The compound described by LiWP2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_LiP2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.466
_cell_length_c   4.583
_cell_angle_alpha   82.183
_cell_angle_beta   82.183
_cell_angle_gamma   103.721
_symmetry_Int_Tables_number   1
_cell_volume   129.731
_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  0.087  0.913  0.000  1.0
  P  P1  1  0.584  0.004  0.414  1.0
  P  P2  1  0.996  0.416  0.586  1.0
  W  W3  1  0.459  0.541  0.000  1.0
  O  O4  1  0.410  0.865  0.713  1.0
  O  O5  1  0.451  0.176  0.247  1.0
  O  O6  1  0.689  0.827  0.221  1.0
  O  O7  1  0.173  0.311  0.779  1.0
  O  O8  1  0.135  0.590  0.287  1.0
  O  O9  1  0.840  0.160  0.500  1.0
  O  O10  1  0.824  0.549  0.753  1.0
[/CIF]
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The compound described by LiWP2O7 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two 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), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_LiP2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   5.466
_cell_length_c   4.583
_cell_angle_alpha   82.183
_cell_angle_beta   82.183
_cell_angle_gamma   103.721
_symmetry_Int_Tables_number   1
_cell_volume   129.731
_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  0.087  0.913  0.000  1.0
  P  P1  1  0.584  0.004  0.414  1.0
  P  P2  1  0.996  0.416  0.586  1.0
  W  W3  1  0.459  0.541  0.000  1.0
  O  O4  1  0.410  0.865  0.713  1.0
  O  O5  1  0.451  0.176  0.247  1.0
  O  O6  1  0.689  0.827  0.221  1.0
  O  O7  1  0.173  0.311  0.779  1.0
  O  O8  1  0.135  0.590  0.287  1.0
  O  O9  1  0.840  0.160  0.500  1.0
  O  O10  1  0.824  0.549  0.753  1.0
[/CIF]
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