The structure described by LiWP2O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiP2WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   4.868
_cell_length_c   7.039
_cell_angle_alpha   85.949
_cell_angle_beta   85.949
_cell_angle_gamma   66.929
_symmetry_Int_Tables_number   1
_cell_volume   152.903
_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  0.000  0.000  0.000  1.0
  P  P1  1  0.661  0.661  0.271  1.0
  P  P2  1  0.339  0.339  0.729  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.765  0.765  0.452  1.0
  O  O5  1  0.763  0.763  0.087  1.0
  O  O6  1  0.782  0.309  0.298  1.0
  O  O7  1  0.309  0.782  0.298  1.0
  O  O8  1  0.691  0.218  0.702  1.0
  O  O9  1  0.218  0.691  0.702  1.0
  O  O10  1  0.237  0.237  0.913  1.0
  O  O11  1  0.235  0.235  0.548  1.0
[/CIF]
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The structure described by LiWP2O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent O(3) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiP2WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   4.868
_cell_length_c   7.039
_cell_angle_alpha   85.949
_cell_angle_beta   85.949
_cell_angle_gamma   66.929
_symmetry_Int_Tables_number   1
_cell_volume   152.903
_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  0.000  0.000  0.000  1.0
  P  P1  1  0.661  0.661  0.271  1.0
  P  P2  1  0.339  0.339  0.729  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.765  0.765  0.452  1.0
  O  O5  1  0.763  0.763  0.087  1.0
  O  O6  1  0.782  0.309  0.298  1.0
  O  O7  1  0.309  0.782  0.298  1.0
  O  O8  1  0.691  0.218  0.702  1.0
  O  O9  1  0.218  0.691  0.702  1.0
  O  O10  1  0.237  0.237  0.913  1.0
  O  O11  1  0.235  0.235  0.548  1.0
[/CIF]
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