#------------------------------------------------------------------------------
#$Date: 2015-07-13 20:51:34 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150555 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/83/1528392.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_1528392
loop_
_publ_author_name
'Capsoni, D.'
'Bini, M.'
'Massarotti, V.'
'Mustarelli, P.'
'Belotti, F.'
'Galinetto, P.'
_publ_section_title
;
 Cation distribution in Li Mg V O4 and Li Zn V O4: structural and
 spectroscopic study
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              5409
_journal_page_last               5415
_journal_volume                  110
_journal_year                    2006
_chemical_formula_sum            'Li1.048 O4 V0.974 Zn0.982'
_chemical_name_systematic        'Li Zn V O4'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   14.1857
_cell_length_b                   14.1857
_cell_length_c                   9.4879
_cell_volume                     1653.493
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Capsoni_JPCBFK_2006_757.cif
_cod_data_source_block           Li1.048O4V0.974Zn0.982
_cod_database_code               1528392
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
V1 V+5 0.1918 0.9769 0.7471 0.251 0.0
V3 V+5 0.188 0.9772 0.0808 0.468 0.0
Zn1 Zn+2 0.1918 0.9769 0.7471 0.198 0.0
O1 O-2 0.2145 0.1322 0.7518 1 0.0
V2 V+5 0.1857 0.9825 0.4141 0.255 0.0
Li2 Li+1 0.1857 0.9825 0.4141 0.291 0.0
Li3 Li+1 0.188 0.9772 0.0808 0.204 0.0
O3 O-2 0.1154 0.8976 0.9293 1 0.0
O2 O-2 0.3371 -0.0103 0.7486 1 0.0
Li1 Li+1 0.1918 0.9769 0.7471 0.553 0.0
O4 O-2 0.1235 0.9056 0.5602 1 0.0
Zn3 Zn+2 0.188 0.9772 0.0808 0.319 0.0
Zn2 Zn+2 0.1857 0.9825 0.4141 0.465 0.0
