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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/86/1008622.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008622
loop_
_publ_author_name
'Soubeyroux, J L'
'Reau, J M'
'Matar, S'
'Villeneuve, G'
'Hagenmueller, P'
_publ_section_title
;
Etude par diffraction neutronique des solutions solides K₁₋ₓ Biₓ
F₁₊₂ₓ et Rb₁₋ₓ Biₓ F₁₊₂ₓ
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              103
_journal_page_last               111
_journal_paper_doi               10.1016/0167-2738(82)90102-3
_journal_volume                  6
_journal_year                    1982
_chemical_formula_structural     'K.35 Bi.65 F2.30'
_chemical_formula_sum            'Bi0.65 F2.3 K0.35'
_chemical_name_systematic        'Potassium bismuth fluoride (.35/.65/2.30)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8885(3)
_cell_length_b                   5.8885(3)
_cell_length_c                   5.8885(3)
_cell_volume                     204.2
_refine_ls_R_factor_all          0.026
_cod_original_formula_sum        'Bi.65 F2.3 K.35'
_cod_database_code               1008622
loop_
_symmetry_equiv_pos_as_xyz
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z,x,y
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z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
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
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 4 a 0. 0. 0. 0.35 0 d
Bi1 Bi3+ 4 a 0. 0. 0. 0.65 0 d
F1 F1- 8 c 0.25 0.25 0.25 0.70(3) 0 d
F2 F1- 48 i 0.5 0.357(1) 0.357(1) 0.08(3) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Bi3+ 3.000
F1- -1.000
