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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/16/4031695.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_4031695
loop_
_publ_author_name
'Chandley, P.'
'Clark, R.J.H.'
'Angel, R.J.'
'Price, G.D.'
_publ_section_title
;
 Site preference of vanadium doped into ZrSiO4 and ZrGeO4 and ofterbium
 doped into ZrGeO4
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1579
_journal_page_last               1584
_journal_volume                  1992
_journal_year                    1992
_chemical_formula_sum            'Ge0.957 O4 V0.043 Zr'
_chemical_name_systematic        'Zr V.043 Ge.957 O4'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.865
_cell_length_b                   4.865
_cell_length_c                   10.538
_cell_volume                     249.416
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Chandley_JCDTBI_1992_1555.cif
_cod_data_source_block           Ge0.957O4V0.043Zr1
_cod_original_cell_volume        249.4157
_cod_original_sg_symbol_Hall     '-I 4ad (x,y+1/4,z+1/8)'
_cod_chemical_formula_sum_orig   'Ge0.957 O4 V0.043 Zr1'
_cod_database_code               4031695
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-z
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
O1 O-2 0.2668 0.171 0.0815 1 0.0
Zr1 Zr+4 0 0 0.5 1 0.0
Ge1 Ge+4 0 0 0 0.957 0.0
V1 V+4 0 0 0 0.043 0.0