The crystal structure described by Li3WP2O8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3P2WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   6.268
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   66.970
_symmetry_Int_Tables_number   1
_cell_volume   149.271
_cell_formula_units_Z   1
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  0.668  0.668  0.719  1.0
  Li  Li1  1  0.991  0.009  0.500  1.0
  Li  Li2  1  0.332  0.332  0.281  1.0
  P  P3  1  0.649  0.649  0.235  1.0
  P  P4  1  0.351  0.351  0.765  1.0
  W  W5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.243  0.243  0.572  1.0
  O  O7  1  0.255  0.255  0.977  1.0
  O  O8  1  0.311  0.756  0.238  1.0
  O  O9  1  0.756  0.311  0.238  1.0
  O  O10  1  0.244  0.689  0.762  1.0
  O  O11  1  0.689  0.244  0.762  1.0
  O  O12  1  0.745  0.745  0.023  1.0
  O  O13  1  0.757  0.757  0.428  1.0
[/CIF]
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The crystal structure described by Li3WP2O8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent W(1)O6 octahedra. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O6 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3P2WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.087
_cell_length_c   6.268
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   66.970
_symmetry_Int_Tables_number   1
_cell_volume   149.271
_cell_formula_units_Z   1
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  0.668  0.668  0.719  1.0
  Li  Li1  1  0.991  0.009  0.500  1.0
  Li  Li2  1  0.332  0.332  0.281  1.0
  P  P3  1  0.649  0.649  0.235  1.0
  P  P4  1  0.351  0.351  0.765  1.0
  W  W5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.243  0.243  0.572  1.0
  O  O7  1  0.255  0.255  0.977  1.0
  O  O8  1  0.311  0.756  0.238  1.0
  O  O9  1  0.756  0.311  0.238  1.0
  O  O10  1  0.244  0.689  0.762  1.0
  O  O11  1  0.689  0.244  0.762  1.0
  O  O12  1  0.745  0.745  0.023  1.0
  O  O13  1  0.757  0.757  0.428  1.0
[/CIF]
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