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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521050.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_1521050
loop_
_publ_author_name
'Gaubicher, J.'
'Villesuzanne, A.'
'Orsini, F.'
'Angenault, J.'
'Llorente, S.'
'le Mercier, T.'
'Quarton, M.'
_publ_section_title
;
 Synthesis, structure and physical studies of the new beta-(Li V O As O4)
 compound
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              250
_journal_page_last               257
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'As Li O5 V'
_chemical_name_systematic        'Li (V O) (As O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5916
_cell_length_b                   6.4713
_cell_length_c                   7.4216
_cell_volume                     364.605
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gaubicher_JSSCBI_2000_1792.cif
_cod_data_source_block           As1Li1O5V1
_cod_original_cell_volume        364.6048
_cod_original_formula_sum        'As1 Li1 O5 V1'
_cod_database_code               1521050
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O4 O-2 0.872 0.455 0.235 1 0.0
O1 O-2 0.119 0.75 0.165 1 0.0
As1 As+5 0.376 0.25 0.128 1 0.0
O3 O-2 0.066 0.25 0.495 1 0.0
Li1 Li+1 0 0 0 1 0.0
V1 V+4 0.326 0.75 0.225 1 0.0
O2 O-2 0.816 0.75 -0.003 1 0.0
