The material structure described by LiFeWO4Cl crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one Cl(1), and one Cl(2) atom to form distorted LiCl2O4 octahedra that share  a cornercorner with one Fe(1)Cl2O4 octahedra,  a cornercorner with one Fe(2)Cl2O4 octahedra, corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, edges with two equivalent Li(1)Cl2O4 octahedra,  a faceface with one Fe(1)Cl2O4 octahedra, and  a faceface with one Fe(2)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, and corners with four equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the second W site, W(2) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, and corners with four equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 24-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(6), 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 two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-63°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent Cl(2) atoms to form distorted FeCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 8-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one W(2), and one Fe(1) atom to form distorted OLi2FeW trigonal pyramids that share  a cornercorner with one Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2FeW trigonal pyramids, and  a faceface with one Cl(1)Li2Fe2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one W(1), and one Fe(2) atom to form distorted OLi2FeW trigonal pyramids that share  a cornercorner with one Cl(2)Li2Fe2 tetrahedra, corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one Cl(2)Li2Fe2 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one W(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Fe(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra,  a cornercorner with one O(1)Li2FeW trigonal pyramid, corners with two equivalent O(2)Li2FeW trigonal pyramids, and  a faceface with one O(1)Li2FeW trigonal pyramid. In the second Cl site, Cl(2) is bonded to two equivalent Li(1) and two equivalent Fe(2) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra,  a cornercorner with one O(2)Li2FeW trigonal pyramid, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one O(2)Li2FeW trigonal pyramid. is represented by the CIF card [CIF]
data_LiFeWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   7.085
_cell_length_c   7.167
_cell_angle_alpha   89.995
_cell_angle_beta   92.247
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   260.455
_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  0.001  0.994  0.995  1.0
  Li  Li1  1  0.001  0.506  0.995  1.0
  Fe  Fe2  1  0.685  0.250  0.748  1.0
  Fe  Fe3  1  0.316  0.750  0.250  1.0
  W  W4  1  0.500  0.750  0.765  1.0
  W  W5  1  0.499  0.250  0.236  1.0
  Cl  Cl6  1  0.191  0.250  0.779  1.0
  Cl  Cl7  1  0.810  0.750  0.225  1.0
  O  O8  1  0.746  0.250  0.059  1.0
  O  O9  1  0.246  0.750  0.939  1.0
  O  O10  1  0.660  0.250  0.464  1.0
  O  O11  1  0.345  0.750  0.537  1.0
  O  O12  1  0.294  0.041  0.209  1.0
  O  O13  1  0.706  0.958  0.795  1.0
  O  O14  1  0.706  0.542  0.795  1.0
  O  O15  1  0.294  0.459  0.209  1.0
[/CIF]
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The material structure described by LiFeWO4Cl crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one Cl(1), and one Cl(2) atom to form distorted LiCl2O4 octahedra that share  a cornercorner with one Fe(1)Cl2O4 octahedra,  a cornercorner with one Fe(2)Cl2O4 octahedra, corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, edges with two equivalent Li(1)Cl2O4 octahedra,  a faceface with one Fe(1)Cl2O4 octahedra, and  a faceface with one Fe(2)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, and corners with four equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the second W site, W(2) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, and corners with four equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 24-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(6), 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 two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 10-63°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent Cl(2) atoms to form distorted FeCl2O4 octahedra that share corners with two equivalent Li(1)Cl2O4 octahedra, corners with two equivalent Fe(2)Cl2O4 octahedra, corners with two equivalent W(1)O4 tetrahedra, corners with two equivalent W(2)O4 tetrahedra, and faces with two equivalent Li(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 8-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one W(2), and one Fe(1) atom to form distorted OLi2FeW trigonal pyramids that share  a cornercorner with one Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra, corners with two equivalent O(2)Li2FeW trigonal pyramids, and  a faceface with one Cl(1)Li2Fe2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one W(1), and one Fe(2) atom to form distorted OLi2FeW trigonal pyramids that share  a cornercorner with one Cl(2)Li2Fe2 tetrahedra, corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one Cl(2)Li2Fe2 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one W(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one Fe(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra,  a cornercorner with one O(1)Li2FeW trigonal pyramid, corners with two equivalent O(2)Li2FeW trigonal pyramids, and  a faceface with one O(1)Li2FeW trigonal pyramid. In the second Cl site, Cl(2) is bonded to two equivalent Li(1) and two equivalent Fe(2) atoms to form distorted ClLi2Fe2 tetrahedra that share corners with two equivalent Cl(1)Li2Fe2 tetrahedra, corners with two equivalent Cl(2)Li2Fe2 tetrahedra,  a cornercorner with one O(2)Li2FeW trigonal pyramid, corners with two equivalent O(1)Li2FeW trigonal pyramids, and  a faceface with one O(2)Li2FeW trigonal pyramid. is represented by the CIF card [CIF]
data_LiFeWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   7.085
_cell_length_c   7.167
_cell_angle_alpha   89.995
_cell_angle_beta   92.247
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   260.455
_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  0.001  0.994  0.995  1.0
  Li  Li1  1  0.001  0.506  0.995  1.0
  Fe  Fe2  1  0.685  0.250  0.748  1.0
  Fe  Fe3  1  0.316  0.750  0.250  1.0
  W  W4  1  0.500  0.750  0.765  1.0
  W  W5  1  0.499  0.250  0.236  1.0
  Cl  Cl6  1  0.191  0.250  0.779  1.0
  Cl  Cl7  1  0.810  0.750  0.225  1.0
  O  O8  1  0.746  0.250  0.059  1.0
  O  O9  1  0.246  0.750  0.939  1.0
  O  O10  1  0.660  0.250  0.464  1.0
  O  O11  1  0.345  0.750  0.537  1.0
  O  O12  1  0.294  0.041  0.209  1.0
  O  O13  1  0.706  0.958  0.795  1.0
  O  O14  1  0.706  0.542  0.795  1.0
  O  O15  1  0.294  0.459  0.209  1.0
[/CIF]
.