The crystal structure described by LiWP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(17), and one O(22) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(23), one O(4), and one O(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(16), one O(18), one O(24), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second W site, W(2) is bonded to one O(11), one O(14), one O(19), one O(26), one O(3), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(19), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second P site, P(2) is bonded to one O(1), one O(24), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-40°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth P site, P(4) is bonded to one O(10), one O(15), one O(16), and one O(7) 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(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(17), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the sixth P site, P(6) is bonded to one O(13), one O(15), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the seventh P site, P(7) is bonded to one O(20), one O(21), one O(26), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-42°. In the eighth P site, P(8) is bonded to one O(18), one O(22), one O(25), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are twenty-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 bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one W(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one W(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one W(1) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(2) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one W(1) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP4WO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   8.092
_cell_length_c   14.022
_cell_angle_alpha   78.800
_cell_angle_beta   85.844
_cell_angle_gamma   80.102
_symmetry_Int_Tables_number   1
_cell_volume   574.427
_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  0.556  0.461  0.998  1.0
  Li  Li1  1  0.010  0.609  0.514  1.0
  P  P2  1  0.127  0.797  0.129  1.0
  P  P3  1  0.997  0.879  0.655  1.0
  P  P4  1  0.348  0.581  0.313  1.0
  P  P5  1  0.307  0.654  0.804  1.0
  P  P6  1  0.674  0.341  0.205  1.0
  P  P7  1  0.637  0.427  0.679  1.0
  P  P8  1  0.985  0.102  0.351  1.0
  P  P9  1  0.865  0.207  0.859  1.0
  W  W10  1  0.432  0.049  0.754  1.0
  W  W11  1  0.556  0.949  0.240  1.0
  O  O12  1  0.162  0.016  0.667  1.0
  O  O13  1  0.172  0.638  0.220  1.0
  O  O14  1  0.271  0.017  0.329  1.0
  O  O15  1  0.193  0.558  0.405  1.0
  O  O16  1  0.164  0.740  0.035  1.0
  O  O17  1  0.059  0.797  0.569  1.0
  O  O18  1  0.031  0.735  0.757  1.0
  O  O19  1  0.159  0.129  0.844  1.0
  O  O20  1  0.299  0.927  0.146  1.0
  O  O21  1  0.301  0.512  0.887  1.0
  O  O22  1  0.541  0.198  0.181  1.0
  O  O23  1  0.506  0.400  0.297  1.0
  O  O24  1  0.456  0.293  0.685  1.0
  O  O25  1  0.550  0.703  0.304  1.0
  O  O26  1  0.468  0.596  0.709  1.0
  O  O27  1  0.430  0.805  0.822  1.0
  O  O28  1  0.693  0.482  0.121  1.0
  O  O29  1  0.707  0.072  0.840  1.0
  O  O30  1  0.840  0.881  0.152  1.0
  O  O31  1  0.943  0.254  0.252  1.0
  O  O32  1  0.938  0.168  0.442  1.0
  O  O33  1  0.800  0.270  0.952  1.0
  O  O34  1  0.774  0.478  0.586  1.0
  O  O35  1  0.707  0.962  0.666  1.0
  O  O36  1  0.835  0.362  0.766  1.0
  O  O37  1  0.814  0.970  0.335  1.0
[/CIF]
.
The crystal structure described by LiWP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(17), and one O(22) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(23), one O(4), and one O(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(16), one O(18), one O(24), and one O(8) atom to form WO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second W site, W(2) is bonded to one O(11), one O(14), one O(19), one O(26), one O(3), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(19), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second P site, P(2) is bonded to one O(1), one O(24), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-40°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth P site, P(4) is bonded to one O(10), one O(15), one O(16), and one O(7) 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(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the fifth P site, P(5) is bonded to one O(11), one O(12), one O(17), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the sixth P site, P(6) is bonded to one O(13), one O(15), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the seventh P site, P(7) is bonded to one O(20), one O(21), one O(26), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent W(2)O6 octahedra and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-42°. In the eighth P site, P(8) is bonded to one O(18), one O(22), one O(25), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-40°. There are twenty-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 bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one W(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one W(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one W(1) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(2) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one W(1) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one P(6) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiP4WO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   8.092
_cell_length_c   14.022
_cell_angle_alpha   78.800
_cell_angle_beta   85.844
_cell_angle_gamma   80.102
_symmetry_Int_Tables_number   1
_cell_volume   574.427
_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  0.556  0.461  0.998  1.0
  Li  Li1  1  0.010  0.609  0.514  1.0
  P  P2  1  0.127  0.797  0.129  1.0
  P  P3  1  0.997  0.879  0.655  1.0
  P  P4  1  0.348  0.581  0.313  1.0
  P  P5  1  0.307  0.654  0.804  1.0
  P  P6  1  0.674  0.341  0.205  1.0
  P  P7  1  0.637  0.427  0.679  1.0
  P  P8  1  0.985  0.102  0.351  1.0
  P  P9  1  0.865  0.207  0.859  1.0
  W  W10  1  0.432  0.049  0.754  1.0
  W  W11  1  0.556  0.949  0.240  1.0
  O  O12  1  0.162  0.016  0.667  1.0
  O  O13  1  0.172  0.638  0.220  1.0
  O  O14  1  0.271  0.017  0.329  1.0
  O  O15  1  0.193  0.558  0.405  1.0
  O  O16  1  0.164  0.740  0.035  1.0
  O  O17  1  0.059  0.797  0.569  1.0
  O  O18  1  0.031  0.735  0.757  1.0
  O  O19  1  0.159  0.129  0.844  1.0
  O  O20  1  0.299  0.927  0.146  1.0
  O  O21  1  0.301  0.512  0.887  1.0
  O  O22  1  0.541  0.198  0.181  1.0
  O  O23  1  0.506  0.400  0.297  1.0
  O  O24  1  0.456  0.293  0.685  1.0
  O  O25  1  0.550  0.703  0.304  1.0
  O  O26  1  0.468  0.596  0.709  1.0
  O  O27  1  0.430  0.805  0.822  1.0
  O  O28  1  0.693  0.482  0.121  1.0
  O  O29  1  0.707  0.072  0.840  1.0
  O  O30  1  0.840  0.881  0.152  1.0
  O  O31  1  0.943  0.254  0.252  1.0
  O  O32  1  0.938  0.168  0.442  1.0
  O  O33  1  0.800  0.270  0.952  1.0
  O  O34  1  0.774  0.478  0.586  1.0
  O  O35  1  0.707  0.962  0.666  1.0
  O  O36  1  0.835  0.362  0.766  1.0
  O  O37  1  0.814  0.970  0.335  1.0
[/CIF]
.