LMucko/crystallography-open-database huggingface dataset:
Investigation of ammonium sites in proton conducting N H4 Ta W O6/ N D4 Ta W O6 ceramics by neutron powder diffraction
Kuntz, M.; Tomandl, G.; Hoser, A.; Solid State Ionics 25 (1987) 121–130; doi:

data_1530228
_publ_section_title
;
 Investigation of ammonium sites in proton conducting N H4 Ta W O6/ N D4
 Ta W O6 ceramics by neutron powder diffraction
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              121
_journal_page_last               130
_journal_volume                  25
_journal_year                    1987
_chemical_formula_sum            'D4 N O6 Ta W'
_chemical_name_systematic        '(N D4) Ta W O6'
_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                   10.3507
_cell_length_b                   10.3507
_cell_length_c                   10.3507
_cell_volume                     1108.943
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Kuntz_SSIOD3_1987_1544.cif
_cod_data_source_block           D4N1O6Ta1W1
_cod_original_formula_sum        'D4 N1 O6 Ta1 W1'
_cod_database_code               1530228
Crystalline structure of seamanit Mn3 (P O4/B O3) (H2 O)3 = Mn3 (P O3 O H) (B O (O H)3) (O H)2
Kurkutova, E.N.; Rau, V.G.; Rumanova, I.M.; Doklady Akademii Nauk SSSR 197 (1971) 1070–1073; doi:

data_1530229
_publ_section_title
;
 Crystalline structure of seamanit Mn3 (P O4/B O3) (H2 O)3 = Mn3 (P O3 O
 H) (B O (O H)3) (O H)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1070
_journal_page_last               1073
_journal_volume                  197
_journal_year                    1971
_chemical_formula_sum            'B H6 Mn3 O10 P'
_chemical_name_systematic        'Mn3 (B O (O H)3) (H P O4) (O H)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.86
_cell_length_b                   14.83
_cell_length_c                   6.7
_cell_volume                     780.977
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kurkutova_DANKAS_1971_371.cif
_cod_data_source_block           H6B1Mn3O10P1
_cod_original_cell_volume        780.9774
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H6 B1 Mn3 O10 P1'
_cod_database_code               1530229
The crystal structure of La Ta O4
Kurova, T.A.; Aleksandrov, V.B.; Doklady Akademii Nauk SSSR 201 (1971) 1095–1098; doi:

data_1530230
_publ_section_title
;
 The crystal structure of La Ta O4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1095
_journal_page_last               1098
_journal_volume                  201
_journal_year                    1971
_chemical_formula_sum            'La O4 Ta'
_chemical_name_systematic        'La (Ta O4)'
_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                 101.516
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.651
_cell_length_b                   5.577
_cell_length_c                   7.823
_cell_volume                     327.085
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Kurova_DANKAS_1971_363.cif
_cod_data_source_block           La1O4Ta1
_cod_original_cell_volume        327.0847
_cod_original_formula_sum        'La1 O4 Ta1'
_cod_database_code               1530230
Experimental investigation of electron density distribution in tetrakis-carbamide scandium(III) trinitrate from X-Ray diffraction data
Kuskov, V.I.; Treushnikov, E.N.; Belov, N.V.; Kristallografiya 23 (1978) 1196–1205; doi:

data_1530231
_publ_section_title
;
 Experimental investigation of electron density distribution in
 tetrakis-carbamide scandium(III) trinitrate from X-Ray diffraction data
;
_journal_name_full               Kristallografiya
_journal_page_first              1196
_journal_page_last               1205
_journal_volume                  23
_journal_year                    1978
_chemical_formula_sum            'C4 H16 N11 O13 Sc'
_chemical_name_systematic        '(Sc (C O (N H2)2)4) (N O3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.57
_cell_angle_beta                 96.21
_cell_angle_gamma                111.43
_cell_formula_units_Z            2
_cell_length_a                   11.722
_cell_length_b                   11.146
_cell_length_c                   7.484
_cell_volume                     899.377
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kuskov_KRISAJ_1978_408.cif
_cod_data_source_block           C4H16N11O13Sc1
_cod_original_cell_volume        899.3772
_cod_original_formula_sum        'C4 H16 N11 O13 Sc1'
_cod_database_code               1530231
The crystal structure of the compound Mn Ni1.55 Si0.45
Kuz'ma, Yu.B.; Cherkashin, E.E.; Dopovidi Akademii Nauk Ukrains'koi RSR 1960 (1960) 1413–1416; doi:

data_1530232
_publ_section_title
;
 The crystal structure of the compound Mn Ni1.55 Si0.45
;
_journal_name_full               'Dopovidi Akademii Nauk Ukrains'koi RSR'
_journal_page_first              1413
_journal_page_last               1416
_journal_volume                  1960
_journal_year                    1960
_chemical_formula_sum            'Mn Ni1.55 Si0.45'
_chemical_name_systematic        'Mn (Ni1.55 Si0.45)'
_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                   6.686
_cell_length_b                   6.686
_cell_length_c                   6.686
_cell_volume                     298.882
_citation_journal_id_ASTM        DUKRA4
_cod_data_source_file            Kuzma_DUKRA4_1960_1514.cif
_cod_data_source_block           Mn1Ni1.55Si0.45
_cod_original_cell_volume        298.8815
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Mn1 Ni1.55 Si0.45'
_cod_database_code               1530232
The crystal structure of the compound Fe2 Al B2
Kuz'ma, Yu.B.; Chaban, N.F.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 5 (1969) 384–385; doi:

data_1530233
_publ_section_title
;
 The crystal structure of the compound Fe2 Al B2
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              384
_journal_page_last               385
_journal_volume                  5
_journal_year                    1969
_chemical_formula_sum            'Al B2 Fe2'
_chemical_name_systematic        'Al Fe2 B2'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.923
_cell_length_b                   11.046
_cell_length_c                   2.875
_cell_volume                     92.826
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Kuzma_IVNMAW_1969_1945.cif
_cod_data_source_block           Al1B2Fe2
_cod_original_cell_volume        92.82644
_cod_original_formula_sum        'Al1 B2 Fe2'
_cod_database_code               1530233
The structure of crystals of potassium tetrasulfatoniobate K3 Nb (S O4)4
Kuznetsov, V.Ya.; Rogachev, D.L.; Dikareva, L.M.; Porai-Koshits, M.A.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 20 (1979) 672–677; doi:

data_1530234
_publ_section_title
;
 The structure of crystals of potassium tetrasulfatoniobate K3 Nb (S O4)4
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              672
_journal_page_last               677
_journal_volume                  20
_journal_year                    1979
_chemical_formula_sum            'K3 Nb O16 S4'
_chemical_name_systematic        'K3 Nb (S O4)4'
_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                   8.078
_cell_length_b                   12.63
_cell_length_c                   14.71
_cell_volume                     1500.790
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Kuznetsov_ZSTKAI_1979_688.cif
_cod_data_source_block           K3Nb1O16S4
_cod_original_cell_volume        1500.79
_cod_original_formula_sum        'K3 Nb1 O16 S4'
_cod_database_code               1530234
Structure of the double fluoride and metaniobate of potassium K F (K Nb O3)4. Four types of coordination of the light atoms in the structure
Kuznetsov, V.Ya.; Rogachev, D.L.; Sadikov, G.G.; Dikareva, L.M.; Porai-Koshits, M.A.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 21 (1980) 142–147; doi:

data_1530235
_publ_section_title
;
 Structure of the double fluoride and metaniobate of potassium K F (K Nb
 O3)4. Four types of coordination of the light atoms in the structure
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              142
_journal_page_last               147
_journal_volume                  21
_journal_year                    1980
_chemical_formula_sum            'F K5 Nb4 O12'
_chemical_name_systematic        'K5 (Nb O3)4 F'
_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                 92.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.1061
_cell_length_b                   11.817
_cell_length_c                   11.867
_cell_volume                     715.072
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Kuznetsov_ZSTKAI_1980_694.cif
_cod_data_source_block           F1K5Nb4O12
_cod_original_cell_volume        715.0721
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'F1 K5 Nb4 O12'
_cod_database_code               1530235
The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at 100, 60, and 20 K and ab initio theoretical calculations
Kvick, A.; McMullan, R.K.; Newton, M.D.; Journal of Chemical Physics 76 (1982) 3754–3761; doi:

data_1530236
_publ_section_title
;
 The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at
 100, 60, and 20 K and ab initio theoretical calculations
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3754
_journal_page_last               3761
_journal_volume                  76
_journal_year                    1982
_chemical_formula_sum            'N2 O4'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   7.6937
_cell_length_b                   7.6937
_cell_length_c                   7.6937
_cell_volume                     455.413
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Kvick_JCPSA6_1982_770.cif
_cod_data_source_block           N2O4
_cod_original_cell_volume        455.4133
_cod_database_code               1530236
Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K
Kvick, A.; Abrahams, S.C.; Liminga, R.; Journal of Chemical Physics 76 (1982) 5508–5514; doi:

data_1530237
_publ_section_title
;
 Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at
 298, 102, and 20 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              5508
_journal_page_last               5514
_journal_volume                  76
_journal_year                    1982
_chemical_formula_sum            'Ba H2 N2 O5'
_chemical_name_systematic        'Ba (N O2)2 (H2 O)'
_space_group_IT_number           170
_symmetry_space_group_name_Hall  'P 65'
_symmetry_space_group_name_H-M   'P 65'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.0749
_cell_length_b                   7.0749
_cell_length_c                   17.8909
_cell_volume                     775.539
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Kvick_JCPSA6_1982_984.cif
_cod_data_source_block           H2Ba1N2O5
_cod_original_cell_volume        775.5386
_cod_original_formula_sum        'H2 Ba1 N2 O5'
_cod_database_code               1530237
Preparation and crystal structure of K2 Sb P O6
Lachgar, A.; Deniard-Courant, S.; Piffard, Y.; Journal of Solid State Chemistry 63 (1986) 409–413; doi:

data_1530238
_publ_section_title
;
 Preparation and crystal structure of K2 Sb P O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              409
_journal_page_last               413
_journal_volume                  63
_journal_year                    1986
_chemical_formula_sum            'K2 O6 P Sb'
_chemical_name_systematic        'K2 (Sb P O6)'
_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                   9.429
_cell_length_b                   5.891
_cell_length_c                   11.03
_cell_volume                     612.675
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lachgar_JSSCBI_1986_1160.cif
_cod_data_source_block           K2O6P1Sb1
_cod_original_formula_sum        'K2 O6 P1 Sb1'
_cod_database_code               1530238
Adsorption and structural studies of water in the layered compounds K3 Sb3 M2 O14 * x(H2 O) (M = P, As)
Lachgar, A.; Deniard-Courant, S.; Piffard, Y.; Journal of Solid State Chemistry 73 (1988) 572–576; doi:

data_1530239
_publ_section_title
;
 Adsorption and structural studies of water in the layered compounds K3
 Sb3 M2 O14 * x(H2 O) (M = P, As)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              572
_journal_page_last               576
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H2.64 K3 O15.32 P2 Sb3'
_chemical_name_systematic        'K3 (Sb3 P2 O14) (H2 O)1.32'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.147
_cell_length_b                   7.147
_cell_length_c                   30.936
_cell_volume                     1368.492
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lachgar_JSSCBI_1988_1612.cif
_cod_data_source_block           H2.64K3O15.32P2Sb3
_cod_database_code               1530239
Neutron poeder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4
Lager, G.A.; Armbruster, T.; Rotella, F.J.; Ross, F.K.; Jorgensen, J.D.; Journal of Applied Crystallography 14 (1981) 261–264; doi:

data_2300525
_publ_section_title
;
 Neutron poeder diffraction study of defect spinel structures:
 Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74
 Si0.05 O4
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              261
_journal_page_last               264
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'Ni2.62 O4 Ti0.69'
_chemical_name_systematic        'Ni2.62 Ti0.69 O4'
_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                   8.3416
_cell_length_b                   8.3416
_cell_length_c                   8.3416
_cell_volume                     580.428
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Lager_JACGAR_1981_740.cif
_cod_data_source_block           Ni2.62O4Ti0.69
_cod_original_cell_volume        580.4277
_cod_database_code               2300525
Neutron powder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4
Lager, G.A.; Rotella, F.J.; Ross, F.K.; Armbruster, T.; Jorgensen, J.D.; Journal of Applied Crystallography 14 (1981) 261–264; doi:

data_2300526
_publ_section_title
;
 Neutron powder diffraction study of defect spinel structures:
 Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74
 Si0.05 O4
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              261
_journal_page_last               264
_journal_volume                  14
_journal_year                    1981
_chemical_formula_sum            'Ni2.42 O4 Si0.05 Ti0.65'
_chemical_name_systematic        'Ni2.42 Ti0.74 Si0.05 O4'
_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                   8.3222
_cell_length_b                   8.3222
_cell_length_c                   8.3222
_cell_volume                     576.387
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Lager_JACGAR_1981_741.cif
_cod_data_source_block           Ni2.42O4Si0.05Ti0.65
_cod_original_cell_volume        576.3873
_cod_database_code               2300526
Examen radiocristallographique du compose d'insertion de premier stade Rb C8
Lagrange, P.; Guerard, D.; Makrini, M.E.; Herold, A.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 287 (1978) 179–182; doi:

data_1530240
_publ_section_title
;
 Examen radiocristallographique du compose d'insertion de premier stade Rb
 C8
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              179
_journal_page_last               182
_journal_volume                  287
_journal_year                    1978
_chemical_formula_sum            'C8 Rb'
_chemical_name_systematic        'Rb C8'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.926
_cell_length_b                   8.532
_cell_length_c                   22.471
_cell_volume                     944.425
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Lagrange_CHDCAQ_1978_436.cif
_cod_data_source_block           C8Rb1
_cod_original_cell_volume        944.4254
_cod_original_sg_symbol_Hall     '-F 2uv 2vw (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'C8 Rb1'
_cod_database_code               1530240
The X-Ray crystal structure of an eight co-ordinate cyanide complex of niobium, K4 Nb (C N)8 (H2 O)2
Laing, M.; Kiernan, P.M.; Gafner, G.; Griffith, W.P.; Inorganica Chimica Acta 33 (1979) 119–119; doi:

data_1530241
_publ_section_title
;
 The X-Ray crystal structure of an eight co-ordinate cyanide complex of
 niobium, K4 Nb (C N)8 (H2 O)2
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119
_journal_page_last               119
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'C8 H4 K4 N8 Nb O2'
_chemical_name_systematic        'K4 Nb (C N)8 (H2 O)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.899
_cell_length_b                   8.821
_cell_length_c                   11.754
_cell_volume                     1752.123
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Laing_ICHAA3_1979_376.cif
_cod_data_source_block           C8H4K4N8Nb1O2
_cod_original_formula_sum        'C8 H4 K4 N8 Nb1 O2'
_cod_database_code               1530241
Thermodynamic, structural and magnetic properties of La Ni5-x Fex hydrides
Lamloumi, J.; Percheron-Guegan, A.; Lartigue, C.; Achard, J.C.; Jehanno, G.; Journal of the Less-Common Metals 130 (1987) 111–122; doi:

data_1530242
_publ_section_title
;
 Thermodynamic, structural and magnetic properties of La Ni5-x Fex
 hydrides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              111
_journal_page_last               122
_journal_volume                  130
_journal_year                    1987
_chemical_formula_sum            'D5.1 Fe La Ni4'
_chemical_name_systematic        'La Ni4 Fe D5.1'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.376
_cell_length_b                   5.376
_cell_length_c                   4.21
_cell_volume                     105.373
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