The crystal structure described by LiWP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There are six 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one P(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiP4WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   9.773
_cell_angle_alpha   60.367
_cell_angle_beta   60.367
_cell_angle_gamma   50.554
_symmetry_Int_Tables_number   1
_cell_volume   482.477
_cell_formula_units_Z   2
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  0.689  0.311  0.750  1.0
  Li  Li1  1  0.311  0.689  0.250  1.0
  P  P2  1  0.029  0.685  0.173  1.0
  P  P3  1  0.443  0.295  0.133  1.0
  P  P4  1  0.705  0.557  0.367  1.0
  P  P5  1  0.315  0.971  0.327  1.0
  P  P6  1  0.685  0.029  0.673  1.0
  P  P7  1  0.295  0.443  0.633  1.0
  P  P8  1  0.557  0.705  0.867  1.0
  P  P9  1  0.971  0.315  0.827  1.0
  W  W10  1  0.136  0.864  0.750  1.0
  W  W11  1  0.864  0.136  0.250  1.0
  O  O12  1  0.598  0.195  0.221  1.0
  O  O13  1  0.235  0.475  0.217  1.0
  O  O14  1  0.017  0.737  0.006  1.0
  O  O15  1  0.857  0.637  0.312  1.0
  O  O16  1  0.978  0.163  0.788  1.0
  O  O17  1  0.363  0.143  0.188  1.0
  O  O18  1  0.263  0.983  0.494  1.0
  O  O19  1  0.635  0.507  0.548  1.0
  O  O20  1  0.493  0.365  0.952  1.0
  O  O21  1  0.525  0.765  0.283  1.0
  O  O22  1  0.805  0.402  0.279  1.0
  O  O23  1  0.837  0.022  0.712  1.0
  O  O24  1  0.163  0.978  0.288  1.0
  O  O25  1  0.195  0.598  0.721  1.0
  O  O26  1  0.475  0.235  0.717  1.0
  O  O27  1  0.507  0.635  0.048  1.0
  O  O28  1  0.365  0.493  0.452  1.0
  O  O29  1  0.737  0.017  0.506  1.0
  O  O30  1  0.637  0.857  0.812  1.0
  O  O31  1  0.022  0.837  0.212  1.0
  O  O32  1  0.143  0.363  0.688  1.0
  O  O33  1  0.983  0.263  0.994  1.0
  O  O34  1  0.765  0.525  0.783  1.0
  O  O35  1  0.402  0.805  0.779  1.0
[/CIF]
.
The crystal structure described by LiWP4O12 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-39°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There are six 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(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1), one P(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiP4WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   9.773
_cell_angle_alpha   60.367
_cell_angle_beta   60.367
_cell_angle_gamma   50.554
_symmetry_Int_Tables_number   1
_cell_volume   482.477
_cell_formula_units_Z   2
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  0.689  0.311  0.750  1.0
  Li  Li1  1  0.311  0.689  0.250  1.0
  P  P2  1  0.029  0.685  0.173  1.0
  P  P3  1  0.443  0.295  0.133  1.0
  P  P4  1  0.705  0.557  0.367  1.0
  P  P5  1  0.315  0.971  0.327  1.0
  P  P6  1  0.685  0.029  0.673  1.0
  P  P7  1  0.295  0.443  0.633  1.0
  P  P8  1  0.557  0.705  0.867  1.0
  P  P9  1  0.971  0.315  0.827  1.0
  W  W10  1  0.136  0.864  0.750  1.0
  W  W11  1  0.864  0.136  0.250  1.0
  O  O12  1  0.598  0.195  0.221  1.0
  O  O13  1  0.235  0.475  0.217  1.0
  O  O14  1  0.017  0.737  0.006  1.0
  O  O15  1  0.857  0.637  0.312  1.0
  O  O16  1  0.978  0.163  0.788  1.0
  O  O17  1  0.363  0.143  0.188  1.0
  O  O18  1  0.263  0.983  0.494  1.0
  O  O19  1  0.635  0.507  0.548  1.0
  O  O20  1  0.493  0.365  0.952  1.0
  O  O21  1  0.525  0.765  0.283  1.0
  O  O22  1  0.805  0.402  0.279  1.0
  O  O23  1  0.837  0.022  0.712  1.0
  O  O24  1  0.163  0.978  0.288  1.0
  O  O25  1  0.195  0.598  0.721  1.0
  O  O26  1  0.475  0.235  0.717  1.0
  O  O27  1  0.507  0.635  0.048  1.0
  O  O28  1  0.365  0.493  0.452  1.0
  O  O29  1  0.737  0.017  0.506  1.0
  O  O30  1  0.637  0.857  0.812  1.0
  O  O31  1  0.022  0.837  0.212  1.0
  O  O32  1  0.143  0.363  0.688  1.0
  O  O33  1  0.983  0.263  0.994  1.0
  O  O34  1  0.765  0.525  0.783  1.0
  O  O35  1  0.402  0.805  0.779  1.0
[/CIF]
.