The material structure described by Li2WCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form WO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. P(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are six 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 distorted single-bond geometry to two equivalent Li(1), one W(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Li2PWCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.690
_cell_length_b   4.998
_cell_length_c   8.815
_cell_angle_alpha   84.609
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.428
_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  0.980  0.257  0.779  1.0
  Li  Li1  1  0.020  0.743  0.221  1.0
  Li  Li2  1  0.480  0.743  0.221  1.0
  Li  Li3  1  0.520  0.257  0.779  1.0
  P  P4  1  0.250  0.230  0.408  1.0
  P  P5  1  0.750  0.770  0.592  1.0
  W  W6  1  0.750  0.290  0.344  1.0
  W  W7  1  0.250  0.710  0.656  1.0
  C  C8  1  0.750  0.210  0.055  1.0
  C  C9  1  0.250  0.790  0.945  1.0
  O  O10  1  0.934  0.656  0.682  1.0
  O  O11  1  0.750  0.448  0.106  1.0
  O  O12  1  0.250  0.993  0.835  1.0
  O  O13  1  0.750  0.007  0.165  1.0
  O  O14  1  0.566  0.656  0.682  1.0
  O  O15  1  0.750  0.681  0.428  1.0
  O  O16  1  0.250  0.552  0.894  1.0
  O  O17  1  0.434  0.344  0.318  1.0
  O  O18  1  0.066  0.344  0.318  1.0
  O  O19  1  0.250  0.916  0.422  1.0
  O  O20  1  0.750  0.172  0.915  1.0
  O  O21  1  0.250  0.828  0.085  1.0
  O  O22  1  0.750  0.084  0.578  1.0
  O  O23  1  0.250  0.319  0.572  1.0
[/CIF]
.
The material structure described by Li2WCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form WO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. P(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. There are six 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 distorted single-bond geometry to two equivalent Li(1), one W(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. is represented by the CIF card [CIF]
data_Li2PWCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.690
_cell_length_b   4.998
_cell_length_c   8.815
_cell_angle_alpha   84.609
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.428
_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  0.980  0.257  0.779  1.0
  Li  Li1  1  0.020  0.743  0.221  1.0
  Li  Li2  1  0.480  0.743  0.221  1.0
  Li  Li3  1  0.520  0.257  0.779  1.0
  P  P4  1  0.250  0.230  0.408  1.0
  P  P5  1  0.750  0.770  0.592  1.0
  W  W6  1  0.750  0.290  0.344  1.0
  W  W7  1  0.250  0.710  0.656  1.0
  C  C8  1  0.750  0.210  0.055  1.0
  C  C9  1  0.250  0.790  0.945  1.0
  O  O10  1  0.934  0.656  0.682  1.0
  O  O11  1  0.750  0.448  0.106  1.0
  O  O12  1  0.250  0.993  0.835  1.0
  O  O13  1  0.750  0.007  0.165  1.0
  O  O14  1  0.566  0.656  0.682  1.0
  O  O15  1  0.750  0.681  0.428  1.0
  O  O16  1  0.250  0.552  0.894  1.0
  O  O17  1  0.434  0.344  0.318  1.0
  O  O18  1  0.066  0.344  0.318  1.0
  O  O19  1  0.250  0.916  0.422  1.0
  O  O20  1  0.750  0.172  0.915  1.0
  O  O21  1  0.250  0.828  0.085  1.0
  O  O22  1  0.750  0.084  0.578  1.0
  O  O23  1  0.250  0.319  0.572  1.0
[/CIF]
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