#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/77/1507770.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_1507770
loop_
_publ_author_name
'Le Bail, A'
_publ_section_title
;
 The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x <
 0.27)
;
_journal_name_full
;
Powder Diffraction
;
_journal_page_first              303
_journal_page_last               307
_journal_paper_doi               10.1154/1.3659491
_journal_volume                  26
_journal_year                    2011
_chemical_formula_sum            'F2.26 Fe0.26 Pb0.74'
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   5.99259(13)
_cell_length_b                   5.57807(12)
_cell_length_c                   11.5208(3)
_cell_measurement_temperature    293(2)
_cell_volume                     385.107(15)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293(2)
_cod_data_source_file            beta-Pb1-xFexF2x.cif
_cod_data_source_block           beta-Pb1-xFexF2+x
_cod_depositor_comments          'Error in the paper title corrected'
_cod_original_cell_volume        385.105(15)
_cod_database_code               1507770
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
x+1/2,y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,z
-x+1/2,-y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
x+1/2,y+1/2,-z
loop_
_atom_site_label
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Pb1 2a 0.00000 0.00000 0.00000 0.0089(11) 1.00000
Pb2 4l 0.00000 0.50000 0.26304(15) 0.0125(13) 0.759(7)
Fe2 4l 0.00000 0.50000 0.26304(15) 0.0125(13) 0.241(7)
Fe1 2d 0.00000 0.00000 0.50000 0.0238(19) 0.557(5)
Pb3 2d 0.00000 0.00000 0.50000 0.0238(19) 0.443(5)
F1 8m 0.25000 0.25000 0.1541(11) 0.059(3) 1.00000
F2 4f 0.25000 0.25000 0.50000 0.110(15) 0.557(2)
F3 4k 0.00000 0.00000 0.3186(13) 0.062(5) 0.557(2)
