The material described by LiP3(WO6)2 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. There are two 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 bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiP3(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.876
_cell_length_c   8.876
_cell_angle_alpha   59.798
_cell_angle_beta   59.798
_cell_angle_gamma   59.798
_symmetry_Int_Tables_number   1
_cell_volume   492.239
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.541  0.959  1.0
  P  P3  1  0.459  0.041  0.750  1.0
  P  P4  1  0.041  0.750  0.459  1.0
  P  P5  1  0.959  0.250  0.541  1.0
  P  P6  1  0.541  0.959  0.250  1.0
  P  P7  1  0.750  0.459  0.041  1.0
  W  W8  1  0.641  0.641  0.641  1.0
  W  W9  1  0.859  0.859  0.859  1.0
  W  W10  1  0.141  0.141  0.141  1.0
  W  W11  1  0.359  0.359  0.359  1.0
  O  O12  1  0.412  0.559  0.772  1.0
  O  O13  1  0.228  0.588  0.441  1.0
  O  O14  1  0.506  0.116  0.304  1.0
  O  O15  1  0.384  0.994  0.196  1.0
  O  O16  1  0.088  0.728  0.941  1.0
  O  O17  1  0.272  0.059  0.912  1.0
  O  O18  1  0.441  0.228  0.588  1.0
  O  O19  1  0.696  0.494  0.884  1.0
  O  O20  1  0.006  0.804  0.616  1.0
  O  O21  1  0.804  0.616  0.006  1.0
  O  O22  1  0.884  0.696  0.494  1.0
  O  O23  1  0.059  0.912  0.272  1.0
  O  O24  1  0.941  0.088  0.728  1.0
  O  O25  1  0.116  0.304  0.506  1.0
  O  O26  1  0.196  0.384  0.994  1.0
  O  O27  1  0.304  0.506  0.116  1.0
  O  O28  1  0.994  0.196  0.384  1.0
  O  O29  1  0.559  0.772  0.412  1.0
  O  O30  1  0.728  0.941  0.088  1.0
  O  O31  1  0.912  0.272  0.059  1.0
  O  O32  1  0.494  0.884  0.696  1.0
  O  O33  1  0.616  0.006  0.804  1.0
  O  O34  1  0.772  0.412  0.559  1.0
  O  O35  1  0.588  0.441  0.228  1.0
[/CIF]
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The material described by LiP3(WO6)2 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. There are two 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 bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiP3(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.876
_cell_length_b   8.876
_cell_length_c   8.876
_cell_angle_alpha   59.798
_cell_angle_beta   59.798
_cell_angle_gamma   59.798
_symmetry_Int_Tables_number   1
_cell_volume   492.239
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.541  0.959  1.0
  P  P3  1  0.459  0.041  0.750  1.0
  P  P4  1  0.041  0.750  0.459  1.0
  P  P5  1  0.959  0.250  0.541  1.0
  P  P6  1  0.541  0.959  0.250  1.0
  P  P7  1  0.750  0.459  0.041  1.0
  W  W8  1  0.641  0.641  0.641  1.0
  W  W9  1  0.859  0.859  0.859  1.0
  W  W10  1  0.141  0.141  0.141  1.0
  W  W11  1  0.359  0.359  0.359  1.0
  O  O12  1  0.412  0.559  0.772  1.0
  O  O13  1  0.228  0.588  0.441  1.0
  O  O14  1  0.506  0.116  0.304  1.0
  O  O15  1  0.384  0.994  0.196  1.0
  O  O16  1  0.088  0.728  0.941  1.0
  O  O17  1  0.272  0.059  0.912  1.0
  O  O18  1  0.441  0.228  0.588  1.0
  O  O19  1  0.696  0.494  0.884  1.0
  O  O20  1  0.006  0.804  0.616  1.0
  O  O21  1  0.804  0.616  0.006  1.0
  O  O22  1  0.884  0.696  0.494  1.0
  O  O23  1  0.059  0.912  0.272  1.0
  O  O24  1  0.941  0.088  0.728  1.0
  O  O25  1  0.116  0.304  0.506  1.0
  O  O26  1  0.196  0.384  0.994  1.0
  O  O27  1  0.304  0.506  0.116  1.0
  O  O28  1  0.994  0.196  0.384  1.0
  O  O29  1  0.559  0.772  0.412  1.0
  O  O30  1  0.728  0.941  0.088  1.0
  O  O31  1  0.912  0.272  0.059  1.0
  O  O32  1  0.494  0.884  0.696  1.0
  O  O33  1  0.616  0.006  0.804  1.0
  O  O34  1  0.772  0.412  0.559  1.0
  O  O35  1  0.588  0.441  0.228  1.0
[/CIF]
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