#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542148.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_1542148
loop_
_publ_author_name
'Ng, H.N.'
'Calvo, C.'
'Idler, K.L.'
_publ_section_title
;
 Crystallographic studies and structural systematics of the C2/c alkali
 metal metavanadates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              357
_journal_page_last               366
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'Li0.38 Na0.62 O3 V'
_chemical_name_systematic        'Li0.38 Na0.62 (V O3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.75
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.228
_cell_length_b                   9.15
_cell_length_c                   5.85
_cell_volume                     518.425
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ng_JSSCBI_1979_1484.cif
_cod_data_source_block           Li0.38Na0.62O3V1
_cod_original_cell_volume        518.4246
_cod_original_formula_sum        'Li0.38 Na0.62 O3 V1'
_cod_database_code               1542148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Li1 Li+1 0 0.9135 0.25 0.76 0.0
V1 V+5 0.2898 0.0916 0.2492 1 0.0
O1 O-2 0.1202 0.0962 0.153 1 0.0
Na1 Na+1 0 0.9135 0.25 0.24 0.0
Na2 Na+1 0 0.2943 0.25 1 0.0
O3 O-2 0.3551 0.004 0.0326 1 0.0
O2 O-2 0.3506 0.2573 0.3028 1 0.0
