The crystal structure described by LiAsO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   6.848
_cell_length_c   6.848
_cell_angle_alpha   84.997
_cell_angle_beta   75.411
_cell_angle_gamma   75.411
_symmetry_Int_Tables_number   1
_cell_volume   229.160
_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  0.750  0.212  0.788  1.0
  Li  Li1  1  0.750  0.896  0.104  1.0
  Li  Li2  1  0.250  0.788  0.212  1.0
  Li  Li3  1  0.250  0.104  0.896  1.0
  As  As4  1  0.263  0.611  0.804  1.0
  As  As5  1  0.737  0.389  0.196  1.0
  As  As6  1  0.237  0.196  0.389  1.0
  As  As7  1  0.763  0.804  0.611  1.0
  O  O8  1  0.517  0.673  0.600  1.0
  O  O9  1  0.360  0.035  0.202  1.0
  O  O10  1  0.876  0.879  0.377  1.0
  O  O11  1  0.483  0.327  0.400  1.0
  O  O12  1  0.140  0.798  0.965  1.0
  O  O13  1  0.124  0.121  0.623  1.0
  O  O14  1  0.860  0.202  0.035  1.0
  O  O15  1  0.983  0.400  0.327  1.0
  O  O16  1  0.376  0.377  0.879  1.0
  O  O17  1  0.017  0.600  0.673  1.0
  O  O18  1  0.640  0.965  0.798  1.0
  O  O19  1  0.624  0.623  0.121  1.0
[/CIF]
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The crystal structure described by LiAsO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with two equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   6.848
_cell_length_c   6.848
_cell_angle_alpha   84.997
_cell_angle_beta   75.411
_cell_angle_gamma   75.411
_symmetry_Int_Tables_number   1
_cell_volume   229.160
_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  0.750  0.212  0.788  1.0
  Li  Li1  1  0.750  0.896  0.104  1.0
  Li  Li2  1  0.250  0.788  0.212  1.0
  Li  Li3  1  0.250  0.104  0.896  1.0
  As  As4  1  0.263  0.611  0.804  1.0
  As  As5  1  0.737  0.389  0.196  1.0
  As  As6  1  0.237  0.196  0.389  1.0
  As  As7  1  0.763  0.804  0.611  1.0
  O  O8  1  0.517  0.673  0.600  1.0
  O  O9  1  0.360  0.035  0.202  1.0
  O  O10  1  0.876  0.879  0.377  1.0
  O  O11  1  0.483  0.327  0.400  1.0
  O  O12  1  0.140  0.798  0.965  1.0
  O  O13  1  0.124  0.121  0.623  1.0
  O  O14  1  0.860  0.202  0.035  1.0
  O  O15  1  0.983  0.400  0.327  1.0
  O  O16  1  0.376  0.377  0.879  1.0
  O  O17  1  0.017  0.600  0.673  1.0
  O  O18  1  0.640  0.965  0.798  1.0
  O  O19  1  0.624  0.623  0.121  1.0
[/CIF]
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