The structure described by LiFeWO4Cl crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted LiCl2O4 octahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, edges with two equivalent Li(1)Cl2O4 octahedra, and faces with two equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 64°. W(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with four equivalent Li(1)Cl2O4 octahedra and corners with four equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 23-56°. Fe(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra, corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 9-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one W(1), and one Fe(1) atom to form distorted OLi2FeW trigonal pyramids that share corners with three equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one Cl(1)Li2Fe2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Fe(1) atom. Cl(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with four equivalent Cl(1)Li2Fe2 tetrahedra, corners with three equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one O(1)Li2FeW trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   7.028
_cell_length_c   7.239
_cell_angle_alpha   89.990
_cell_angle_beta   91.875
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   260.292
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.000  0.500  1.000  1.0
  Fe  Fe2  1  0.315  0.750  0.253  1.0
  Fe  Fe3  1  0.684  0.250  0.748  1.0
  W  W4  1  0.501  0.250  0.237  1.0
  W  W5  1  0.499  0.750  0.763  1.0
  Cl  Cl6  1  0.190  0.250  0.776  1.0
  Cl  Cl7  1  0.810  0.750  0.224  1.0
  O  O8  1  0.754  0.250  0.064  1.0
  O  O9  1  0.246  0.750  0.936  1.0
  O  O10  1  0.657  0.250  0.462  1.0
  O  O11  1  0.343  0.750  0.538  1.0
  O  O12  1  0.295  0.039  0.208  1.0
  O  O13  1  0.705  0.961  0.792  1.0
  O  O14  1  0.705  0.539  0.792  1.0
  O  O15  1  0.295  0.461  0.208  1.0
[/CIF]
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The structure described by LiFeWO4Cl crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted LiCl2O4 octahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, edges with two equivalent Li(1)Cl2O4 octahedra, and faces with two equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 64°. W(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with four equivalent Li(1)Cl2O4 octahedra and corners with four equivalent Fe(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 23-56°. Fe(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent Cl(1) atoms to form distorted FeCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra, corners with two equivalent Fe(1)Cl2O4 octahedra, corners with four equivalent W(1)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 9-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one W(1), and one Fe(1) atom to form distorted OLi2FeW trigonal pyramids that share corners with three equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one Cl(1)Li2Fe2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Fe(1) atom. Cl(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with four equivalent Cl(1)Li2Fe2 tetrahedra, corners with three equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one O(1)Li2FeW trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   7.028
_cell_length_c   7.239
_cell_angle_alpha   89.990
_cell_angle_beta   91.875
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   260.292
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.000  0.500  1.000  1.0
  Fe  Fe2  1  0.315  0.750  0.253  1.0
  Fe  Fe3  1  0.684  0.250  0.748  1.0
  W  W4  1  0.501  0.250  0.237  1.0
  W  W5  1  0.499  0.750  0.763  1.0
  Cl  Cl6  1  0.190  0.250  0.776  1.0
  Cl  Cl7  1  0.810  0.750  0.224  1.0
  O  O8  1  0.754  0.250  0.064  1.0
  O  O9  1  0.246  0.750  0.936  1.0
  O  O10  1  0.657  0.250  0.462  1.0
  O  O11  1  0.343  0.750  0.538  1.0
  O  O12  1  0.295  0.039  0.208  1.0
  O  O13  1  0.705  0.961  0.792  1.0
  O  O14  1  0.705  0.539  0.792  1.0
  O  O15  1  0.295  0.461  0.208  1.0
[/CIF]
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