#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104403.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_8104403
loop_
_publ_author_name
'Andreetti, G.D.'
'Calestani, G.'
'Montenero, A.'
_publ_section_title
;
 The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-,
 zircon- and huttonite-type structure
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              41
_journal_page_last               51
_journal_volume                  168
_journal_year                    1984
_chemical_formula_sum            'O4 Pb0.5 Th0.5 V'
_chemical_name_systematic        'Pb0.5 Th0.5 (V O4)'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.175
_cell_length_b                   5.175
_cell_length_c                   11.943
_cell_volume                     319.841
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Andreetti_ZEKRDZ_1984_1940.cif
_cod_data_source_block           O4Pb0.5Th0.5V1
_cod_original_formula_sum        'O4 Pb0.5 Th0.5 V1'
_cod_database_code               8104403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Th1 Th+4 0 0.25 0.625 0.5 0.0
V1 V+5 0 0.25 0.125 1 0.0
Pb1 Pb+2 0 0.25 0.625 0.5 0.0
O1 O-2 0.249 0.376 0.047 1 0.0
