#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310690.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310690
loop_
_publ_author_name
'Wadsley, A.D.'
_publ_section_title
;
 Crystal chemistry of non-stoichiometric pentavalent vanadium O crystal
 structure of Li(1+X) V3 O8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              261
_journal_page_last               267
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Li O8 V3'
_chemical_name_systematic        'Li V3 O8'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.68
_cell_length_b                   3.6
_cell_length_c                   12.03
_cell_volume                     275.402
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wadsley_ACCRA9_1957_232.cif
_cod_data_source_block           Li1O8V3
_cod_original_cell_volume        275.4022
_cod_original_formula_sum        'Li1 O8 V3'
_cod_database_code               2310690
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
O3 O-2 0.796 0.25 0.675 1 0.0
V2 V+5 0.204 0.25 0.077 1 0.0
O6 O-2 0.286 0.25 0.956 1 0.0
V3 V+5 0.069 0.25 0.802 1 0.0
O2 O-2 0.879 0.25 0.928 1 0.0
Li1 Li+1 0.494 0.25 0.69 1 0.0
O4 O-2 0.422 0.25 0.188 1 0.0
O8 O-2 0.992 0.25 0.175 1 0.0
O7 O-2 0.225 0.25 0.725 1 0.0
V1 V+5 0.839 0.25 0.536 1 0.0
O1 O-2 0.075 0.25 0.458 1 0.0
O5 O-2 0.616 0.25 0.438 1 0.0
