#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525827.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_1525827
loop_
_publ_author_name
'Lloyd, D.J.'
'Galy, J.'
_publ_section_title
;
 Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              209
_journal_page_last               211
_journal_volume                  2
_journal_year                    1973
_chemical_formula_sum            'O8 V3 Zn'
_chemical_name_systematic        'Zn V3 O8'
_space_group_IT_number           45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.298
_cell_length_b                   9.908
_cell_length_c                   8.43
_cell_volume                     1194.232
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Lloyd_CSCMCS_1973_880.cif
_cod_data_source_block           O8V3Zn1
_cod_original_cell_volume        1194.233
_cod_original_formula_sum        'O8 V3 Zn1'
_cod_database_code               1525827
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z+1/2
x,-y,z+1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1
x+1/2,-y+1/2,z+1
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
O5 O-2 0.0794 0.2301 0.8341 1 0.0
O1 O-2 0.0766 0.2181 0.1422 1 0.0
O7 O-2 0.266 0.0866 0.9711 1 0.0
O4 O-2 0.2309 0.1437 0.6462 1 0.0
O6 O-2 0.3905 0.0148 0.7369 1 0.0
Zn1 Zn+2 0.3465 0.1683 0.1694 1 0.0
O3 O-2 0.0796 0.0173 0.4665 1 0.0
V1 V+4 0.0223 0.1658 -0.0221 1 0.0
V3 V+5 0.2017 0.0574 0.4809 1 0.0
V2 V+5 0.3469 0.166 0.789 1 0.0
O8 O-2 0.4169 0.2266 0.9888 1 0.0
O2 O-2 0.2339 0.1488 0.3179 1 0.0
