The crystal structure described by LiCr(MoO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-45°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 39-62°. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.826
_cell_length_b   7.238
_cell_length_c   7.528
_cell_angle_alpha   91.450
_cell_angle_beta   110.334
_cell_angle_gamma   104.894
_symmetry_Int_Tables_number   1
_cell_volume   334.289
_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  0.730  0.049  0.755  1.0
  Li  Li1  1  0.270  0.951  0.245  1.0
  Cr  Cr2  1  0.089  0.400  0.678  1.0
  Cr  Cr3  1  0.911  0.600  0.322  1.0
  Mo  Mo4  1  0.675  0.530  0.788  1.0
  Mo  Mo5  1  0.325  0.471  0.212  1.0
  Mo  Mo6  1  0.168  0.924  0.717  1.0
  Mo  Mo7  1  0.832  0.076  0.283  1.0
  O  O8  1  0.071  0.661  0.608  1.0
  O  O9  1  0.929  0.339  0.392  1.0
  O  O10  1  0.247  0.921  0.962  1.0
  O  O11  1  0.753  0.079  0.038  1.0
  O  O12  1  0.383  0.445  0.660  1.0
  O  O13  1  0.617  0.555  0.340  1.0
  O  O14  1  0.745  0.533  0.041  1.0
  O  O15  1  0.255  0.467  0.958  1.0
  O  O16  1  0.017  0.112  0.662  1.0
  O  O17  1  0.983  0.888  0.338  1.0
  O  O18  1  0.807  0.366  0.719  1.0
  O  O19  1  0.193  0.634  0.281  1.0
  O  O20  1  0.776  0.768  0.747  1.0
  O  O21  1  0.224  0.232  0.253  1.0
  O  O22  1  0.409  0.017  0.676  1.0
  O  O23  1  0.591  0.983  0.324  1.0
[/CIF]
.
The crystal structure described by LiCr(MoO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-45°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 39-62°. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.826
_cell_length_b   7.238
_cell_length_c   7.528
_cell_angle_alpha   91.450
_cell_angle_beta   110.334
_cell_angle_gamma   104.894
_symmetry_Int_Tables_number   1
_cell_volume   334.289
_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  0.730  0.049  0.755  1.0
  Li  Li1  1  0.270  0.951  0.245  1.0
  Cr  Cr2  1  0.089  0.400  0.678  1.0
  Cr  Cr3  1  0.911  0.600  0.322  1.0
  Mo  Mo4  1  0.675  0.530  0.788  1.0
  Mo  Mo5  1  0.325  0.471  0.212  1.0
  Mo  Mo6  1  0.168  0.924  0.717  1.0
  Mo  Mo7  1  0.832  0.076  0.283  1.0
  O  O8  1  0.071  0.661  0.608  1.0
  O  O9  1  0.929  0.339  0.392  1.0
  O  O10  1  0.247  0.921  0.962  1.0
  O  O11  1  0.753  0.079  0.038  1.0
  O  O12  1  0.383  0.445  0.660  1.0
  O  O13  1  0.617  0.555  0.340  1.0
  O  O14  1  0.745  0.533  0.041  1.0
  O  O15  1  0.255  0.467  0.958  1.0
  O  O16  1  0.017  0.112  0.662  1.0
  O  O17  1  0.983  0.888  0.338  1.0
  O  O18  1  0.807  0.366  0.719  1.0
  O  O19  1  0.193  0.634  0.281  1.0
  O  O20  1  0.776  0.768  0.747  1.0
  O  O21  1  0.224  0.232  0.253  1.0
  O  O22  1  0.409  0.017  0.676  1.0
  O  O23  1  0.591  0.983  0.324  1.0
[/CIF]
.