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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525717.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_1525717
loop_
_publ_author_name
'Legagneur, V.'
'Guyomard, D.'
'Liao, J.-H.'
'An, Y.'
'Verbaere, A.'
'le Gal la Salle, A.'
'Piffard, Y.'
_publ_section_title
;
 Li2 Mn (V O3)4 * 2(H2 O) : synthesis, crystal structure, thermal behavior
 and lithium insertion/deinsertion properties
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              161
_journal_page_last               170
_journal_volume                  133
_journal_year                    2000
_chemical_formula_sum            'H4 Li2 Mn O14 V4'
_chemical_name_systematic        'Li2 Mn (V O3)4 (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.38
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.286
_cell_length_b                   3.523
_cell_length_c                   8.164
_cell_volume                     534.835
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Legagneur_SSIOD3_2000_584.cif
_cod_data_source_block           H4Li2Mn1O14V4
_cod_original_cell_volume        534.8346
_cod_original_formula_sum        'H4 Li2 Mn1 O14 V4'
_cod_database_code               1525717
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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 0.0792 0 0.225 1 0.0
Li1 Li+1 0.252 0 0.32 1 0.0
O3 O-2 0.063 0 0.662 1 0.0
O1 O-2 0.1861 0 0.498 1 0.0
O7 O-2 0.2993 0 0.823 1 0.0
V1 V+5 0.0977 0 0.4344 1 0.0
O2 O-2 0.0729 0.5 0.472 1 0.0
O6 O-2 0.1712 0.5 0.815 1 0.0
O5 O-2 0.0495 0.5 0.904 1 0.0
V2 V+5 0.0847 0.5 0.7345 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
