LMucko/crystallography-open-database huggingface dataset:
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction
Garcia-Munoz, J L; Rodriguez-Carvajal, J; Journal of Solid State Chemistry 115 (1995) 324–331; doi:10.1006/jssc.1995.1141

data_1006083
_publ_section_title
;
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              324
_journal_page_last               331
_journal_paper_doi               10.1006/jssc.1995.1141
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Ho2 Cu2 O5'
_chemical_formula_sum            'Cu2 Ho2 O5'
_chemical_name_systematic        'Diholmium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.8096(2)
_cell_length_b                   3.4962(1)
_cell_length_c                   12.4735(2)
_cell_volume                     471.4
_refine_ls_R_factor_all          0.06
_cod_database_code               1006083
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction
Garcia-Munoz, J L; Rodriguez-Carvajal, J; Journal of Solid State Chemistry 115 (1995) 324–331; doi:10.1006/jssc.1995.1141

data_1006084
_publ_section_title
;
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              324
_journal_page_last               331
_journal_paper_doi               10.1006/jssc.1995.1141
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Y2 Cu2 O5'
_chemical_formula_sum            'Cu2 O5 Y2'
_chemical_name_systematic        'Diyttrium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.796(2)
_cell_length_b                   3.494(1)
_cell_length_c                   12.4546(2)
_cell_volume                     469.8
_refine_ls_R_factor_all          0.056
_cod_database_code               1006084
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction
Garcia-Munoz, J L; Rodriguez-Carvajal, J; Journal of Solid State Chemistry 115 (1995) 324–331; doi:10.1006/jssc.1995.1141

data_1006085
_publ_section_title
;
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              324
_journal_page_last               331
_journal_paper_doi               10.1006/jssc.1995.1141
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Er2 Cu2 O5'
_chemical_formula_sum            'Cu2 Er2 O5'
_chemical_name_systematic        'Dierbium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.7839(2)
_cell_length_b                   3.4745(1)
_cell_length_c                   12.4434(3)
_cell_volume                     466.2
_refine_ls_R_factor_all          0.067
_cod_database_code               1006085
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction
Garcia-Munoz, J L; Rodriguez-Carvajal, J; Journal of Solid State Chemistry 115 (1995) 324–331; doi:10.1006/jssc.1995.1141

data_1006086
_publ_section_title
;
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              324
_journal_page_last               331
_journal_paper_doi               10.1006/jssc.1995.1141
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Tm2 Cu2 O5'
_chemical_formula_sum            'Cu2 O5 Tm2'
_chemical_name_systematic        'Dithulium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.7353(1)
_cell_length_b                   3.4575(1)
_cell_length_c                   12.3704(2)
_cell_volume                     459.2
_refine_ls_R_factor_all          0.064
_cod_database_code               1006086
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction
Garcia-Munoz, J L; Rodriguez-Carvajal, J; Journal of Solid State Chemistry 115 (1995) 324–331; doi:10.1006/jssc.1995.1141

data_1006087
_publ_section_title
;
Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides
by neutron diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              324
_journal_page_last               331
_journal_paper_doi               10.1006/jssc.1995.1141
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Yb2 Cu2 O5'
_chemical_formula_sum            'Cu2 O5 Yb2'
_chemical_name_systematic        'Diytterbium dicopper oxide'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.7290(1)
_cell_length_b                   3.4355(1)
_cell_length_c                   12.3531(1)
_cell_volume                     455.3
_refine_ls_R_factor_all          0.042
_cod_database_code               1006087
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H; Journal of Solid State Chemistry 115 (1995) 476–483; doi:10.1006/jssc.1995.1162

data_1006088
_publ_section_title
;
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              476
_journal_page_last               483
_journal_paper_doi               10.1006/jssc.1995.1162
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Cu (Nb2 O6)'
_chemical_formula_sum            'Cu Nb2 O6'
_chemical_name_systematic        'Copper diniobate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.097(6)
_cell_length_b                   5.613(2)
_cell_length_c                   5.123(2)
_cell_volume                     405.4
_refine_ls_R_factor_all          0.03
_cod_database_code               1006088
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H; Journal of Solid State Chemistry 115 (1995) 476–483; doi:10.1006/jssc.1995.1162

data_1006089
_publ_section_title
;
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              476
_journal_page_last               483
_journal_paper_doi               10.1006/jssc.1995.1162
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     '(Cu0.36 Zn0.64) (Nb2 O6)'
_chemical_formula_sum            'Cu0.36 Nb2 O6 Zn0.64'
_chemical_name_systematic        'Copper zinc diniobate (0.36/0.64/1)'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.187(5)
_cell_length_b                   5.730(2)
_cell_length_c                   5.031(2)
_cell_volume                     409.0
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'Cu.36 Nb2 O6 Zn.64'
_cod_database_code               1006089
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H; Journal of Solid State Chemistry 115 (1995) 476–483; doi:10.1006/jssc.1995.1162

data_1006090
_publ_section_title
;
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              476
_journal_page_last               483
_journal_paper_doi               10.1006/jssc.1995.1162
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     'Cu (Nb2 O6)'
_chemical_formula_sum            'Cu Nb2 O6'
_chemical_name_systematic        'Copper diniobate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 91.672(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0064(1)
_cell_length_b                   14.1733(3)
_cell_length_c                   5.7615(1)
_cell_volume                     408.6
_refine_ls_R_factor_all          0.037
_cod_database_code               1006090
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H; Journal of Solid State Chemistry 115 (1995) 476–483; doi:10.1006/jssc.1995.1162

data_1006091
_publ_section_title
;
Structural relations in mixed oxides Cux Zn1-x Nb2 O6
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              476
_journal_page_last               483
_journal_paper_doi               10.1006/jssc.1995.1162
_journal_volume                  115
_journal_year                    1995
_chemical_formula_structural     '(Cu0.85 Zn0.15) Nb2 O6'
_chemical_formula_sum            'Cu0.85 Nb2 O6 Zn0.15'
_chemical_name_systematic        'Copper zinc niobium oxide (0.85/0.15/2/6)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 91.451(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0070(1)
_cell_length_b                   14.1706(2)
_cell_length_c                   5.7547(1)
_cell_volume                     408.2
_refine_ls_R_factor_all          0.041
_cod_original_formula_sum        'Cu.85 Nb2 O6 Zn.15'
_cod_database_code               1006091
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J; Journal of Alloys Compd. 226 (1995) 113–120; doi:10.1016/0925-8388(95)01618-X

data_1006092
_publ_section_title
;
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              113
_journal_page_last               120
_journal_paper_doi               10.1016/0925-8388(95)01618-X
_journal_volume                  226
_journal_year                    1995
_chemical_formula_structural     'Tm Mn6 Ge6'
_chemical_formula_sum            'Ge6 Mn6 Tm'
_chemical_name_systematic        'Thulium manganese germanide (1/6/6)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.2067(3)
_cell_length_b                   5.2067(3)
_cell_length_c                   8.1431(8)
_cell_volume                     191.2
_refine_ls_R_factor_all          0.056
_cod_database_code               1006092
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J; Journal of Alloys Compd. 226 (1995) 113–120; doi:10.1016/0925-8388(95)01618-X

data_1006093
_publ_section_title
;
A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              113
_journal_page_last               120
_journal_paper_doi               10.1016/0925-8388(95)01618-X
_journal_volume                  226
_journal_year                    1995
_chemical_formula_structural     'Tm Mn6 Ge6'
_chemical_formula_sum            'Ge6 Mn6 Tm'
_chemical_name_systematic        'Thulium manganese germanide (1/6/6)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.2110(4)
_cell_length_b                   5.2110(4)
_cell_length_c                   8.1397(10)
_cell_volume                     191.4
_refine_ls_R_factor_all          0.058
_cod_database_code               1006093
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J; Journal of Alloys Compd. 226 (1995) 152–154; doi:10.1016/0925-8388(95)01630-9

data_1006094
_publ_section_title
;
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              152
_journal_page_last               154
_journal_paper_doi               10.1016/0925-8388(95)01630-9
_journal_volume                  226
_journal_year                    1995
_chemical_formula_structural     'Lu Mn6 Ge6'
_chemical_formula_sum            'Ge6 Lu Mn6'
_chemical_name_systematic        'Lutetium manganese germanide (1/6/6)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.1993(7)
_cell_length_b                   5.1993(7)
_cell_length_c                   8.1165(11)
_cell_volume                     190.0
_refine_ls_R_factor_all          0.043
_cod_database_code               1006094
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J; Journal of Alloys Compd. 226 (1995) 152–154; doi:10.1016/0925-8388(95)01630-9

data_1006095
_publ_section_title
;
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              152
_journal_page_last               154
_journal_paper_doi               10.1016/0925-8388(95)01630-9
_journal_volume                  226
_journal_year                    1995
_chemical_formula_structural     'Lu Mn6 Ge6'
_chemical_formula_sum            'Ge6 Lu Mn6'
_chemical_name_systematic        'Lutetium manganese germanide (1/6/6)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.2002(8)
_cell_length_b                   5.2002(8)
_cell_length_c                   8.1169(12)
_cell_volume                     190.1
_refine_ls_R_factor_all          0.039
_cod_database_code               1006095
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J; Journal of Alloys Compd. 226 (1995) 152–154; doi:10.1016/0925-8388(95)01630-9

data_1006096
_publ_section_title
;
A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              152
_journal_page_last               154
_journal_paper_doi               10.1016/0925-8388(95)01630-9
_journal_volume                  226
_journal_year                    1995
_chemical_formula_structural     'Lu Mn6 Ge6'
_chemical_formula_sum            'Ge6 Lu Mn6'
_chemical_name_systematic        'Lutetium manganese germanide (1/6/6)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.2076(9)
_cell_length_b                   5.2076(9)
_cell_length_c                   8.1285(15)
_cell_volume                     190.9
_refine_ls_R_factor_all          0.049
_cod_database_code               1006096
Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction
Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P; Journal of Materials Chemistry 3 (1993) 1171–1177; doi:10.1039/jm9930301171

data_1006097
_publ_section_title
;
Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide
precursors and sol-gel methods, and study of the structure and Cu-Ti
distribution by X-ray and neutron diffraction
;
_journal_coden_ASTM              JMACEP
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1171
_journal_page_last               1177
_journal_paper_doi               10.1039/jm9930301171
_journal_volume                  3
_journal_year                    1993
_chemical_formula_structural     'La2 Cu Ti O6'
_chemical_formula_sum            'Cu La2 O6 Ti'
_chemical_name_systematic        'Dilanthanum copper titanium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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            2
_cell_length_a                   5.6262(6)
_cell_length_b                   7.8396(8)
_cell_length_c                   5.5702(6)
_cell_volume                     245.7
_refine_ls_R_factor_all          0.078
_cod_database_code               1006097
Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)
Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D; Journal of Physics: Condensed Matter 7 (1995) 4725–4738; doi:10.1088/0953-8984/7/24/012

data_1006098
_publ_section_title
;
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2
O)
;
_journal_coden_ASTM              JCOMEL
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              4725
_journal_page_last               4738
_journal_paper_doi               10.1088/0953-8984/7/24/012
_journal_volume                  7
_journal_year                    1995
_chemical_formula_structural     'K2 (Fe Cl5 (H2 O))'
_chemical_formula_sum            'Cl5 Fe H2 K2 O'
_chemical_name_systematic        'Potassium aquapentachloroferrate(III)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   13.5795(7)
_cell_length_b                   9.7024(7)
_cell_length_c                   7.0147(3)
_cell_volume                     924.2
_refine_ls_R_factor_all          0.039
_cod_original_formula_sum        'H2 Cl5 Fe K2 O'
_cod_database_code               1006098