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#                                                                            #
# F-Fe             # FeF3 rt                                       #  541851 #
#                                                                            #
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data_541851
_audit_creation_date                     2024-10-08
_audit_creation_method

# Entry summary

_chemical_formula_structural             'Fe F~3~'
_chemical_formula_sum                    'F3 Fe'
_chemical_name_mineral                   ?
_chemical_compound_source                ?
_chemical_name_structure_type            AlF₃,hP12,150
_chemical_formula_weight                 112.8

# Bibliographic data

_publ_section_title
;
Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium
;
_journal_coden_ASTM                      NATUAS
_journal_name_full                       'Nature (London)'
_journal_year                            1931
_journal_volume                          128
_journal_page_first                      303
_journal_page_last                       ?
_journal_language                        English
loop_
 _publ_author_name
 _publ_author_address
'Ketelaar J.A.A.'
;
Amsterdam University
Laboratorium voor Algemene en Anorganische Chemie
Amsterdam
Netherlands
;

# Standardized crystallographic data

_cell_length_a                           5.2
_cell_length_b                           5.2
_cell_length_c                           6.66
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             155.96
_cell_formula_units_Z                    3
_space_group_IT_number                   150
_space_group_name_H-M_alt                'P 3 2 1'
loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+y, -x, z'
 3 '-x, -x+y, -z'
 4 '-y, x-y, z'
 5 'x-y, -y, -z'
 6 'y, x, -z'
loop_
 _atom_type_symbol
 F
 Fe
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
 F2 F 6 g 0.334 0.167 0.167 1
 F1 F 3 f 0.333 0 0.5 1
 Fe2 Fe 2 d 0.333333 0.666667 0.333 1
 Fe1 Fe 1 a 0 0 0 1


_exptl_crystal_colour                    ?
_exptl_crystal_density_meas              ?
_exptl_crystal_density_diffrn            3.60
_cell_measurement_temperature            ?
_cell_measurement_radiation              'X-rays, Cr Ka'
_cell_measurement_reflns_used            ?
_diffrn_ambient_temperature              ?
_diffrn_measurement_device               film
_diffrn_measurement_device_type          ?
_diffrn_radiation_type                   'X-rays, Cr Ka'
_diffrn_reflns_number                    ?
_exptl_absorpt_coefficient_mu            ?
_exptl_absorpt_correction_type           ?
_computing_structure_solution            'crystal chemical considerations'
_refine_ls_number_parameters             ?
_refine_ls_number_reflns                 ?
_refine_ls_R_factor_gt                   ?
_refine_ls_wR_factor_gt                  ?
_pd_proc_ls_proof_R_factor               ?
_pd_proc_ls_proof_wR_factor              ?
_refine_ls_R_I_factor                    ?

# End of data set 541851

