LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
Paul-Boncour, V.; Bouree-Vigneron, F.; Filipek, S.M.; Marchuk, I.; Percheron-Guegan, A.; Jacob, I.; Journal of Alloys Compd. 356 (2003) 69–72; doi:

data_1532067
_publ_section_title
;
 Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               72
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D2.66 Fe2 Zr'
_chemical_name_systematic        'Zr Fe2 D2.66'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.562
_cell_length_b                   7.562
_cell_length_c                   7.562
_cell_volume                     432.424
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1443.cif
_cod_data_source_block           D2.66Fe2Zr1
_cod_original_cell_volume        432.4242
_cod_original_formula_sum        'D2.66 Fe2 Zr1'
_cod_database_code               1532067
A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures
Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.; Boletin de la Sociedad Chilena de Quimica 46 (2001) 235–245; doi:

data_1532068
_publ_section_title
;
 A family of new compounds derived from chalcopyrite. Common patterns in
 their electronic and crystal structures
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Cu Fe Na S2'
_chemical_name_systematic        'Na Cu Fe S2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.863
_cell_length_b                   3.863
_cell_length_c                   6.873
_cell_volume                     88.823
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Ramirez_BOCQAX_2001_127.cif
_cod_data_source_block           Cu1Fe1Na1S2
_cod_original_cell_volume        88.8232
_cod_original_formula_sum        'Cu1 Fe1 Na1 S2'
_cod_database_code               1532068
Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
Paul-Boncour, V.; Filipek, S.M.; Bouree-Vigneron, F.; Marchuk, I.; Jacob, I.; Percheron-Guegan, A.; Journal of Alloys Compd. 356 (2003) 69–72; doi:

data_1532069
_publ_section_title
;
 Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               72
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Co2 Zr'
_chemical_name_systematic        'Zr Co2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.933
_cell_length_b                   6.933
_cell_length_c                   6.933
_cell_volume                     333.245
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1444.cif
_cod_data_source_block           Co2Zr1
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Co2 Zr1'
_cod_database_code               1532069
Crystal structure and phase relations of Ni13+x Aly Si9-y
Richter, K.W.; Journal of Alloys Compd. 338 (2002) 43–50; doi:

data_1532070
_publ_section_title
;
 Crystal structure and phase relations of Ni13+x Aly Si9-y
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  338
_journal_year                    2002
_chemical_formula_sum            'Al0.9 Ni12.54 Si8.1'
_chemical_name_systematic        'Ni12.54 Al0.9 Si8.1'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.653
_cell_length_b                   7.653
_cell_length_c                   14.665
_cell_volume                     743.834
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Richter_JALCEU_2002_480.cif
_cod_data_source_block           Al0.9Ni12.54Si8.1
_cod_original_cell_volume        743.8342
_cod_database_code               1532070
A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures
Ramirez, R.; Mujica, C.; Llanos, J.; Buljan, A.; Boletin de la Sociedad Chilena de Quimica 46 (2001) 235–245; doi:

data_1532071
_publ_section_title
;
 A family of new compounds derived from chalcopyrite. Common patterns in
 their electronic and crystal structures
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Cu Fe K S2'
_chemical_name_systematic        'K Cu Fe S2'
_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                   3.837
_cell_length_b                   3.837
_cell_length_c                   13.384
_cell_volume                     197.047
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Ramirez_BOCQAX_2001_128.cif
_cod_data_source_block           Cu1Fe1K1S2
_cod_original_cell_volume        197.0468
_cod_original_formula_sum        'Cu1 Fe1 K1 S2'
_cod_database_code               1532071
Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
Paul-Boncour, V.; Bouree-Vigneron, F.; Filipek, S.M.; Jacob, I.; Percheron-Guegan, A.; Marchuk, I.; Journal of Alloys Compd. 356 (2003) 69–72; doi:

data_1532072
_publ_section_title
;
 Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               72
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Co2 D1.65 Zr'
_chemical_name_systematic        'Zr Co2 D1.65'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.191
_cell_length_b                   7.191
_cell_length_c                   7.191
_cell_volume                     371.850
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1445.cif
_cod_data_source_block           D1.65Co2Zr1
_cod_original_cell_volume        371.8501
_cod_original_formula_sum        'D1.65 Co2 Zr1'
_cod_database_code               1532072
Site and oxidation-state specificity yielding dimensional control in perovskite ruthenates
Rijssenbeek, J.T.; Malo, S.; Caignaert, V.; Poeppelmeier, K.R.; Journal of the American Chemical Society 124 (2002) 2090–2091; doi:

data_4124513
_publ_section_title
;
 Site and oxidation-state specificity yielding dimensional control in
 perovskite ruthenates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2090
_journal_page_last               2091
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'Ca O9 Ru2 Sr3'
_chemical_name_systematic        'Sr3 Ca (Ru2 O9)'
_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                 125
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.154
_cell_length_b                   5.6891
_cell_length_c                   9.8627
_cell_volume                     788.441
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Rijssenbeek_JACSAT_2002_330.cif
_cod_data_source_block           Ca1O9Ru2Sr3
_cod_original_cell_volume        788.4412
_cod_original_formula_sum        'Ca1 O9 Ru2 Sr3'
_cod_database_code               4124513
A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures
Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.; Boletin de la Sociedad Chilena de Quimica 46 (2001) 235–245; doi:

data_1532073
_publ_section_title
;
 A family of new compounds derived from chalcopyrite. Common patterns in
 their electronic and crystal structures
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Cs Cu Fe S2'
_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                   3.942
_cell_length_b                   3.942
_cell_length_c                   14.238
_cell_volume                     221.249
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Ramirez_BOCQAX_2001_129.cif
_cod_data_source_block           Cs1Cu1Fe1S2
_cod_original_cell_volume        221.2495
_cod_original_formula_sum        'Cs1 Cu1 Fe1 S2'
_cod_database_code               1532073
Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
Paul-Boncour, V.; Bouree-Vigneron, F.; Jacob, I.; Marchuk, I.; Filipek, S.M.; Percheron-Guegan, A.; Journal of Alloys Compd. 356 (2003) 69–72; doi:

data_1532074
_publ_section_title
;
 Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               72
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'Co2 D2.03 Zr'
_chemical_name_systematic        'Zr Co2 D2.03'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            64
_cell_length_a                   14.385
_cell_length_b                   14.385
_cell_length_c                   14.385
_cell_volume                     2976.663
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1446.cif
_cod_data_source_block           D2.03Co2Zr1
_cod_original_formula_sum        'D2.03 Co2 Zr1'
_cod_database_code               1532074
The Crystal Structure of Hydrated and Dehydrated Thallium-Exchanged Zeolite A
Riley, P.E.; Seff, K.; Journal of Physical Chemistry 76 (1972) 2593–2597; doi:

data_1532075
_publ_section_title
;
 The Crystal Structure of Hydrated and Dehydrated Thallium-Exchanged
 Zeolite A
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2593
_journal_page_last               2597
_journal_volume                  76
_journal_year                    1972
_chemical_formula_sum            'Al11 O48 Si13 Tl11'
_chemical_name_systematic        'Tl11 Al11 Si13 O48'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.17
_cell_length_b                   12.17
_cell_length_c                   12.17
_cell_volume                     1802.485
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Riley_JPCHAX_1972_161.cif
_cod_data_source_block           Al11O48Si13Tl11
_cod_database_code               1532075
A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures
Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.; Boletin de la Sociedad Chilena de Quimica 46 (2001) 235–245; doi:

data_1532076
_publ_section_title
;
 A family of new compounds derived from chalcopyrite. Common patterns in
 their electronic and crystal structures
;
_journal_name_full               'Boletin de la Sociedad Chilena de Quimica'
_journal_page_first              235
_journal_page_last               245
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Ba6 Cu12 Fe13 S27'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.379
_cell_length_b                   10.379
_cell_length_c                   10.379
_cell_volume                     1118.064
_citation_journal_id_ASTM        BOCQAX
_cod_data_source_file            Ramirez_BOCQAX_2001_130.cif
_cod_data_source_block           Ba6Cu12Fe13S27
_cod_database_code               1532076
Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment
Pauwels, D.; Demourgues, A.; Guillen, F.; Laronze, H.; Gravereau, P.; Tressaud, A.; Isnard, O.; Solid State Sciences 4 (2002) 1471–1479; doi:

data_1532077
_publ_section_title
;
 Structural features of new rare earth-based mixed anions (O, S, F)
 compounds: relationships between optical absorption and rare earth
 environment
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1471
_journal_page_last               1479
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ce3 F3 O S2'
_chemical_name_systematic        'Ce3 O F3 S2'
_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_formula_units_Z            4
_cell_length_a                   5.743
_cell_length_b                   5.725
_cell_length_c                   19.391
_cell_volume                     637.550
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Pauwels_SSSCFJ_2002_902.cif
_cod_data_source_block           Ce3F3O1S2
_cod_original_cell_volume        637.5504
_cod_original_formula_sum        'Ce3 F3 O1 S2'
_cod_database_code               1532077
Average structure of cubic lazurite with a three-dimensional incommensurate modulation
Rastsvetaeva, R.K.; Chapuis, G.; Sapozhnikov, A.N.; Bolotina, N.B.; Kashaev, A.A.; Schoenleber, A.; Kristallografiya 47 (2002) 449–452; doi:

data_1532078
_publ_section_title
;
 Average structure of cubic lazurite with a three-dimensional
 incommensurate modulation
;
_journal_name_full               Kristallografiya
_journal_page_first              449
_journal_page_last               452
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Al6 Ca1.66 Na6.34 O27.52 S2.14 Si6'
_chemical_name_systematic
'Na6.34 Ca1.66 (Al6 Si6 O24) ((S O4)0.88 S1.26)'
_space_group_IT_number           195
_symmetry_space_group_name_Hall  'P 2 2 3'
_symmetry_space_group_name_H-M   'P 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.077
_cell_length_b                   9.077
_cell_length_c                   9.077
_cell_volume                     747.872
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rastsvetaeva_KRISAJ_2002_732.cif
_cod_data_source_block           Al6Ca1.66Na6.34O27.52S2.14Si6
_cod_original_cell_volume        747.8715
_cod_database_code               1532078
Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment
Pauwels, D.; Demourgues, A.; Isnard, O.; Tressaud, A.; Laronze, H.; Guillen, F.; Gravereau, P.; Solid State Sciences 4 (2002) 1471–1479; doi:

data_1532079
_publ_section_title
;
 Structural features of new rare earth-based mixed anions (O, S, F)
 compounds: relationships between optical absorption and rare earth
 environment
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1471
_journal_page_last               1479
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'F3 La3 O S2'
_chemical_name_systematic        'La3 O F3 S2'
_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_formula_units_Z            4
_cell_length_a                   5.804
_cell_length_b                   5.784
_cell_length_c                   19.482
_cell_volume                     654.017
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Pauwels_SSSCFJ_2002_903.cif
_cod_data_source_block           F3La3O1S2
_cod_original_cell_volume        654.0173
_cod_original_formula_sum        'F3 La3 O1 S2'
_cod_database_code               1532079
Structure de Cu2 Mn3 O8
Riou, A.; Lecerf, A.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1896–1900; doi:

data_2106773
_publ_section_title
;
 Structure de Cu2 Mn3 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1896
_journal_page_last               1900
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Cu2 Mn3 O8'
_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                 103.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.695
_cell_length_b                   5.635
_cell_length_c                   4.912
_cell_volume                     261.098
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Riou_ACBCAR_1977_1972.cif
_cod_data_source_block           Cu2Mn3O8
_cod_original_cell_volume        261.0977
_cod_database_code               2106773
Bis(carbonyl)diborane(4)
Rathke, J.W.; Schaeffer, R.; Inorganic Chemistry 13 (1974) 760–761; doi:

data_4344138
_publ_section_title
;
 Bis(carbonyl)diborane(4)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              760
_journal_page_last               761
_journal_volume                  13
_journal_year                    1974
_chemical_formula_sum            'C2 H4 B2 O2'
_chemical_name_systematic        'B2 H4 (C O)2'
_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                 98.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.82
_cell_length_b                   4.437
_cell_length_c                   10.41
_cell_volume                     494.444
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Rathke_INOCAJ_1974_845.cif
_cod_data_source_block           C2H4B2O2
_cod_original_cell_volume        494.4436
_cod_database_code               4344138
Structural features of new rare earth-based mixed anions (O, S, F) compounds: relationships between optical absorption and rare earth environment
Pauwels, D.; Laronze, H.; Demourgues, A.; Gravereau, P.; Guillen, F.; Isnard, O.; Tressaud, A.; Solid State Sciences 4 (2002) 1471–1479; doi:

data_1532080
_publ_section_title
;
 Structural features of new rare earth-based mixed anions (O, S, F)
 compounds: relationships between optical absorption and rare earth
 environment
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1471
_journal_page_last               1479
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'F La2 O1.5 S'
_chemical_name_systematic        'La2 O1.5 F S'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.111
_cell_length_b                   4.111
_cell_length_c                   6.917
_cell_volume                     101.238
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Pauwels_SSSCFJ_2002_904.cif
_cod_data_source_block           F1La2O1.5S1
_cod_original_formula_sum        'F1 La2 O1.5 S1'
_cod_database_code               1532080
Structure, microstructure and magneto-transport properties of Pr1-x Bx Co O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials
Rivas-Murias, B.; Fondado, A.; Sanchez-Andujar, M.; Rivas, J.; Senaris Rodriguez, M.A.; Mira, J.; New Trends in Intercalation Compounds for energy Storage 61 (2002) 577–584; doi:

data_1532081
_publ_section_title
;
 Structure, microstructure and magneto-transport properties of Pr1-x Bx Co
 O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials
;
_journal_name_full
'New Trends in Intercalation Compounds for energy Storage'
_journal_page_first              577
_journal_page_last               584
_journal_volume                  61
_journal_year                    2002
_chemical_formula_sum            'Ba0.1 Co O3 Pr0.9'
_chemical_name_systematic        '(Pr0.9 Ba0.1) Co O3'
_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                   5.37037
_cell_length_b                   7.61239
_cell_length_c                   5.40997
_cell_volume                     221.167
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