LMucko/crystallography-open-database huggingface dataset:
A comparison of profile decomposition and Rietveld methods for structural refinement with powder diffraction data
Taylor, J. C.; Zeitschrift für Kristallographie 181 (1987) 151–160; doi:10.1524/zkri.1987.181.14.151

data_8103973
_publ_section_title
;
 A comparison of profile decomposition and Rietveld methods for
 structural refinement with powder diffraction data
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full               'Zeitschrift f\"ur Kristallographie'
_journal_page_first              151
_journal_page_last               160
_journal_paper_doi               10.1524/zkri.1987.181.14.151
_journal_volume                  181
_journal_year                    1987
_chemical_formula_sum            'I4 U'
_chemical_name_systematic        'U I4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2917
_cell_length_b                   6.0234
_cell_length_c                   4.9059
_cell_volume                     304.109
_cod_data_source_file            Taylor_ZEKRDZ_1987_1672.cif
_cod_data_source_block           I4U1
_cod_original_cell_volume        304.1093
_cod_original_formula_sum        'I4 U1'
_cod_database_code               8103973
The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92
Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 68–74; doi:

data_1535369
_publ_section_title
;
 The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x=
 0.73 and the cementite structure with x= 0.92
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               74
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'In2.75 Ir Mg0.25'
_chemical_name_systematic        'Mg0.25 Ir In2.75'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.996
_cell_length_b                   6.996
_cell_length_c                   7.162
_cell_volume                     350.537
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hlukhyy_ZAACAB_2004_1070.cif
_cod_data_source_block           In2.75Ir1Mg0.25
_cod_original_formula_sum        'In2.75 Ir1 Mg0.25'
_cod_database_code               1535369
Hydrothermal synthesis and characterization of new one-dimensional tellurates, A2 [Te3 O8 (O H)4] (A = Cs, Rb, K, Na)
Minimol, M.P.; Vidyasagar, K.; Indian Journal of Chemistry 42 (2003) 2244–2249; doi:

data_1535370
_publ_section_title
;
 Hydrothermal synthesis and characterization of new one-dimensional
 tellurates, A2 [Te3 O8 (O H)4] (A = Cs, Rb, K, Na)
;
_journal_name_full               'Indian Journal of Chemistry'
_journal_page_first              2244
_journal_page_last               2249
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'H4 K2 O12 Te3'
_chemical_name_systematic        'K2 (Te3 O8 (O H)4)'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.844
_cell_length_b                   21.752
_cell_length_c                   6.495
_cell_volume                     2097.149
_citation_journal_id_ASTM        IJOCAP
_cod_data_source_file            Minimol_IJOCAP_2003_1404.cif
_cod_data_source_block           H4K2O12Te3
_cod_database_code               1535370
Preparation of acyclic and heterocyclic tellurathianitrogen compounds: contributions to a better understanding of complex reaction pathways
Boese, R.; Haas, A.; Olteanu, A.; Hoppmann, E.; Merz, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 673–680; doi:

data_1535371
_publ_section_title
;
 Preparation of acyclic and heterocyclic tellurathianitrogen compounds:
 contributions to a better understanding of complex reaction pathways
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              673
_journal_page_last               680
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl9 N3 S4 Te2'
_chemical_name_systematic        '(S4 N3) (Te2 Cl9)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.655
_cell_angle_beta                 69.418
_cell_angle_gamma                74.801
_cell_formula_units_Z            2
_cell_length_a                   9.1385
_cell_length_b                   10.0255
_cell_length_c                   11.0942
_cell_volume                     918.077
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boese_ZAACAB_2002_306.cif
_cod_data_source_block           Cl9N3S4Te2
_cod_original_cell_volume        918.0766
_cod_database_code               1535371
Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co (N H3)6) I3 I4
Tebbe, K. F.; Acta Crystallographica C (39,1983-) 39 (1983) 154–159; doi:

data_2020147
_publ_section_title
;
 Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co
 (N H3)6) I3 I4
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              154
_journal_page_last               159
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Co H18 I7 N6'
_chemical_name_systematic        '(Co (N H3)6) I3 (I2)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                 123.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.712
_cell_length_b                   7.772
_cell_length_c                   9.732
_cell_volume                     993.510
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Tebbe_ACSCEE_1983_175.cif
_cod_data_source_block           H18Co1I7N6
_cod_original_cell_volume        993.5097
_cod_original_formula_sum        'H18 Co1 I7 N6'
_cod_database_code               2020147
The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92
Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 68–74; doi:

data_1535372
_publ_section_title
;
 The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x=
 0.73 and the cementite structure with x= 0.92
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               74
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'In2.38 Ir Mg0.62'
_chemical_name_systematic        'Mg0.62 Ir In2.38'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.997
_cell_length_b                   6.997
_cell_length_c                   7.131
_cell_volume                     349.120
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hlukhyy_ZAACAB_2004_1071.cif
_cod_data_source_block           In2.38Ir1Mg0.62
_cod_original_cell_volume        349.1196
_cod_original_formula_sum        'In2.38 Ir1 Mg0.62'
_cod_database_code               1535372
Protonated sulfuric acid: preparation of trihydroxyoxosulfonium hexafluoroantimonate H(3) S O(4)(+) Sb F(6)(-).
Minkwitz, R.; Seelbinder, R.; Schoebel, R.; Angewandte Chemie (Edition international) 41 (2002) 111–114; doi:

data_1535373
_publ_section_title
;
 Protonated sulfuric acid: preparation of trihydroxyoxosulfonium
 hexafluoroantimonate H(3) S O(4)(+) Sb F(6)(-).
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              111
_journal_page_last               114
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'D3 F6 O4 S Sb'
_chemical_name_systematic        '((D O)3 S O) (Sb F6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.88
_cell_angle_beta                 74.98
_cell_angle_gamma                88.89
_cell_formula_units_Z            2
_cell_length_a                   5.059
_cell_length_b                   7.907
_cell_length_c                   9.639
_cell_volume                     371.844
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Minkwitz_ACIEAY_2002_322.cif
_cod_data_source_block           D3F6O4S1Sb1
_cod_original_cell_volume        371.8441
_cod_original_formula_sum        'D3 F6 O4 S1 Sb1'
_cod_database_code               1535373
Preparation of acyclic and heterocyclic tellurathianitrogen compounds: contributions to a better understanding of complex reaction pathways.
Boese, R.; Haas, A.; Hoppmann, E.; Merz, K.; Olteanu, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 673–680; doi:

data_1535374
_publ_section_title
;
 Preparation of acyclic and heterocyclic tellurathianitrogen compounds:
 contributions to a better understanding of complex reaction pathways.
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              673
_journal_page_last               680
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl5 N3 S2 Te'
_chemical_name_systematic        '(N3 S2) (Te Cl5)'
_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                 101.081
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.976
_cell_length_b                   7.1539
_cell_length_c                   19.62119
_cell_volume                     2200.711
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boese_ZAACAB_2002_307.cif
_cod_data_source_block           Cl5N3S2Te1
_cod_original_formula_sum        'Cl5 N3 S2 Te1'
_cod_database_code               1535374
(P8 O12) * 2(B H3) - The borane adduct of a new molecular phosphorus oxide
Tellenbach, A.; Jansen, M.; European Journal of Inorganic Chemistry 2003 (2003) 3759–3766; doi:

data_4031593
_publ_section_title
;
 (P8 O12) * 2(B H3) - The borane adduct of a new molecular phosphorus
 oxide
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              3759
_journal_page_last               3766
_journal_volume                  2003
_journal_year                    2003
_chemical_formula_sum            'B2 H6 O12 P8'
_chemical_name_systematic        'P8 O12 (B H3)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.606
_cell_length_b                   15.686
_cell_length_c                   22.96
_cell_volume                     3099.456
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Tellenbach_EJICFO_2003_246.cif
_cod_data_source_block           H6B2O12P8
_cod_original_formula_sum        'H6 B2 O12 P8'
_cod_database_code               4031593
The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92
Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 68–74; doi:

data_1535375
_publ_section_title
;
 The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x=
 0.73 and the cementite structure with x= 0.92
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               74
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'In2.37 Ir Mg0.63'
_chemical_name_systematic        'Mg0.63 Ir In2.37'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.997
_cell_length_b                   6.997
_cell_length_c                   7.105
_cell_volume                     347.847
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hlukhyy_ZAACAB_2004_1072.cif
_cod_data_source_block           In2.37Ir1Mg0.63
_cod_original_cell_volume        347.8467
_cod_original_formula_sum        'In2.37 Ir1 Mg0.63'
_cod_database_code               1535375
Protonated trithiocarbonic acid - synthesis, spectroscopic characterization and the crystal structure of C (S H)3+ As F6-
Minkwitz, R.; Neikes, F.; Lohmann, U.; European Journal of Inorganic Chemistry 2002 (2002) 27–30; doi:

data_4031594
_publ_section_title
;
 Protonated trithiocarbonic acid - synthesis, spectroscopic
 characterization and the crystal structure of C (S H)3+ As F6-
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              27
_journal_page_last               30
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'C H3 As F6 S3'
_chemical_name_systematic        '(C (S H)3) (As F6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.74
_cell_angle_beta                 99.04
_cell_angle_gamma                104.35
_cell_formula_units_Z            6
_cell_length_a                   8.008
_cell_length_b                   11.546
_cell_length_c                   14.997
_cell_volume                     1238.153
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Minkwitz_EJICFO_2002_265.cif
_cod_data_source_block           C1H3As1F6S3
_cod_original_formula_sum        'C1 H3 As1 F6 S3'
_cod_database_code               4031594
Crystal structure of dinatriumtetraselenide, Na2 Se4
Boettcher, P.; Roensch, E.; Getzschmann, J.; Zeitschrift fuer Kristallographie - New Crystal Structures 212 (1997) 87–87; doi:

data_8103974
_publ_section_title
;
 Crystal structure of dinatriumtetraselenide, Na2 Se4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              87
_journal_page_last               87
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Na2 Se4'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.1926
_cell_length_b                   10.1926
_cell_length_c                   12.2177
_cell_volume                     1269.286
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Boettcher_ZKNSFT_1997_1965.cif
_cod_data_source_block           Na2Se4
_cod_database_code               8103974
Partielle Substitution von Nickel durch Natrium in Nickel(II)-amid: Isolierte Na4Ni2(NH2)8*4NH3-Einheiten in Natriumtetraamidoniccolat(II)-diammoniakat
Tenten, A.; Jacobs, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 604 (1991) 113–126; doi:

data_1535376
_publ_section_title
;
 Partielle Substitution von Nickel durch Natrium in Nickel(II)-amid:
 Isolierte Na4Ni2(NH2)8*4NH3-Einheiten in
 Natriumtetraamidoniccolat(II)-diammoniakat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               126
_journal_volume                  604
_journal_year                    1991
_chemical_formula_sum            'H14 N6 Na2 Ni'
_chemical_name_systematic        'Na2 (Ni (N H2)4) (N H3)2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.932
_cell_length_b                   8.932
_cell_length_c                   10.984
_cell_volume                     876.310
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Tenten_ZAACAB_1991_20.cif
_cod_data_source_block           H14N6Na2Ni1
_cod_original_cell_volume        876.3104
_cod_original_formula_sum        'H14 N6 Na2 Ni1'
_cod_database_code               1535376
The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92
Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 68–74; doi:

data_1535377
_publ_section_title
;
 The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x=
 0.73 and the cementite structure with x= 0.92
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               74
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'In2.27 Ir Mg0.73'
_chemical_name_systematic        'Mg0.73 Ir In2.27'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.006
_cell_length_b                   7.006
_cell_length_c                   7.091
_cell_volume                     348.055
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hlukhyy_ZAACAB_2004_1074.cif
_cod_data_source_block           In2.27Ir1Mg0.73
_cod_original_cell_volume        348.0549
_cod_original_formula_sum        'In2.27 Ir1 Mg0.73'
_cod_database_code               1535377
Kristallstruktur einer neuen Modifikation von Sb8F30
Minkwitz, R.; Nowicki, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 605 (1991) 109–116; doi:

data_1535378
_publ_section_title
;
 Kristallstruktur einer neuen Modifikation von Sb8F30
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              109
_journal_page_last               116
_journal_volume                  605
_journal_year                    1991
_chemical_formula_sum            'F30 Sb8'
_chemical_name_systematic        '(Sb2 F5) (Sb3 F7) (Sb F6)3'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.157
_cell_length_b                   11.002
_cell_length_c                   19.178
_cell_volume                     2354.086
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Minkwitz_ZAACAB_1991_23.cif
_cod_data_source_block           F30Sb8
_cod_database_code               1535378
Die Kristallstruktur des alpha-Na2 S5
Boettcher, P.; Keller, R.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 39 (1984) 577–581; doi:

data_7222582
_publ_section_title
;
 Die Kristallstruktur des alpha-Na2 S5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              577
_journal_page_last               581
_journal_volume                  39
_journal_year                    1984
_chemical_formula_sum            'Na2 S5'
_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                   7.654
_cell_length_b                   14.51
_cell_length_c                   5.846
_cell_volume                     649.254
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Boettcher_ZNBAD2_1984_633.cif
_cod_data_source_block           Na2S5
_cod_original_cell_volume        649.2541
_cod_database_code               7222582
Ueber Polychalkogenide des Thalliums mit M2 Q11-Baueinheiten I. Darstellung, Eigenschaften, roentgenographische und spektroskopische Untersuchung von Tl4 Nb2 S11 und Tl4 Ta2 S11
Teske, C.L.; Bensch, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 385–389; doi:

data_1535379
_publ_section_title
;
 Ueber Polychalkogenide des Thalliums mit M2 Q11-Baueinheiten I.
 Darstellung, Eigenschaften, roentgenographische und spektroskopische
 Untersuchung von Tl4 Nb2 S11 und Tl4 Ta2 S11
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              385
_journal_page_last               389
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Nb2 S11 Tl4'
_chemical_name_systematic        'Tl4 ((Nb S4)2 S3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.72
_cell_angle_beta                 88.8
_cell_angle_gamma                85.86
_cell_formula_units_Z            2
_cell_length_a                   7.806
_cell_length_b                   8.8662
_cell_length_c                   13.121
_cell_volume                     864.848
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Teske_ZAACAB_2001_29.cif
_cod_data_source_block           Nb2S11Tl4
_cod_original_cell_volume        864.8485
_cod_database_code               1535379