code_amcsd             0011937
_exptl_crystal_density_diffrn    7.087
_cod_original_formula_sum        'Ni As2'
_cod_database_code               9012552
Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
Kjekshus, A.; Rakke, T.; Andresen, A.; Acta Chemica Scandinavica A 28 (1974) 996–1000; doi:

data_9012553
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Sb2'
_chemical_name_mineral           Nisbite
_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_length_a                   5.1823
_cell_length_b                   6.3168
_cell_length_c                   3.8403
_cell_formula_units_Z            2
_cell_volume                     125.714
_database_code_amcsd             0011938
_exptl_crystal_density_diffrn    7.983
_cod_database_code               9012553
Compounds of the marcasite type crystal structure. IX. Structural data for FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
Kjekshus, A.; Rakke, T.; Andresen, A.; Acta Chemica Scandinavica A 28 (1974) 996–1000; doi:

data_9012554
_publ_section_title
;
 Compounds of the marcasite type crystal structure. IX. Structural data for
 FeAs2, FeSe2, NiAs2, NiSb2, and CuSe2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu Se2'
_chemical_name_mineral           Krutaite
_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_length_a                   5.0226
_cell_length_b                   6.1957
_cell_length_c                   3.7468
_cell_formula_units_Z            2
_cell_volume                     116.595
_database_code_amcsd             0011939
_exptl_crystal_density_diffrn    6.308
_cod_database_code               9012554
_amcsd_formula_title             CuSe2
On the MnP type structure of RuSb and RhSb
Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 249–252; doi:

data_9012555
_publ_section_title
;
 On the MnP type structure of RuSb and RhSb
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              249
_journal_page_last               252
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     RhSb
_chemical_formula_sum            'Rh Sb'
_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_length_a                   5.9718
_cell_length_b                   3.8621
_cell_length_c                   6.3242
_cell_formula_units_Z            4
_cell_volume                     145.859
_database_code_amcsd             0011940
_exptl_crystal_density_diffrn    10.230
_cod_duplicate_entry             9009911
_cod_database_code               9012555
On the MnP type structure of RuSb and RhSb
Endresen, K.; Furuseth, S.; Selte, K.; Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 249–252; doi:

data_9012556
_publ_section_title
;
 On the MnP type structure of RuSb and RhSb
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              249
_journal_page_last               252
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     RuSb
_chemical_formula_sum            'Ru Sb'
_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_length_a                   5.9608
_cell_length_b                   3.7023
_cell_length_c                   6.5797
_cell_formula_units_Z            4
_cell_volume                     145.205
_database_code_amcsd             0011941
_exptl_crystal_density_diffrn    10.193
_cod_duplicate_entry             9009912
_cod_database_code               9012556
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012557
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     RuP2
_chemical_formula_sum            'P2 Ru'
_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_length_a                   5.1169
_cell_length_b                   5.8915
_cell_length_c                   2.8709
_cell_formula_units_Z            2
_cell_volume                     86.547
_database_code_amcsd             0011942
_exptl_crystal_density_diffrn    6.256
_cod_duplicate_entry             9009913
_cod_original_formula_sum        'Ru P2'
_cod_database_code               9012557
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012558
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'As2 Ru'
_chemical_name_mineral           Anduoite
_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_length_a                   5.4279
_cell_length_b                   6.1834
_cell_length_c                   2.9685
_cell_formula_units_Z            2
_cell_volume                     99.631
_exptl_crystal_density_diffrn    8.364
_cod_original_formula_sum        'Ru As2'
_cod_database_code               9012558
_cod_duplicate_entry 9009914
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012559
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     RuSb2
_chemical_formula_sum            'Ru Sb2'
_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_length_a                   5.9514
_cell_length_b                   6.6743
_cell_length_c                   3.1790
_cell_formula_units_Z            2
_cell_volume                     126.274
_database_code_amcsd             0011944
_exptl_crystal_density_diffrn    9.062
_cod_duplicate_entry             9009915
_cod_database_code               9012559
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012560
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     OsP2
_chemical_formula_sum            'Os P2'
_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_length_a                   5.1012
_cell_length_b                   5.9022
_cell_length_c                   2.9183
_cell_formula_units_Z            2
_cell_volume                     87.865
_database_code_amcsd             0011945
_exptl_crystal_density_diffrn    9.531
_cod_duplicate_entry             9009916
_cod_database_code               9012560
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012561
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'As2 Os'
_chemical_name_mineral           Omeiite
_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_length_a                   5.4115
_cell_length_b                   6.1900
_cell_length_c                   3.0127
_cell_formula_units_Z            2
_cell_volume                     100.917
_exptl_crystal_density_diffrn    11.190
_cod_original_formula_sum        'Os As2'
_cod_database_code               9012561
_cod_duplicate_entry 9009917
Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
Kjekshus, A.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 31 (1977) 253–259; doi:

data_9012562
_publ_section_title
;Compounds with the marcasite type crystal structure. XII. Structural data for
 RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              253
_journal_page_last               259
_journal_volume                  31
_journal_year                    1977
_chemical_formula_structural     OsSb2
_chemical_formula_sum            'Os Sb2'
_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_length_a                   5.9411
_cell_length_b                   6.6873
_cell_length_c                   3.2109
_cell_formula_units_Z            2
_cell_volume                     127.569
_database_code_amcsd             0011947
_exptl_crystal_density_diffrn    11.291
_cod_duplicate_entry             9009918
_cod_database_code               9012562