The compound described by LiCr2(MoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(2), one O(3), and two equivalent O(9) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(4), one O(5), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(3), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-57°. In the third Mo site, Mo(3) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(11) atoms to form CrO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cr(1) atoms. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cr(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cr(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(3) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Cr(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cr(1) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the tenth O site, O(8) is bonded in a linear geometry to one Mo(3) and one Cr(1) atom. In the eleventh O site, O(9) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mo(3), and one Cr(2) atom. In the twelfth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(2), and one Cr(2) atom. is represented by the CIF file [CIF]
data_LiCr2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   7.033
_cell_length_c   11.802
_cell_angle_alpha   77.558
_cell_angle_beta   85.657
_cell_angle_gamma   77.878
_symmetry_Int_Tables_number   1
_cell_volume   541.498
_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  0.322  0.563  0.413  1.0
  Li  Li1  1  0.678  0.437  0.587  1.0
  Cr  Cr2  1  0.302  0.165  0.022  1.0
  Cr  Cr3  1  0.698  0.835  0.978  1.0
  Cr  Cr4  1  0.695  0.230  0.372  1.0
  Cr  Cr5  1  0.305  0.770  0.628  1.0
  Mo  Mo6  1  0.746  0.301  0.053  1.0
  Mo  Mo7  1  0.254  0.699  0.947  1.0
  Mo  Mo8  1  0.254  0.092  0.352  1.0
  Mo  Mo9  1  0.746  0.908  0.648  1.0
  Mo  Mo10  1  0.203  0.287  0.687  1.0
  Mo  Mo11  1  0.797  0.713  0.313  1.0
  O  O12  1  0.993  0.200  0.359  1.0
  O  O13  1  0.007  0.800  0.641  1.0
  O  O14  1  0.056  0.639  0.332  1.0
  O  O15  1  0.944  0.361  0.668  1.0
  O  O16  1  0.394  0.269  0.386  1.0
  O  O17  1  0.606  0.731  0.614  1.0
  O  O18  1  0.675  0.319  0.201  1.0
  O  O19  1  0.325  0.681  0.799  1.0
  O  O20  1  0.292  0.459  0.040  1.0
  O  O21  1  0.708  0.541  0.960  1.0
  O  O22  1  0.320  0.052  0.212  1.0
  O  O23  1  0.680  0.948  0.788  1.0
  O  O24  1  0.003  0.189  0.046  1.0
  O  O25  1  0.997  0.811  0.954  1.0
  O  O26  1  0.247  0.247  0.836  1.0
  O  O27  1  0.753  0.753  0.164  1.0
  O  O28  1  0.337  0.485  0.605  1.0
  O  O29  1  0.663  0.515  0.395  1.0
  O  O30  1  0.702  0.150  0.549  1.0
  O  O31  1  0.298  0.850  0.451  1.0
  O  O32  1  0.608  0.142  0.999  1.0
  O  O33  1  0.392  0.858  0.001  1.0
  O  O34  1  0.290  0.054  0.639  1.0
  O  O35  1  0.710  0.946  0.361  1.0
[/CIF]
.
The compound described by LiCr2(MoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(10), one O(2), one O(3), and two equivalent O(9) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(4), one O(5), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(3), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-57°. In the third Mo site, Mo(3) is bonded to one O(12), one O(2), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(11) atoms to form CrO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cr(1) atoms. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cr(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cr(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(3) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mo(2), and one Cr(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cr(1) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the tenth O site, O(8) is bonded in a linear geometry to one Mo(3) and one Cr(1) atom. In the eleventh O site, O(9) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mo(3), and one Cr(2) atom. In the twelfth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(2), and one Cr(2) atom. is represented by the CIF file [CIF]
data_LiCr2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   7.033
_cell_length_c   11.802
_cell_angle_alpha   77.558
_cell_angle_beta   85.657
_cell_angle_gamma   77.878
_symmetry_Int_Tables_number   1
_cell_volume   541.498
_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  0.322  0.563  0.413  1.0
  Li  Li1  1  0.678  0.437  0.587  1.0
  Cr  Cr2  1  0.302  0.165  0.022  1.0
  Cr  Cr3  1  0.698  0.835  0.978  1.0
  Cr  Cr4  1  0.695  0.230  0.372  1.0
  Cr  Cr5  1  0.305  0.770  0.628  1.0
  Mo  Mo6  1  0.746  0.301  0.053  1.0
  Mo  Mo7  1  0.254  0.699  0.947  1.0
  Mo  Mo8  1  0.254  0.092  0.352  1.0
  Mo  Mo9  1  0.746  0.908  0.648  1.0
  Mo  Mo10  1  0.203  0.287  0.687  1.0
  Mo  Mo11  1  0.797  0.713  0.313  1.0
  O  O12  1  0.993  0.200  0.359  1.0
  O  O13  1  0.007  0.800  0.641  1.0
  O  O14  1  0.056  0.639  0.332  1.0
  O  O15  1  0.944  0.361  0.668  1.0
  O  O16  1  0.394  0.269  0.386  1.0
  O  O17  1  0.606  0.731  0.614  1.0
  O  O18  1  0.675  0.319  0.201  1.0
  O  O19  1  0.325  0.681  0.799  1.0
  O  O20  1  0.292  0.459  0.040  1.0
  O  O21  1  0.708  0.541  0.960  1.0
  O  O22  1  0.320  0.052  0.212  1.0
  O  O23  1  0.680  0.948  0.788  1.0
  O  O24  1  0.003  0.189  0.046  1.0
  O  O25  1  0.997  0.811  0.954  1.0
  O  O26  1  0.247  0.247  0.836  1.0
  O  O27  1  0.753  0.753  0.164  1.0
  O  O28  1  0.337  0.485  0.605  1.0
  O  O29  1  0.663  0.515  0.395  1.0
  O  O30  1  0.702  0.150  0.549  1.0
  O  O31  1  0.298  0.850  0.451  1.0
  O  O32  1  0.608  0.142  0.999  1.0
  O  O33  1  0.392  0.858  0.001  1.0
  O  O34  1  0.290  0.054  0.639  1.0
  O  O35  1  0.710  0.946  0.361  1.0
[/CIF]
.