LMucko/crystallography-open-database huggingface dataset:
Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium
Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747–750; doi:

data_1000172
_publ_section_title
;
Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              747
_journal_page_last               750
_journal_volume                  273
_journal_year                    1971
_chemical_formula_structural     'Rb Nb2 O5 F'
_chemical_formula_sum            'F Nb2 O5 Rb'
_chemical_name_systematic        'Rubidium diniobium pentaoxide fluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.492(3)
_cell_length_b                   10.492(3)
_cell_length_c                   10.492(3)
_cell_volume                     1155.0
_refine_ls_R_factor_all          0.11
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000172
Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~ (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium
Ory, G; Fourquet, J L; Jacoboni, C; Miranday, J P; de Pape, R; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 273 (1971) 747–750; doi:

data_1000173
_publ_section_title
;
Localisation des cations monovalents dans les pyrochlores A B~2~ X~6~
(A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
cristallographiques dans le cas du thallium
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              747
_journal_page_last               750
_journal_volume                  273
_journal_year                    1971
_chemical_formula_structural     'Cs Nb2 O5 F'
_chemical_formula_sum            'Cs F Nb2 O5'
_chemical_name_systematic        'Caesium diniobium pentaoxide fluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.525(3)
_cell_length_b                   10.525(3)
_cell_length_c                   10.525(3)
_cell_volume                     1165.9
_refine_ls_R_factor_all          0.06
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000173
Crystal Structure of the Ordered Pyrochlore N H~4~ Fe(II) Fe(III) F~6~ Structural Correlations with Fe~2~ F~5~ (H~2~ O)~2~ and Its Dehydration Product Fe~2~ F~5~ H~2~ O
Ferey, G; le Blanc, M; de Pape, R; Journal of Solid State Chemistry 40 (1981) 1–7; doi:10.1016/0022-4596(81)90352-2

data_1000174
_publ_section_title
;
Crystal Structure of the Ordered Pyrochlore N H~4~ Fe(II) Fe(III) F~6~
Structural Correlations with Fe~2~ F~5~ (H~2~ O)~2~ and Its Dehydration
Product Fe~2~ F~5~ H~2~ O
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(81)90352-2
_journal_volume                  40
_journal_year                    1981
_chemical_formula_structural     'N H4 Fe2 F6'
_chemical_formula_sum            'F6 Fe2 H4 N'
_chemical_name_systematic        'Ammonium iron iron(III) fluoride'
_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                   7.045(4)
_cell_length_b                   7.454(4)
_cell_length_c                   10.116(6)
_cell_volume                     531.2
_exptl_crystal_density_meas      3.1
_refine_ls_R_factor_all          0.024
_cod_original_formula_sum        'H4 F6 Fe2 N'
_cod_database_code               1000174
RbAlF~4~: Structure of Its β Metastable Form and Description of the Mechanism of Its Irreversible and Topotactic Phase Transition β →α
Fourquet, J. L.; Plet, F.; de Pape, R.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 36 (1980) 1997–2000; doi:10.1107/S0567740880007790

data_1000175
_publ_section_title
;
 RbAlF~4~: Structure of Its \b Metastable Form and Description of the
 Mechanism of Its Irreversible and Topotactic Phase Transition
 \b \\rightarrow \a
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              1997
_journal_page_last               2000
_journal_paper_doi               10.1107/S0567740880007790
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Rb Al F4'
_chemical_formula_sum            'Al F4 Rb'
_chemical_name_systematic        'Rubidium aluminium tetrafluoride - \b'
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   11.666(5)
_cell_length_b                   11.666(5)
_cell_length_c                   12.551(6)
_cell_volume                     1708.1
_refine_ls_R_factor_all          0.0178
_cod_database_code               1000175
Sur quelques nouveaux grenats fluores.
de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 1120–1121; doi:

data_1000176
_publ_section_title              'Sur quelques nouveaux grenats fluores.'
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1120
_journal_page_last               1121
_journal_volume                  269
_journal_year                    1969
_chemical_formula_structural     'Na3 Li3 Sc2 F12'
_chemical_formula_sum            'F12 Li3 Na3 Sc2'
_chemical_name_systematic
;
Trisodium trilithium scandium dodecafluoride
;
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.607(3)
_cell_length_b                   12.607(3)
_cell_length_c                   12.607(3)
_cell_volume                     2003.7
_exptl_crystal_density_meas      2.66
_refine_ls_R_factor_all          0.085
_cod_database_code               1000176
Sur quelques nouveaux grenats fluores.
de Pape, R; Portier, J; Grannec, J; Gauthier, G; Hagenmueller, P; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 269 (1969) 1120–1121; doi:

data_1000177
_publ_section_title              'Sur quelques nouveaux grenats fluores.'
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1120
_journal_page_last               1121
_journal_volume                  269
_journal_year                    1969
_chemical_formula_structural     'Na3 Li3 In2 F12'
_chemical_formula_sum            'F12 In2 Li3 Na3'
_chemical_name_systematic        'Trisodium trilithium indium dodecafluoride'
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.693(3)
_cell_length_b                   12.693(3)
_cell_length_c                   12.693(3)
_cell_volume                     2045.0
_exptl_crystal_density_meas      3.54
_refine_ls_R_factor_all          0.072
_cod_database_code               1000177
Etude cristallographique et magnetique d'un fluorure inedit de type trirutile
Portier, J; Tressaud, A; de Pape, R; Hagenmueller, P; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 267 (1968) 1711–1713; doi:

data_1000178
_publ_section_title
;
Etude cristallographique et magnetique d'un fluorure inedit de type
trirutile
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              1711
_journal_page_last               1713
_journal_volume                  267
_journal_year                    1968
_chemical_formula_structural     'Li Fe2 F6'
_chemical_formula_sum            'F6 Fe2 Li'
_chemical_name_systematic        'Lithium iron iron(III) hexafluoride'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.673(5)
_cell_length_b                   4.673(5)
_cell_length_c                   9.29(2)
_cell_volume                     202.9
_exptl_crystal_density_meas      3.75(5)
_refine_ls_R_factor_all          0.11
_cod_database_code               1000178
Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl)
de Pape, R; Tressaud, A; Portier, J; Materials Research Bulletin 3 (1968) 753–758; doi:10.1016/0025-5408(68)90043-3

data_1000179
_publ_section_title
;
Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~
(M = Na, Rb, Tl)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              753
_journal_page_last               758
_journal_paper_doi               10.1016/0025-5408(68)90043-3
_journal_volume                  3
_journal_year                    1968
_chemical_formula_structural     'Na.11 Fe F3'
_chemical_formula_sum            'F3 Fe Na0.11'
_chemical_name_systematic        'Sodium iron fluoride (.11/1/3)'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                58.85(5)
_cell_angle_beta                 58.85(5)
_cell_angle_gamma                58.85(5)
_cell_formula_units_Z            2
_cell_length_a                   5.372(2)
_cell_length_b                   5.372(2)
_cell_length_c                   5.372(2)
_cell_volume                     106.7
_exptl_crystal_density_meas      3.59(1)
_cod_original_sg_symbol_H-M      'R -3 c R'
_cod_original_formula_sum        'F3 Fe Na.11'
_cod_database_code               1000179
Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~
Lacorre, P; Hervieu, M; Raveau, B; Materials Research Bulletin 19 (1984) 693–699; doi:10.1016/0025-5408(84)90024-2

data_1000180
_publ_section_title
;
Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              693
_journal_page_last               699
_journal_paper_doi               10.1016/0025-5408(84)90024-2
_journal_volume                  19
_journal_year                    1984
_chemical_formula_structural     'Li3 Fe Sb2 O8'
_chemical_formula_sum            'Fe Li3 O8 Sb2'
_chemical_name_systematic        'Trilithium iron(III) antimonate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   9.017(4)
_cell_length_b                   5.013(2)
_cell_length_c                   9.841(4)
_cell_volume                     444.8
_refine_ls_R_factor_all          0.065
_cod_database_code               1000180
The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate
Fourquet, J L; Plet, F; de Pape, R; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 2136–2138; doi:10.1107/S0567740881008236

data_1000181
_publ_section_title
;
The Structure of Dimercury(I) Aluminium(III) Fluoride Dihydrate
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2136
_journal_page_last               2138
_journal_paper_doi               10.1107/S0567740881008236
_journal_volume                  37
_journal_year                    1981
_chemical_formula_structural     'Hg2 Al F5 (H2 O)2'
_chemical_formula_sum            'Al F5 H4 Hg2 O2'
_chemical_name_systematic        'Mercury(I) pentafluoroaluminate dihydrate'
_space_group_IT_number           108
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      108
_symmetry_space_group_name_Hall  'I 4 -2c'
_symmetry_space_group_name_H-M   'I 4 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.353(5)
_cell_length_b                   9.353(5)
_cell_length_c                   7.241(6)
_cell_volume                     633.4
_refine_ls_R_factor_all          0.0365
_cod_original_formula_sum        'H4 Al F5 Hg2 O2'
_cod_database_code               1000181
NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement
Bulou, A; Leble, A; Hewat, A W; Materials Research Bulletin 17 (1982) 391–397; doi:10.1016/0025-5408(82)90090-3

data_1000182
_publ_section_title
;
NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by
Neutron Powder Profile Refinement
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              391
_journal_page_last               397
_journal_paper_doi               10.1016/0025-5408(82)90090-3
_journal_volume                  17
_journal_year                    1982
_chemical_formula_structural     'N H4 Al F4'
_chemical_formula_sum            'Al F4 H4 N'
_chemical_name_systematic        'Ammonium tetrafluoroaluminate'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0875(1)
_cell_length_b                   5.0875(1)
_cell_length_c                   12.7319(4)
_cell_volume                     329.5
_refine_ls_R_factor_all          0.0863
_cod_original_formula_sum        'H4 Al F4 N'
_cod_database_code               1000182
NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement
Bulou, A; Leble, A; Hewat, A W; Materials Research Bulletin 17 (1982) 391–397; doi:10.1016/0025-5408(82)90090-3

data_1000183
_publ_section_title
;
NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by
Neutron Powder Profile Refinement
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              391
_journal_page_last               397
_journal_paper_doi               10.1016/0025-5408(82)90090-3
_journal_volume                  17
_journal_year                    1982
_chemical_formula_structural     'N H4 Al F4'
_chemical_formula_sum            'Al F4 H4 N'
_chemical_name_systematic        'Ammonium tetrafluoroaluminate'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0564(1)
_cell_length_b                   5.0564(1)
_cell_length_c                   12.7113(2)
_cell_volume                     325.0
_refine_ls_R_factor_all          0.0656
_cod_original_formula_sum        'H4 Al F4 N'
_cod_database_code               1000183
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~
Courbion, G; Jacoboni, C; de Pape, R; Journal of Solid State Chemistry 45 (1982) 127–134; doi:10.1016/0022-4596(82)90299-7

data_1000184
_publ_section_title
;
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the
Structural Type Na~2~ Si F~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              127
_journal_page_last               134
_journal_paper_doi               10.1016/0022-4596(82)90299-7
_journal_volume                  45
_journal_year                    1982
_chemical_formula_structural     'Li Mn Fe F6'
_chemical_formula_sum            'F6 Fe Li Mn'
_chemical_name_systematic
;
Lithium manganese iron(III) fluoride - $-alpha
;
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.684(2)
_cell_length_b                   8.684(2)
_cell_length_c                   4.657(1)
_cell_volume                     304.1
_exptl_crystal_density_meas      3.7(5)
_refine_ls_R_factor_all          0.027
_cod_database_code               1000184
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~
Courbion, G; Jacoboni, C; de Pape, R; Journal of Solid State Chemistry 45 (1982) 127–134; doi:10.1016/0022-4596(82)90299-7

data_1000185
_publ_section_title
;
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the
Structural Type Na~2~ Si F~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              127
_journal_page_last               134
_journal_paper_doi               10.1016/0022-4596(82)90299-7
_journal_volume                  45
_journal_year                    1982
_chemical_formula_structural     'Li Mn Fe F6'
_chemical_formula_sum            'F6 Fe Li Mn'
_chemical_name_systematic
;
Lithium manganese iron(III) fluoride - $-beta
;
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.723(2)
_cell_length_b                   8.723(2)
_cell_length_c                   4.745(1)
_cell_volume                     312.7
_exptl_crystal_density_meas      3.59(5)
_refine_ls_R_factor_all          0.085
_cod_database_code               1000185
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the Structural Type Na~2~ Si F~6~
Courbion, G; Jacoboni, C; de Pape, R; Journal of Solid State Chemistry 45 (1982) 127–134; doi:10.1016/0022-4596(82)90299-7

data_1000186
_publ_section_title
;
The Dimorphism of Li Mn Fe F~6~: A New Kind of Cationic Order in the
Structural Type Na~2~ Si F~6~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              127
_journal_page_last               134
_journal_paper_doi               10.1016/0022-4596(82)90299-7
_journal_volume                  45
_journal_year                    1982
_chemical_formula_structural     'Li Mn Fe F6'
_chemical_formula_sum            'F6 Fe Li Mn'
_chemical_name_systematic
;
Lithium manganese iron(III) fluoride - $-beta
;
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.723(2)
_cell_length_b                   8.723(2)
_cell_length_c                   4.745(1)
_cell_volume                     312.7
_exptl_crystal_density_meas      3.59(5)
_refine_ls_R_factor_all          0.027
_cod_database_code               1000186
Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H~2~O)~0.33~FeF~3~; Crystal Structure, Magnetic Properties, Dehydration to a New Form of Iron Trifluoride
Leblanc, M; Ferey, G; Chevalier, P; Calage, Y; de Pape, R; Journal of Solid State Chemistry 47 (1983) 53–58; doi:10.1016/0022-4596(83)90041-5

data_1000187
_publ_section_title
;
Hexagonal Tungsten Bronze-Type Fe(III) Fluoride: (H~2~O)~0.33~FeF~3~;
Crystal Structure, Magnetic Properties, Dehydration to a New Form of
Iron Trifluoride
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              53
_journal_page_last               58
_journal_paper_doi               10.1016/0022-4596(83)90041-5
_journal_volume                  47
_journal_year                    1983
_chemical_formula_structural     'Fe F3 (H2 O).33'
_chemical_formula_sum            'F3 Fe H0.66 O0.33'
_chemical_name_systematic        'Iron(III) fluoride hydrate (1/3/.33)'
_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            12
_cell_length_a                   7.423(3)
_cell_length_b                   12.730(4)
_cell_length_c                   7.526(3)
_cell_volume                     711.2
_exptl_crystal_density_meas      3.25(10)
_refine_ls_R_factor_all          0.019
_cod_original_formula_sum        'H.66 F3 Fe O.33'
_cod_database_code               1000187