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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/1/00/86/1008610.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_1008610
loop_
_publ_author_name
'Soubeyroux, J L'
'Reau, J M'
'Matar, S'
'Hagenmueller, P'
'Lucat, C'
_publ_section_title
;
Etude par diffraction de neutrons de la solution solide Pb₁₋ₓ Thₓ
F₂₊₂ₓ
;
_journal_coden_ASTM              SSIOD3
_journal_name_full               'Solid State Ionics'
_journal_page_first              215
_journal_page_last               229
_journal_paper_doi               10.1016/0167-2738(81)90181-8
_journal_volume                  2
_journal_year                    1981
_chemical_formula_structural     'Pb.975 Th.025 F2.05'
_chemical_formula_sum            'F2.05 Pb0.975 Th0.025'
_chemical_name_systematic        'Lead thorium fluoride (.98/.03/2.05)'
_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                   5.9454(3)
_cell_length_b                   5.9454(3)
_cell_length_c                   5.9454(3)
_cell_volume                     210.2
_refine_ls_R_factor_all          0.02
_cod_original_formula_sum        'F2.05 Pb.975 Th.025'
_cod_database_code               1008610
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,z,y
y,x,z
z,y,x
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-x,-y,z
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-x,-z,y
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-y,-x,-z
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y,-x,z
z,-y,x
x,y,-z
y,z,-x
z,x,-y
x,z,-y
y,x,-z
z,y,-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
x,1/2+z,1/2+y
1/2+x,z,1/2+y
1/2+x,1/2+z,y
y,1/2+x,1/2+z
1/2+y,x,1/2+z
1/2+y,1/2+x,z
z,1/2+y,1/2+x
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1/2-x,1/2-z,y
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1/2-y,1/2-x,z
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1/2-z,1/2-y,x
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z,1/2+x,1/2-y
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y,1/2+x,1/2-z
1/2+y,x,1/2-z
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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
Pb1 Pb2+ 4 a 0. 0. 0. 0.975 0 d
Th1 Th4+ 4 a 0. 0. 0. 0.025 0 d
F1 F1- 8 c 0.25 0.25 0.25 0.99 0 d
F2 F1- 48 i 0.5 0.386(6) 0.386(6) 0.005 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Th4+ 4.000
F1- -1.000
