The material structure described by Li2Fe(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form WO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second W site, W(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form WO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent W(1)O4 tetrahedra, and corners with two equivalent W(2)O4 tetrahedra. There are eight 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 Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one W(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one W(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one W(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   7.197
_cell_length_c   5.609
_cell_angle_alpha   90.373
_cell_angle_beta   101.343
_cell_angle_gamma   90.082
_symmetry_Int_Tables_number   1
_cell_volume   220.949
_cell_formula_units_Z   1
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  0.265  0.245  0.272  1.0
  Li  Li1  1  0.758  0.755  0.754  1.0
  Fe  Fe2  1  0.269  0.747  0.251  1.0
  W  W3  1  0.782  0.502  0.273  1.0
  W  W4  1  0.247  0.001  0.749  1.0
  O  O5  1  0.908  0.689  0.105  1.0
  O  O6  1  0.332  0.214  0.629  1.0
  O  O7  1  0.889  0.550  0.586  1.0
  O  O8  1  0.314  0.994  0.089  1.0
  O  O9  1  0.929  0.965  0.646  1.0
  O  O10  1  0.441  0.501  0.212  1.0
  O  O11  1  0.912  0.287  0.203  1.0
  O  O12  1  0.403  0.811  0.614  1.0
[/CIF]
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The material structure described by Li2Fe(WO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form WO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. In the second W site, W(2) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form WO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Fe(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent W(1)O4 tetrahedra, and corners with two equivalent W(2)O4 tetrahedra. There are eight 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 Fe(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one W(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one W(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(2), one W(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Fe(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   7.197
_cell_length_c   5.609
_cell_angle_alpha   90.373
_cell_angle_beta   101.343
_cell_angle_gamma   90.082
_symmetry_Int_Tables_number   1
_cell_volume   220.949
_cell_formula_units_Z   1
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  0.265  0.245  0.272  1.0
  Li  Li1  1  0.758  0.755  0.754  1.0
  Fe  Fe2  1  0.269  0.747  0.251  1.0
  W  W3  1  0.782  0.502  0.273  1.0
  W  W4  1  0.247  0.001  0.749  1.0
  O  O5  1  0.908  0.689  0.105  1.0
  O  O6  1  0.332  0.214  0.629  1.0
  O  O7  1  0.889  0.550  0.586  1.0
  O  O8  1  0.314  0.994  0.089  1.0
  O  O9  1  0.929  0.965  0.646  1.0
  O  O10  1  0.441  0.501  0.212  1.0
  O  O11  1  0.912  0.287  0.203  1.0
  O  O12  1  0.403  0.811  0.614  1.0
[/CIF]
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