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#$Date: 2015-10-07 14:42:12 +0300 (Wed, 07 Oct 2015) $
#$Revision: 160660 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/41/1534158.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_1534158
loop_
_publ_author_name
'Angenault, J.'
'Rimsky, A.'
_publ_section_title
;
 Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              978
_journal_page_last               980
_journal_volume                  266
_journal_year                    1968
_chemical_formula_sum            'Hg O6 V2'
_chemical_name_systematic        'Hg V2 O6'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.43
_cell_length_b                   5.984
_cell_length_c                   4.925
_cell_volume                     425.269
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Angenault_CHDCAQ_1968_1607.cif
_cod_data_source_block           Hg1O6V2
_cod_original_cell_volume        425.2695
_cod_chemical_formula_sum_orig   'Hg1 O6 V2'
_cod_database_code               1534158
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
Hg1 Hg+2 0 0 0 1 0.0
O3 O-2 0.243 0.612 0.258 1 0.0
O2 O-2 0.121 0.359 0.38 1 0.0
V1 V+5 0.329 0.065 0.027 1 0.0
O1 O-2 0.096 0.812 0.332 1 0.0