The crystal structure described by LiCr(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cr(1) 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 Cr(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.022
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   101.530
_cell_angle_beta   90.580
_cell_angle_gamma   90.580
_symmetry_Int_Tables_number   1
_cell_volume   271.051
_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  0.250  0.838  0.162  1.0
  Li  Li1  1  0.750  0.162  0.838  1.0
  Cr  Cr2  1  0.750  0.676  0.324  1.0
  Cr  Cr3  1  0.250  0.324  0.676  1.0
  W  W4  1  0.256  0.837  0.661  1.0
  W  W5  1  0.244  0.339  0.163  1.0
  W  W6  1  0.744  0.163  0.339  1.0
  W  W7  1  0.756  0.661  0.837  1.0
  O  O8  1  0.581  0.696  0.576  1.0
  O  O9  1  0.919  0.424  0.304  1.0
  O  O10  1  0.419  0.304  0.424  1.0
  O  O11  1  0.081  0.576  0.696  1.0
  O  O12  1  0.087  0.799  0.435  1.0
  O  O13  1  0.413  0.565  0.201  1.0
  O  O14  1  0.913  0.201  0.565  1.0
  O  O15  1  0.587  0.435  0.799  1.0
  O  O16  1  0.557  0.195  0.097  1.0
  O  O17  1  0.943  0.903  0.805  1.0
  O  O18  1  0.443  0.805  0.902  1.0
  O  O19  1  0.057  0.098  0.195  1.0
  O  O20  1  0.110  0.318  0.929  1.0
  O  O21  1  0.390  0.071  0.682  1.0
  O  O22  1  0.890  0.682  0.071  1.0
  O  O23  1  0.610  0.929  0.318  1.0
[/CIF]
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The crystal structure described by LiCr(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cr(1) 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 Cr(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.022
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   101.530
_cell_angle_beta   90.580
_cell_angle_gamma   90.580
_symmetry_Int_Tables_number   1
_cell_volume   271.051
_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  0.250  0.838  0.162  1.0
  Li  Li1  1  0.750  0.162  0.838  1.0
  Cr  Cr2  1  0.750  0.676  0.324  1.0
  Cr  Cr3  1  0.250  0.324  0.676  1.0
  W  W4  1  0.256  0.837  0.661  1.0
  W  W5  1  0.244  0.339  0.163  1.0
  W  W6  1  0.744  0.163  0.339  1.0
  W  W7  1  0.756  0.661  0.837  1.0
  O  O8  1  0.581  0.696  0.576  1.0
  O  O9  1  0.919  0.424  0.304  1.0
  O  O10  1  0.419  0.304  0.424  1.0
  O  O11  1  0.081  0.576  0.696  1.0
  O  O12  1  0.087  0.799  0.435  1.0
  O  O13  1  0.413  0.565  0.201  1.0
  O  O14  1  0.913  0.201  0.565  1.0
  O  O15  1  0.587  0.435  0.799  1.0
  O  O16  1  0.557  0.195  0.097  1.0
  O  O17  1  0.943  0.903  0.805  1.0
  O  O18  1  0.443  0.805  0.902  1.0
  O  O19  1  0.057  0.098  0.195  1.0
  O  O20  1  0.110  0.318  0.929  1.0
  O  O21  1  0.390  0.071  0.682  1.0
  O  O22  1  0.890  0.682  0.071  1.0
  O  O23  1  0.610  0.929  0.318  1.0
[/CIF]
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