The compound described by Li3Cr3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Cr3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.091
_cell_length_b   10.091
_cell_length_c   10.441
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   36.688
_symmetry_Int_Tables_number   1
_cell_volume   635.159
_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  0.181  0.952  0.048  1.0
  Li  Li1  1  0.466  0.534  0.750  1.0
  Li  Li2  1  0.534  0.466  0.250  1.0
  Li  Li3  1  0.819  0.048  0.952  1.0
  Li  Li4  1  0.048  0.819  0.452  1.0
  Li  Li5  1  0.952  0.181  0.548  1.0
  Cr  Cr6  1  0.366  0.322  0.754  1.0
  Cr  Cr7  1  0.322  0.366  0.254  1.0
  Cr  Cr8  1  0.000  0.500  0.000  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cr  Cr10  1  0.678  0.634  0.746  1.0
  Cr  Cr11  1  0.634  0.678  0.246  1.0
  P  P12  1  0.419  0.746  0.502  1.0
  P  P13  1  0.179  0.220  0.253  1.0
  P  P14  1  0.220  0.179  0.753  1.0
  P  P15  1  0.780  0.821  0.247  1.0
  P  P16  1  0.821  0.780  0.747  1.0
  P  P17  1  0.581  0.254  0.498  1.0
  P  P18  1  0.746  0.419  0.002  1.0
  P  P19  1  0.254  0.581  0.998  1.0
  O  O20  1  0.723  0.768  0.635  1.0
  O  O21  1  0.427  0.400  0.892  1.0
  O  O22  1  0.369  0.475  0.131  1.0
  O  O23  1  0.475  0.369  0.631  1.0
  O  O24  1  0.786  0.171  0.470  1.0
  O  O25  1  0.171  0.786  0.970  1.0
  O  O26  1  0.829  0.214  0.030  1.0
  O  O27  1  0.214  0.829  0.530  1.0
  O  O28  1  0.525  0.631  0.369  1.0
  O  O29  1  0.631  0.525  0.869  1.0
  O  O30  1  0.573  0.600  0.108  1.0
  O  O31  1  0.600  0.573  0.608  1.0
  O  O32  1  0.950  0.350  0.005  1.0
  O  O33  1  0.350  0.950  0.505  1.0
  O  O34  1  0.319  0.987  0.217  1.0
  O  O35  1  0.942  0.369  0.282  1.0
  O  O36  1  0.050  0.650  0.995  1.0
  O  O37  1  0.369  0.942  0.782  1.0
  O  O38  1  0.768  0.723  0.135  1.0
  O  O39  1  0.690  0.795  0.356  1.0
  O  O40  1  0.987  0.319  0.717  1.0
  O  O41  1  0.795  0.690  0.856  1.0
  O  O42  1  0.205  0.310  0.144  1.0
  O  O43  1  0.277  0.232  0.365  1.0
  O  O44  1  0.310  0.205  0.644  1.0
  O  O45  1  0.232  0.277  0.865  1.0
  O  O46  1  0.631  0.058  0.218  1.0
  O  O47  1  0.013  0.681  0.283  1.0
  O  O48  1  0.058  0.631  0.718  1.0
  O  O49  1  0.681  0.013  0.783  1.0
  O  O50  1  0.650  0.050  0.495  1.0
  O  O51  1  0.400  0.427  0.392  1.0
[/CIF]
.
The compound described by Li3Cr3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li3Cr3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.091
_cell_length_b   10.091
_cell_length_c   10.441
_cell_angle_alpha   89.795
_cell_angle_beta   89.795
_cell_angle_gamma   36.688
_symmetry_Int_Tables_number   1
_cell_volume   635.159
_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  0.181  0.952  0.048  1.0
  Li  Li1  1  0.466  0.534  0.750  1.0
  Li  Li2  1  0.534  0.466  0.250  1.0
  Li  Li3  1  0.819  0.048  0.952  1.0
  Li  Li4  1  0.048  0.819  0.452  1.0
  Li  Li5  1  0.952  0.181  0.548  1.0
  Cr  Cr6  1  0.366  0.322  0.754  1.0
  Cr  Cr7  1  0.322  0.366  0.254  1.0
  Cr  Cr8  1  0.000  0.500  0.000  1.0
  Cr  Cr9  1  0.500  0.000  0.500  1.0
  Cr  Cr10  1  0.678  0.634  0.746  1.0
  Cr  Cr11  1  0.634  0.678  0.246  1.0
  P  P12  1  0.419  0.746  0.502  1.0
  P  P13  1  0.179  0.220  0.253  1.0
  P  P14  1  0.220  0.179  0.753  1.0
  P  P15  1  0.780  0.821  0.247  1.0
  P  P16  1  0.821  0.780  0.747  1.0
  P  P17  1  0.581  0.254  0.498  1.0
  P  P18  1  0.746  0.419  0.002  1.0
  P  P19  1  0.254  0.581  0.998  1.0
  O  O20  1  0.723  0.768  0.635  1.0
  O  O21  1  0.427  0.400  0.892  1.0
  O  O22  1  0.369  0.475  0.131  1.0
  O  O23  1  0.475  0.369  0.631  1.0
  O  O24  1  0.786  0.171  0.470  1.0
  O  O25  1  0.171  0.786  0.970  1.0
  O  O26  1  0.829  0.214  0.030  1.0
  O  O27  1  0.214  0.829  0.530  1.0
  O  O28  1  0.525  0.631  0.369  1.0
  O  O29  1  0.631  0.525  0.869  1.0
  O  O30  1  0.573  0.600  0.108  1.0
  O  O31  1  0.600  0.573  0.608  1.0
  O  O32  1  0.950  0.350  0.005  1.0
  O  O33  1  0.350  0.950  0.505  1.0
  O  O34  1  0.319  0.987  0.217  1.0
  O  O35  1  0.942  0.369  0.282  1.0
  O  O36  1  0.050  0.650  0.995  1.0
  O  O37  1  0.369  0.942  0.782  1.0
  O  O38  1  0.768  0.723  0.135  1.0
  O  O39  1  0.690  0.795  0.356  1.0
  O  O40  1  0.987  0.319  0.717  1.0
  O  O41  1  0.795  0.690  0.856  1.0
  O  O42  1  0.205  0.310  0.144  1.0
  O  O43  1  0.277  0.232  0.365  1.0
  O  O44  1  0.310  0.205  0.644  1.0
  O  O45  1  0.232  0.277  0.865  1.0
  O  O46  1  0.631  0.058  0.218  1.0
  O  O47  1  0.013  0.681  0.283  1.0
  O  O48  1  0.058  0.631  0.718  1.0
  O  O49  1  0.681  0.013  0.783  1.0
  O  O50  1  0.650  0.050  0.495  1.0
  O  O51  1  0.400  0.427  0.392  1.0
[/CIF]
.