The material described by LiWP4O12 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(6), one O(8), and one O(9) atom. W(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-50°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP4WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   6.973
_cell_length_c   7.481
_cell_angle_alpha   83.703
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.813
_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  0.482  0.697  0.681  1.0
  Li  Li1  1  0.982  0.303  0.319  1.0
  P  P2  1  0.884  0.963  0.605  1.0
  P  P3  1  0.169  0.927  0.089  1.0
  P  P4  1  0.019  0.575  0.617  1.0
  P  P5  1  0.353  0.576  0.053  1.0
  P  P6  1  0.853  0.424  0.947  1.0
  P  P7  1  0.519  0.425  0.383  1.0
  P  P8  1  0.669  0.073  0.911  1.0
  P  P9  1  0.384  0.037  0.395  1.0
  W  W10  1  0.819  0.745  0.244  1.0
  W  W11  1  0.319  0.255  0.756  1.0
  O  O12  1  0.798  0.996  0.788  1.0
  O  O13  1  0.185  0.036  0.907  1.0
  O  O14  1  0.775  0.872  0.486  1.0
  O  O15  1  0.018  0.927  0.180  1.0
  O  O16  1  0.007  0.793  0.670  1.0
  O  O17  1  0.464  0.859  0.465  1.0
  O  O18  1  0.203  0.701  0.076  1.0
  O  O19  1  0.466  0.683  0.936  1.0
  O  O20  1  0.977  0.565  0.420  1.0
  O  O21  1  0.808  0.621  0.994  1.0
  O  O22  1  0.895  0.457  0.735  1.0
  O  O23  1  0.173  0.501  0.668  1.0
  O  O24  1  0.673  0.499  0.332  1.0
  O  O25  1  0.395  0.543  0.265  1.0
  O  O26  1  0.308  0.379  0.006  1.0
  O  O27  1  0.477  0.435  0.580  1.0
  O  O28  1  0.966  0.317  0.064  1.0
  O  O29  1  0.703  0.299  0.924  1.0
  O  O30  1  0.964  0.141  0.535  1.0
  O  O31  1  0.507  0.207  0.330  1.0
  O  O32  1  0.518  0.073  0.820  1.0
  O  O33  1  0.275  0.128  0.514  1.0
  O  O34  1  0.685  0.964  0.093  1.0
  O  O35  1  0.298  0.004  0.212  1.0
[/CIF]
.
The material described by LiWP4O12 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(6), one O(8), and one O(9) atom. W(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-50°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP4WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   6.973
_cell_length_c   7.481
_cell_angle_alpha   83.703
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   462.813
_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  0.482  0.697  0.681  1.0
  Li  Li1  1  0.982  0.303  0.319  1.0
  P  P2  1  0.884  0.963  0.605  1.0
  P  P3  1  0.169  0.927  0.089  1.0
  P  P4  1  0.019  0.575  0.617  1.0
  P  P5  1  0.353  0.576  0.053  1.0
  P  P6  1  0.853  0.424  0.947  1.0
  P  P7  1  0.519  0.425  0.383  1.0
  P  P8  1  0.669  0.073  0.911  1.0
  P  P9  1  0.384  0.037  0.395  1.0
  W  W10  1  0.819  0.745  0.244  1.0
  W  W11  1  0.319  0.255  0.756  1.0
  O  O12  1  0.798  0.996  0.788  1.0
  O  O13  1  0.185  0.036  0.907  1.0
  O  O14  1  0.775  0.872  0.486  1.0
  O  O15  1  0.018  0.927  0.180  1.0
  O  O16  1  0.007  0.793  0.670  1.0
  O  O17  1  0.464  0.859  0.465  1.0
  O  O18  1  0.203  0.701  0.076  1.0
  O  O19  1  0.466  0.683  0.936  1.0
  O  O20  1  0.977  0.565  0.420  1.0
  O  O21  1  0.808  0.621  0.994  1.0
  O  O22  1  0.895  0.457  0.735  1.0
  O  O23  1  0.173  0.501  0.668  1.0
  O  O24  1  0.673  0.499  0.332  1.0
  O  O25  1  0.395  0.543  0.265  1.0
  O  O26  1  0.308  0.379  0.006  1.0
  O  O27  1  0.477  0.435  0.580  1.0
  O  O28  1  0.966  0.317  0.064  1.0
  O  O29  1  0.703  0.299  0.924  1.0
  O  O30  1  0.964  0.141  0.535  1.0
  O  O31  1  0.507  0.207  0.330  1.0
  O  O32  1  0.518  0.073  0.820  1.0
  O  O33  1  0.275  0.128  0.514  1.0
  O  O34  1  0.685  0.964  0.093  1.0
  O  O35  1  0.298  0.004  0.212  1.0
[/CIF]
.