The compound described by Li2W2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing LiO4 tetrahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1) and two equivalent W(2) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2W2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   7.038
_cell_length_c   8.315
_cell_angle_alpha   69.729
_cell_angle_beta   77.545
_cell_angle_gamma   85.024
_symmetry_Int_Tables_number   1
_cell_volume   271.523
_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  0.858  0.999  0.733  1.0
  Li  Li1  1  0.142  0.001  0.267  1.0
  Li  Li2  1  0.692  0.259  0.097  1.0
  Li  Li3  1  0.308  0.741  0.903  1.0
  W  W4  1  0.301  0.247  0.823  1.0
  W  W5  1  0.699  0.753  0.177  1.0
  W  W6  1  0.187  0.452  0.335  1.0
  W  W7  1  0.813  0.548  0.665  1.0
  O  O8  1  0.051  0.607  0.130  1.0
  O  O9  1  0.949  0.393  0.870  1.0
  O  O10  1  0.352  0.752  0.300  1.0
  O  O11  1  0.648  0.248  0.700  1.0
  O  O12  1  0.823  0.979  0.180  1.0
  O  O13  1  0.177  0.021  0.820  1.0
  O  O14  1  0.820  0.585  0.424  1.0
  O  O15  1  0.180  0.415  0.576  1.0
  O  O16  1  0.079  0.211  0.368  1.0
  O  O17  1  0.921  0.789  0.632  1.0
  O  O18  1  0.357  0.185  0.038  1.0
  O  O19  1  0.643  0.815  0.962  1.0
  O  O20  1  0.541  0.438  0.233  1.0
  O  O21  1  0.459  0.562  0.767  1.0
[/CIF]
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The compound described by Li2W2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing LiO4 tetrahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and two equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1) and two equivalent W(2) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2W2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   7.038
_cell_length_c   8.315
_cell_angle_alpha   69.729
_cell_angle_beta   77.545
_cell_angle_gamma   85.024
_symmetry_Int_Tables_number   1
_cell_volume   271.523
_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  0.858  0.999  0.733  1.0
  Li  Li1  1  0.142  0.001  0.267  1.0
  Li  Li2  1  0.692  0.259  0.097  1.0
  Li  Li3  1  0.308  0.741  0.903  1.0
  W  W4  1  0.301  0.247  0.823  1.0
  W  W5  1  0.699  0.753  0.177  1.0
  W  W6  1  0.187  0.452  0.335  1.0
  W  W7  1  0.813  0.548  0.665  1.0
  O  O8  1  0.051  0.607  0.130  1.0
  O  O9  1  0.949  0.393  0.870  1.0
  O  O10  1  0.352  0.752  0.300  1.0
  O  O11  1  0.648  0.248  0.700  1.0
  O  O12  1  0.823  0.979  0.180  1.0
  O  O13  1  0.177  0.021  0.820  1.0
  O  O14  1  0.820  0.585  0.424  1.0
  O  O15  1  0.180  0.415  0.576  1.0
  O  O16  1  0.079  0.211  0.368  1.0
  O  O17  1  0.921  0.789  0.632  1.0
  O  O18  1  0.357  0.185  0.038  1.0
  O  O19  1  0.643  0.815  0.962  1.0
  O  O20  1  0.541  0.438  0.233  1.0
  O  O21  1  0.459  0.562  0.767  1.0
[/CIF]
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