#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007956.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007956
loop_
_publ_author_name
'Sugahara, M.'
'Yoshiasa, A.'
'Yamanaka, T.'
'Takei, H.'
_publ_section_title
;
 LiMnVO4
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i161
_journal_page_last               i163
_journal_paper_doi               10.1107/S1600536803023742
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     LiMnVO4
_chemical_formula_sum            'Li Mn O4 V'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7640
_cell_length_b                   8.7418
_cell_length_c                   6.3629
_cell_formula_units_Z            4
_cell_volume                     320.612
_exptl_crystal_density_diffrn    3.663
_cod_original_formula_sum        'Li Mn V O4'
_cod_database_code               9007956
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li 0.03300 0.01830 0.02100 0.00000 0.00000 0.00000
Mn 0.00905 0.00916 0.00747 0.00000 0.00000 0.00023
V 0.00621 0.00740 0.00766 0.00000 0.00000 0.00000
O1 0.00970 0.01220 0.01070 -0.00300 0.00000 0.00000
O2 0.01330 0.01090 0.01070 0.00000 0.00000 -0.00230
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li 0.00000 0.66370 0.25000 0.02410
Mn 0.00000 0.00000 0.00000 0.00856
V 0.00000 0.35663 0.25000 0.00709
O1 0.24050 0.47975 0.25000 0.01086
O2 0.00000 0.24600 0.03228 0.01164
_cod_duplicate_entry 2202307
