data_global
_amcsd_formula_title 'LiMnVO4'
loop_
_publ_author_name
'Sugahara M'
'Yoshiasa A'
'Yamanaka T'
'Takei H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i161
_journal_page_last i163
_publ_section_title
;
 LiMnVO4
;
_database_code_amcsd 0010414
_chemical_formula_sum 'Li Mn V O4'
_cell_length_a 5.7640
_cell_length_b 8.7418
_cell_length_c 6.3629
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 320.612
_exptl_crystal_density_diffrn      3.663
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_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_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
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