The crystal structure described by LiP(WO4)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(16), one O(3), one O(4), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(13), and one O(8) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent W(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(13), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with three equivalent W(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the third W site, W(3) is bonded to one O(16), one O(4), one O(6), one O(7), and two equivalent O(15) atoms to form WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(9) atom to form WO6 octahedra that share corners with three equivalent W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, and corners with two equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the second P site, P(2) is bonded to one O(14), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-42°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one W(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one W(3) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one W(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one W(2) and one W(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one W(2) and one W(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one W(4) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(2), one W(2), and one W(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one W(4) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent W(3) atoms. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one W(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   6.803
_cell_length_c   17.982
_cell_angle_alpha   89.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.137
_cell_formula_units_Z   4
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  0.793  0.758  0.797  1.0
  Li  Li1  1  0.782  0.752  0.295  1.0
  Li  Li2  1  0.282  0.248  0.705  1.0
  Li  Li3  1  0.293  0.242  0.203  1.0
  P  P4  1  0.222  0.804  0.693  1.0
  P  P5  1  0.221  0.699  0.190  1.0
  P  P6  1  0.721  0.301  0.810  1.0
  P  P7  1  0.722  0.196  0.307  1.0
  W  W8  1  0.236  0.005  0.875  1.0
  W  W9  1  0.731  0.840  0.453  1.0
  W  W10  1  0.729  0.660  0.953  1.0
  W  W11  1  0.226  0.497  0.373  1.0
  W  W12  1  0.726  0.503  0.627  1.0
  W  W13  1  0.229  0.340  0.047  1.0
  W  W14  1  0.231  0.160  0.547  1.0
  W  W15  1  0.736  0.995  0.125  1.0
  O  O16  1  0.237  0.996  0.647  1.0
  O  O17  1  0.974  0.995  0.496  1.0
  O  O18  1  0.190  0.865  0.775  1.0
  O  O19  1  0.530  0.848  0.889  1.0
  O  O20  1  0.408  0.850  0.161  1.0
  O  O21  1  0.736  0.837  0.043  1.0
  O  O22  1  0.014  0.797  0.912  1.0
  O  O23  1  0.952  0.785  0.189  1.0
  O  O24  1  0.980  0.693  0.677  1.0
  O  O25  1  0.483  0.676  0.408  1.0
  O  O26  1  0.727  0.662  0.544  1.0
  O  O27  1  0.455  0.677  0.685  1.0
  O  O28  1  0.967  0.679  0.393  1.0
  O  O29  1  0.282  0.648  0.272  1.0
  O  O30  1  0.457  0.524  0.990  1.0
  O  O31  1  0.234  0.503  0.147  1.0
  O  O32  1  0.734  0.497  0.853  1.0
  O  O33  1  0.957  0.476  0.010  1.0
  O  O34  1  0.782  0.352  0.728  1.0
  O  O35  1  0.467  0.321  0.607  1.0
  O  O36  1  0.955  0.323  0.315  1.0
  O  O37  1  0.227  0.338  0.456  1.0
  O  O38  1  0.983  0.324  0.592  1.0
  O  O39  1  0.480  0.307  0.323  1.0
  O  O40  1  0.452  0.215  0.811  1.0
  O  O41  1  0.514  0.203  0.088  1.0
  O  O42  1  0.236  0.163  0.957  1.0
  O  O43  1  0.908  0.150  0.839  1.0
  O  O44  1  0.030  0.152  0.111  1.0
  O  O45  1  0.690  0.135  0.225  1.0
  O  O46  1  0.474  0.005  0.504  1.0
  O  O47  1  0.737  0.004  0.353  1.0
[/CIF]
.
The crystal structure described by LiP(WO4)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(16), one O(3), one O(4), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(13), and one O(8) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with three equivalent W(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second W site, W(2) is bonded to one O(1), one O(10), one O(11), one O(13), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with three equivalent W(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the third W site, W(3) is bonded to one O(16), one O(4), one O(6), one O(7), and two equivalent O(15) atoms to form WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(9) atom to form WO6 octahedra that share corners with three equivalent W(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra, and corners with two equivalent W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the second P site, P(2) is bonded to one O(14), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-42°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one W(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one W(3) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one W(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one W(2) and one W(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one W(2) and one W(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one W(4) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(2), one W(2), and one W(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one W(4) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent W(3) atoms. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one W(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   6.803
_cell_length_c   17.982
_cell_angle_alpha   89.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   661.137
_cell_formula_units_Z   4
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  0.793  0.758  0.797  1.0
  Li  Li1  1  0.782  0.752  0.295  1.0
  Li  Li2  1  0.282  0.248  0.705  1.0
  Li  Li3  1  0.293  0.242  0.203  1.0
  P  P4  1  0.222  0.804  0.693  1.0
  P  P5  1  0.221  0.699  0.190  1.0
  P  P6  1  0.721  0.301  0.810  1.0
  P  P7  1  0.722  0.196  0.307  1.0
  W  W8  1  0.236  0.005  0.875  1.0
  W  W9  1  0.731  0.840  0.453  1.0
  W  W10  1  0.729  0.660  0.953  1.0
  W  W11  1  0.226  0.497  0.373  1.0
  W  W12  1  0.726  0.503  0.627  1.0
  W  W13  1  0.229  0.340  0.047  1.0
  W  W14  1  0.231  0.160  0.547  1.0
  W  W15  1  0.736  0.995  0.125  1.0
  O  O16  1  0.237  0.996  0.647  1.0
  O  O17  1  0.974  0.995  0.496  1.0
  O  O18  1  0.190  0.865  0.775  1.0
  O  O19  1  0.530  0.848  0.889  1.0
  O  O20  1  0.408  0.850  0.161  1.0
  O  O21  1  0.736  0.837  0.043  1.0
  O  O22  1  0.014  0.797  0.912  1.0
  O  O23  1  0.952  0.785  0.189  1.0
  O  O24  1  0.980  0.693  0.677  1.0
  O  O25  1  0.483  0.676  0.408  1.0
  O  O26  1  0.727  0.662  0.544  1.0
  O  O27  1  0.455  0.677  0.685  1.0
  O  O28  1  0.967  0.679  0.393  1.0
  O  O29  1  0.282  0.648  0.272  1.0
  O  O30  1  0.457  0.524  0.990  1.0
  O  O31  1  0.234  0.503  0.147  1.0
  O  O32  1  0.734  0.497  0.853  1.0
  O  O33  1  0.957  0.476  0.010  1.0
  O  O34  1  0.782  0.352  0.728  1.0
  O  O35  1  0.467  0.321  0.607  1.0
  O  O36  1  0.955  0.323  0.315  1.0
  O  O37  1  0.227  0.338  0.456  1.0
  O  O38  1  0.983  0.324  0.592  1.0
  O  O39  1  0.480  0.307  0.323  1.0
  O  O40  1  0.452  0.215  0.811  1.0
  O  O41  1  0.514  0.203  0.088  1.0
  O  O42  1  0.236  0.163  0.957  1.0
  O  O43  1  0.908  0.150  0.839  1.0
  O  O44  1  0.030  0.152  0.111  1.0
  O  O45  1  0.690  0.135  0.225  1.0
  O  O46  1  0.474  0.005  0.504  1.0
  O  O47  1  0.737  0.004  0.353  1.0
[/CIF]
.