The material structure described by LiVAsO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. As(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. is represented by the CIF file [CIF]
data_LiVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   7.466
_cell_length_c   7.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.346
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.750  0.228  0.331  1.0
  V  V5  1  0.250  0.728  0.169  1.0
  V  V6  1  0.750  0.272  0.831  1.0
  V  V7  1  0.250  0.772  0.669  1.0
  As  As8  1  0.750  0.873  0.624  1.0
  As  As9  1  0.750  0.627  0.124  1.0
  As  As10  1  0.250  0.373  0.876  1.0
  As  As11  1  0.250  0.127  0.376  1.0
  O  O12  1  0.750  0.999  0.814  1.0
  O  O13  1  0.955  0.733  0.627  1.0
  O  O14  1  0.455  0.267  0.373  1.0
  O  O15  1  0.045  0.233  0.873  1.0
  O  O16  1  0.545  0.767  0.127  1.0
  O  O17  1  0.045  0.267  0.373  1.0
  O  O18  1  0.545  0.733  0.627  1.0
  O  O19  1  0.955  0.767  0.127  1.0
  O  O20  1  0.750  0.173  0.115  1.0
  O  O21  1  0.250  0.827  0.885  1.0
  O  O22  1  0.250  0.673  0.385  1.0
  O  O23  1  0.750  0.327  0.615  1.0
  O  O24  1  0.455  0.233  0.873  1.0
  O  O25  1  0.250  0.001  0.186  1.0
  O  O26  1  0.250  0.006  0.565  1.0
  O  O27  1  0.750  0.501  0.314  1.0
  O  O28  1  0.250  0.494  0.065  1.0
  O  O29  1  0.750  0.506  0.935  1.0
  O  O30  1  0.750  0.994  0.435  1.0
  O  O31  1  0.250  0.499  0.686  1.0
[/CIF]
.
The material structure described by LiVAsO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Li(1)O6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. As(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one As(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one As(1) atom. is represented by the CIF file [CIF]
data_LiVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   7.466
_cell_length_c   7.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.346
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  V  V4  1  0.750  0.228  0.331  1.0
  V  V5  1  0.250  0.728  0.169  1.0
  V  V6  1  0.750  0.272  0.831  1.0
  V  V7  1  0.250  0.772  0.669  1.0
  As  As8  1  0.750  0.873  0.624  1.0
  As  As9  1  0.750  0.627  0.124  1.0
  As  As10  1  0.250  0.373  0.876  1.0
  As  As11  1  0.250  0.127  0.376  1.0
  O  O12  1  0.750  0.999  0.814  1.0
  O  O13  1  0.955  0.733  0.627  1.0
  O  O14  1  0.455  0.267  0.373  1.0
  O  O15  1  0.045  0.233  0.873  1.0
  O  O16  1  0.545  0.767  0.127  1.0
  O  O17  1  0.045  0.267  0.373  1.0
  O  O18  1  0.545  0.733  0.627  1.0
  O  O19  1  0.955  0.767  0.127  1.0
  O  O20  1  0.750  0.173  0.115  1.0
  O  O21  1  0.250  0.827  0.885  1.0
  O  O22  1  0.250  0.673  0.385  1.0
  O  O23  1  0.750  0.327  0.615  1.0
  O  O24  1  0.455  0.233  0.873  1.0
  O  O25  1  0.250  0.001  0.186  1.0
  O  O26  1  0.250  0.006  0.565  1.0
  O  O27  1  0.750  0.501  0.314  1.0
  O  O28  1  0.250  0.494  0.065  1.0
  O  O29  1  0.750  0.506  0.935  1.0
  O  O30  1  0.750  0.994  0.435  1.0
  O  O31  1  0.250  0.499  0.686  1.0
[/CIF]
.