LMucko/crystallography-open-database huggingface dataset:
Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition
García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.; Physical Review B: Condensed Matter and Materials Physics 46 (1992) 4414–4425; doi:10.1103/PhysRevB.46.4414

data_1000316
_publ_section_title
;
 Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically
 induced structural changes across the metal-insulator transition
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   8
_journal_name_full
;
 Physical Review B: Condensed Matter and Materials Physics
;
_journal_page_first              4414
_journal_page_last               4425
_journal_paper_doi               10.1103/PhysRevB.46.4414
_journal_volume                  46
_journal_year                    1992
_chemical_formula_structural     'Nd (Ni O3)'
_chemical_formula_sum            'Nd Ni O3'
_chemical_name_systematic        'Neodymium nickel(III) oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   5.3836(2)
_cell_length_b                   5.3863(2)
_cell_length_c                   7.6078(3)
_cell_volume                     220.6
_refine_ls_R_factor_all          0.037
_cod_database_code               1000316
Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition
García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.; Physical Review B: Condensed Matter and Materials Physics 46 (1992) 4414–4425; doi:10.1103/PhysRevB.46.4414

data_1000317
_publ_section_title
;
 Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically
 induced structural changes across the metal-insulator transition
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   8
_journal_name_full
;
 Physical Review B: Condensed Matter and Materials Physics
;
_journal_page_first              4414
_journal_page_last               4425
_journal_paper_doi               10.1103/PhysRevB.46.4414
_journal_volume                  46
_journal_year                    1992
_chemical_formula_structural     'Nd (Ni O3)'
_chemical_formula_sum            'Nd Ni O3'
_chemical_name_systematic        'Neodymium nickel(III) oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   5.3879(4)
_cell_length_b                   5.3797(3)
_cell_length_c                   7.6058(4)
_cell_volume                     220.5
_refine_ls_R_factor_all          0.068
_cod_database_code               1000317
Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically induced structural changes across the metal-insulator transition
García-Muñoz, J. L.; Rodríguez-Carvajal, J.; Lacorre, P.; Torrance, J. B.; Physical Review B: Condensed Matter and Materials Physics 46 (1992) 4414–4425; doi:10.1103/PhysRevB.46.4414

data_1000318
_publ_section_title
;
 Neutron-diffraction study of RNiO~3~ (R= La, Pr, Nd, Sm): Electronically
 induced structural changes across the metal-insulator transition
;
_journal_coden_ASTM              PRBMDO
_journal_issue                   8
_journal_name_full
;
 Physical Review B: Condensed Matter and Materials Physics
;
_journal_page_first              4414
_journal_page_last               4425
_journal_paper_doi               10.1103/PhysRevB.46.4414
_journal_volume                  46
_journal_year                    1992
_chemical_formula_structural     'Nd (Ni O3)'
_chemical_formula_sum            'Nd Ni O3'
_chemical_name_systematic        'Neodymium nickel(III) oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   5.3891(3)
_cell_length_b                   5.3816(2)
_cell_length_c                   7.6101(3)
_cell_volume                     220.7
_refine_ls_R_factor_all          0.029
_cod_database_code               1000318
A new oxyfluoride Ba~3~Ta~2~O~2~F~12~: structural approach
Crosnier-Lopez, M P; Laligand, Y; Fourquet, J L; European Journal of Solid State Inorganic Chemistry 30 (1993) 155–163; doi:

data_1000319
_publ_section_title
;
A new oxyfluoride Ba~3~Ta~2~O~2~F~12~: structural approach
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              155
_journal_page_last               163
_journal_volume                  30
_journal_year                    1993
_chemical_formula_structural     'Ba3 (Ta O F6)2'
_chemical_formula_sum            'Ba3 F12 O2 Ta2'
_chemical_name_systematic        'Tribarium bis(oxohexafluorotantalate)'
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5063(3)
_cell_length_b                   5.5063(3)
_cell_length_c                   21.0295(15)
_cell_volume                     637.6
_refine_ls_R_factor_all          0.054
_cod_original_sg_symbol_H-M      'P 42/n m c Z'
_cod_database_code               1000319
Crystal growth and structures of rare earth fluorocarbonates: I. Structures of BaSm(CO~3~)~2~F and Ba~3~La~2~(CO~3~)~5~F~2~: revision of the corresponding huanghoite and cebaite type structures
Mercier, N; Leblanc, M; European Journal of Solid State Inorganic Chemistry 30 (1993) 195–205; doi:

data_1000320
_publ_section_title
;
Crystal growth and structures of rare earth fluorocarbonates: I.
Structures of BaSm(CO~3~)~2~F and Ba~3~La~2~(CO~3~)~5~F~2~: revision of
the corresponding huanghoite and cebaite type structures
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              195
_journal_page_last               205
_journal_volume                  30
_journal_year                    1993
_chemical_formula_structural     'Ba2 Ce (C O3)3 F'
_chemical_formula_sum            'C3 Ba2 Ce F O9'
_chemical_name_systematic        'Dibarium cerium tris(carbonate) fluoride'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.45(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.365(3)
_cell_length_b                   5.097(1)
_cell_length_c                   6.638(1)
_cell_volume                     433.7
_refine_ls_R_factor_all          0.019
_cod_original_formula_sum        'Ba2 Ce F O9'
_cod_database_code               1000320
Existence of 3d transition metal fluorocarbonates: synthesis, characterization of BaM(CO~3~)F~2~ (M=Mn, Cu) and crystal structure of BaCu(CO~3~)F~2~
Mercier, N; Leblanc, M; European Journal of Solid State Inorganic Chemistry 30 (1993) 217–225; doi:

data_1000321
_publ_section_title
;
Existence of 3d transition metal fluorocarbonates: synthesis,
characterization of BaM(CO~3~)F~2~ (M=Mn, Cu) and crystal structure of
BaCu(CO~3~)F~2~
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              217
_journal_page_last               225
_journal_volume                  30
_journal_year                    1993
_chemical_formula_structural     'Ba Cu (C O3) F2'
_chemical_formula_sum            'C Ba Cu F2 O3'
_chemical_name_systematic        'Barium copper carbonate difluoride'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.889(1)
_cell_length_b                   8.539(3)
_cell_length_c                   9.588(3)
_cell_volume                     400.3
_refine_ls_R_factor_all          0.017
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ba Cu F2 O3'
 to 'C Ba Cu F2 O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000321
Oxyfluorinated microporous compounds: III. Synthesis and crystal structure of a new gallophosphate: Ga~4~P~3~O~12~F~2~(OH)~2~(H~2~O)~2~, 0.5 DABCO
Loiseau, T; Ferey, G; European Journal of Solid State Inorganic Chemistry 30 (1993) 369–381; doi:

data_1000322
_publ_section_title
;
Oxyfluorinated microporous compounds: III. Synthesis and crystal
structure of a new gallophosphate: Ga~4~P~3~O~12~F~2~(OH)~2~(H~2~O)~2~,
0.5 DABCO
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              369
_journal_page_last               381
_journal_volume                  30
_journal_year                    1993
_chemical_formula_analytical
;
Ga4 (P O4)3 F2 (O H)2 (H2 O)2 (N (C H2 C H2)3 N)0.5
;
_chemical_formula_structural     'Ga4 (P O4)3 F2 (O H)2 (H2 O)2'
_chemical_formula_sum            'F2 Ga4 H6 O16 P3'
_chemical_name_systematic
;
Tetragallium tris(phosphate) difluoride dihydroxide dihydrate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.455(1)
_cell_length_b                   13.455(1)
_cell_length_c                   18.902(1)
_cell_volume                     3422.0
_refine_ls_R_factor_all          0.043
_cod_original_sg_symbol_H-M      'I 41/a Z'
_cod_original_formula_sum        'H6 F2 Ga4 O16 P3'
_cod_database_code               1000322
Complex copper(II) fluorides: XIV. The average crystal structure ofBa~10~Cu~12~FeF~47~
Renaudin, J; Ferey, G; de Kozak, A; Samouel, M; Gredin, P; European Journal of Solid State Inorganic Chemistry 30 (1993) 401–411; doi:

data_1000323
_publ_section_title
;
Complex copper(II) fluorides: XIV. The average crystal structure
ofBa~10~Cu~12~FeF~47~
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              401
_journal_page_last               411
_journal_volume                  30
_journal_year                    1993
_chemical_formula_structural     'Ba10 Cu12 Fe F47'
_chemical_formula_sum            'Ba10 Cu12 F47 Fe'
_chemical_name_systematic        'Barium copper iron fluoride (10/12/1/47)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 109.92(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.447(5)
_cell_length_b                   11.638(8)
_cell_length_c                   11.809(2)
_cell_volume                     1995.9
_refine_ls_R_factor_all          0.032
_cod_database_code               1000323
Synthesis and crystal structure of Ba~4~Nb~2~O~3~F~12~
Crosnier-Lopez, M P; Fourquet, J L; Journal of Solid State Chemistry 103 (1993) 131–138; doi:10.1006/jssc.1993.1085

data_1000324
_publ_section_title
;
Synthesis and crystal structure of Ba~4~Nb~2~O~3~F~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              131
_journal_page_last               138
_journal_paper_doi               10.1006/jssc.1993.1085
_journal_volume                  103
_journal_year                    1993
_chemical_formula_structural     'Ba4 (Nb2 O3 F12)'
_chemical_formula_sum            'Ba4 F12 Nb2 O3'
_chemical_name_systematic        'Barium fluoroniobate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 114.234(5)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   22.672(2)
_cell_length_b                   13.075(1)
_cell_length_c                   14.996(1)
_cell_volume                     4053.6
_refine_ls_R_factor_all          0.028
_cod_database_code               1000324
K~2~FeF~5~: synthesis and crystal structure of a new form
Fourquet, J L; Duroy, H; Journal of Solid State Chemistry 103 (1993) 353–358; doi:10.1006/jssc.1993.1110

data_1000325
_publ_section_title
;
K~2~FeF~5~: synthesis and crystal structure of a new form
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              353
_journal_page_last               358
_journal_paper_doi               10.1006/jssc.1993.1110
_journal_volume                  103
_journal_year                    1993
_chemical_formula_structural     'K2 (Fe F5)'
_chemical_formula_sum            'F5 Fe K2'
_chemical_name_systematic        'Dipotassium catena-fluoroferrate(III)'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.3591(4)
_cell_length_b                   23.0897(10)
_cell_length_c                   5.7054(2)
_cell_volume                     969.5
_refine_ls_R_factor_all          0.026
_cod_database_code               1000325
A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~
Maguer, J J; Courbion, G; Journal of Solid State Chemistry 103 (1993) 466–471; doi:10.1006/jssc.1993.1124

data_1000326
_publ_section_title
;
A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              466
_journal_page_last               471
_journal_paper_doi               10.1006/jssc.1993.1124
_journal_volume                  103
_journal_year                    1993
_chemical_formula_structural     'Li4 Zn In2 F12'
_chemical_formula_sum            'F12 In2 Li4 Zn'
_chemical_name_systematic        'Tetralithium zinc diindium dodecafluoride'
_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            2
_cell_length_a                   4.7496(5)
_cell_length_b                   17.606(2)
_cell_length_c                   5.0617(6)
_cell_volume                     423.3
_refine_ls_R_factor_all          0.015
_cod_database_code               1000326
New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure
Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M; European Journal of Solid State Inorganic Chemistry 28 (1991) 23–36; doi:

data_1000327
_publ_section_title
;
New ZrP~2~O~7~-like diphosphates of either mixed
(M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^
cations (M'=Ta,Nb):synthesis and structure
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              23
_journal_page_last               36
_journal_volume                  28
_journal_year                    1991
_chemical_formula_structural     '(Bi0.5 Ta0.5) (P2 O7)'
_chemical_formula_sum            'Bi0.5 O7 P2 Ta0.5'
_chemical_name_systematic        'Bismuth tantalum diphosphate (0.5/0.5/1)'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.253(2)
_cell_length_b                   8.253(2)
_cell_length_c                   8.253(2)
_cell_volume                     562.1
_refine_ls_R_factor_all          0.022
_cod_original_formula_sum        'Bi.5 O7 P2 Ta.5'
_cod_database_code               1000327
New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure
Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M; European Journal of Solid State Inorganic Chemistry 28 (1991) 23–36; doi:

data_1000328
_publ_section_title
;
New ZrP~2~O~7~-like diphosphates of either mixed
(M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^
cations (M'=Ta,Nb):synthesis and structure
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              23
_journal_page_last               36
_journal_volume                  28
_journal_year                    1991
_chemical_formula_analytical     'Ta0.92 P1.88 O7'
_chemical_formula_structural     'Ta0.899 (P1.901 O7)'
_chemical_formula_sum            'O7 P1.901 Ta0.899'
_chemical_name_systematic        'Tantalum phosphorus oxide (0.9/1.9/7)'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.109(1)
_cell_length_b                   8.109(1)
_cell_length_c                   8.109(1)
_cell_volume                     533.2
_refine_ls_R_factor_all          0.014
_cod_original_formula_sum        'O7 P1.901 Ta.899'
_cod_database_code               1000328
Crystal structure of a polytypic form of Ba~3~AlF~9~(form Ib)
Renaudin, J; Ferey, G; de Kozak, A; Samouel, M; European Journal of Solid State Inorganic Chemistry 28 (1991) 373–381; doi:

data_1000329
_publ_section_title
;
Crystal structure of a polytypic form of Ba~3~AlF~9~(form Ib)
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              373
_journal_page_last               381
_journal_volume                  28
_journal_year                    1991
_chemical_formula_structural     'Ba3 (Al F6) F3'
_chemical_formula_sum            'Al Ba3 F9'
_chemical_name_systematic
;
Tribarium hexafluoroaluminate trifluoride - Ib
;
_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                   10.063(9)
_cell_length_b                   5.567(6)
_cell_length_c                   14.88(1)
_cell_volume                     833.6
_refine_ls_R_factor_all          0.028
_cod_database_code               1000329
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
Mercier, N; Leblanc, M; European Journal of Solid State Inorganic Chemistry 28 (1991) 727–735; doi:

data_1000330
_publ_section_title
;
Synthesis and crystal structure of fluorocarbonates
Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              727
_journal_page_last               735
_journal_volume                  28
_journal_year                    1991
_chemical_formula_structural     'Ba2 Y (C O3)2 F3'
_chemical_formula_sum            'C2 Ba2 F3 O6 Y'
_chemical_name_systematic        'Dibarium yttrium dicarbonate trifluoride'
_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                   9.458(3)
_cell_length_b                   6.966(2)
_cell_length_c                   11.787(4)
_cell_volume                     776.6
_refine_ls_R_factor_all          0.028
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ba2 F3 O6 Y'
 to 'C2 Ba2 F3 O6 Y'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000330
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
Mercier, N; Leblanc, M; European Journal of Solid State Inorganic Chemistry 28 (1991) 727–735; doi:

data_1000331
_publ_section_title
;
Synthesis and crystal structure of fluorocarbonates
Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              727
_journal_page_last               735
_journal_volume                  28
_journal_year                    1991
_chemical_formula_structural     'Ba2 Gd (C O3)2 F3'
_chemical_formula_sum            'C2 Ba2 F3 Gd O6'
_chemical_name_systematic        'Dibarium gadolinium dicarbonate trifluoride'
_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                   9.513(1)
_cell_length_b                   6.978(1)
_cell_length_c                   11.864(4)
_cell_volume                     787.6
_refine_ls_R_factor_all          0.025
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ba2 F3 Gd O6'
 to 'C2 Ba2 F3 Gd O6'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000331