data_2006833
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  1727
_journal_page_last  1728
_publ_section_title
;
Lithium Vanadium Metasilicate, LiVSi~2~O~6~
;
loop_
_publ_author_name
  'Satto, Christine'
  'Millet, Patrice'
  'Galy, Jean'
_chemical_formula_moiety  ' C0 H0 V1 Si2 O6 Li1 '
_chemical_formula_sum  'Li1 O6 Si2 V1'
_chemical_formula_iupac  'Li1 V1 Si2 O6'
_chemical_formula_weight  210.04
_symmetry_cell_setting  'Monoclinic '
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc '
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'x+1/2,y+1/2,z'
  '-x+1/2,-y+1/2,-z'
  '-x,y,-z+1/2'
  'x,-y,z+1/2'
  '-x+1/2,y+1/2,-z+1/2'
  'x+1/2,-y+1/2,z+1/2'
_cell_length_a  9.634(4)
_cell_length_b  8.586(2)
_cell_length_c  5.304(2)
_cell_angle_alpha  90.000
_cell_angle_beta  109.69(3)
_cell_angle_gamma  90.000
_cell_volume  413.1(2)
_cell_formula_units_Z  4.00
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.38
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0189
_refine_ls_wR_factor_obs  .0162
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
  V1  .0000  .09408(4)  .2500  .0042 Uani 1.0000
  Si1  .20309(5)  .40936(5)  .23099(9)  .0047 Uani 1.0000
  O1  -.11680(10)
  .08640(10)
  -.1559(2)  .0058 Uani 1.0000
  O2  .13110(10)
  .24030(10)
  .1729(3)  .0090 Uani 1.0000
  O3  .14430(10)
  .5026(2)  .4418(2)  .0089 Uani 1.0000
  Li1  .0000  .7343(6)  .2500  .0169 Uani 1.0000
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
  V1  .0041(2)  .0034(2)  .0053(2)  .0000  .00160(10)
  .0000
  Si1  .0044(2)  .0046(2)  .0053(2)  -.00070(10)
  .0016(2)  -.00030(10)
  O1  .0048(5)  .0060(5)  .0066(5)  .0010(4)  .0014(4)  .0000(4)
  O2  .0101(6)  .0079(6)  .0115(6)  -.0030(4)  .0047(5)  -.0013(4)
  O3  .0068(6)  .0142(6)  .0086(5)  .0000(5)  .0026(4)  -.0041(5)
  Li1  .019(2)  .016(2)  .016(2)  .0000  .006(2)  .0000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  V1 O1 . . 2.0670(10)
  yes
  V1 O1 . 2_555 2.0720(10)
  yes
  V1 O1 . 5_555 2.0670(10)
  no
  V1 O1 . 6_555 2.0720(10)
  no
  V1 O2 . . 1.9200(10)
  yes
  V1 O2 . 5_555 1.9200(10)
  no
  Si1 O1 . 8_555 1.6340(10)
  yes
  Si1 O2 . . 1.5930(10)
  yes
  Si1 O3 . . 1.6250(10)
  yes
  Si1 O3 . 6_564 1.6310(10)
  yes
  Li1 O1 . 6_565 2.065(4) yes
  Li1 O1 . 2_565 2.065(4) no
  Li1 O2 . 6_565 2.1840(10)
  yes
  Li1 O2 . 2_565 2.1840(10)
  no
  Li1 O3 . . 2.444(4) yes
  Li1 O3 . 5_555 2.444(4) no
  V1 V1 . 2_555 3.1050(10)
  yes
  Si1 Si1 . 6_565 3.0750(10)
  yes