The compound described by Li3Cr3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(2), one O(3), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(1)O5 square pyramid, corners with two equivalent Cr(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O5 square pyramid, corners with two equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(14), and one O(6) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form CrO5 square pyramids that share  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(12), one O(16), one O(4), one O(7), and one O(8) atom to form CrO5 square pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(15), one O(16), one O(3), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Cr(1)O5 square pyramid,  a cornercorner with one Cr(2)O5 square pyramid, and corners with two equivalent Li(1)O5 square pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Cr(1)O5 square pyramid,  a cornercorner with one Cr(2)O5 square pyramid, and corners with two equivalent Li(2)O5 square pyramids. In the third P site, P(3) is bonded to one O(12), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with two equivalent Cr(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O5 square pyramid, corners with two equivalent Cr(1)O5 square pyramids, and  an edgeedge with one Li(2)O5 square pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(3), one Cr(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Cr3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.302
_cell_length_b   6.226
_cell_length_c   8.471
_cell_angle_alpha   78.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   583.771
_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  0.610  0.647  0.071  1.0
  Li  Li1  1  0.892  0.142  0.061  1.0
  Li  Li2  1  0.302  0.602  0.347  1.0
  Li  Li3  1  0.802  0.398  0.653  1.0
  Li  Li4  1  0.110  0.353  0.929  1.0
  Li  Li5  1  0.392  0.858  0.939  1.0
  Cr  Cr6  1  0.915  0.578  0.281  1.0
  Cr  Cr7  1  0.591  0.100  0.274  1.0
  Cr  Cr8  1  0.186  0.124  0.338  1.0
  Cr  Cr9  1  0.686  0.876  0.662  1.0
  Cr  Cr10  1  0.415  0.422  0.719  1.0
  Cr  Cr11  1  0.091  0.900  0.726  1.0
  P  P12  1  0.374  0.365  0.085  1.0
  P  P13  1  0.131  0.870  0.099  1.0
  P  P14  1  0.586  0.574  0.404  1.0
  P  P15  1  0.909  0.041  0.399  1.0
  P  P16  1  0.086  0.426  0.596  1.0
  P  P17  1  0.409  0.959  0.601  1.0
  P  P18  1  0.874  0.635  0.915  1.0
  P  P19  1  0.631  0.130  0.901  1.0
  O  O20  1  0.438  0.579  0.082  1.0
  O  O21  1  0.818  0.650  0.080  1.0
  O  O22  1  0.069  0.090  0.099  1.0
  O  O23  1  0.686  0.148  0.067  1.0
  O  O24  1  0.056  0.660  0.157  1.0
  O  O25  1  0.268  0.359  0.204  1.0
  O  O26  1  0.449  0.155  0.150  1.0
  O  O27  1  0.633  0.394  0.316  1.0
  O  O28  1  0.913  0.264  0.281  1.0
  O  O29  1  0.231  0.875  0.225  1.0
  O  O30  1  0.880  0.877  0.292  1.0
  O  O31  1  0.581  0.785  0.270  1.0
  O  O32  1  0.177  0.387  0.466  1.0
  O  O33  1  0.463  0.510  0.482  1.0
  O  O34  1  0.307  0.960  0.481  1.0
  O  O35  1  0.963  0.490  0.518  1.0
  O  O36  1  0.034  0.991  0.484  1.0
  O  O37  1  0.677  0.613  0.534  1.0
  O  O38  1  0.534  0.009  0.516  1.0
  O  O39  1  0.807  0.040  0.519  1.0
  O  O40  1  0.413  0.736  0.719  1.0
  O  O41  1  0.133  0.606  0.684  1.0
  O  O42  1  0.768  0.641  0.796  1.0
  O  O43  1  0.081  0.215  0.730  1.0
  O  O44  1  0.380  0.123  0.708  1.0
  O  O45  1  0.556  0.340  0.843  1.0
  O  O46  1  0.731  0.125  0.775  1.0
  O  O47  1  0.949  0.845  0.850  1.0
  O  O48  1  0.318  0.350  0.920  1.0
  O  O49  1  0.938  0.421  0.918  1.0
  O  O50  1  0.186  0.852  0.933  1.0
  O  O51  1  0.569  0.910  0.901  1.0
[/CIF]
.
The compound described by Li3Cr3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(2), one O(3), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(1)O5 square pyramid, corners with two equivalent Cr(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one P(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Cr(2)O5 square pyramid, corners with two equivalent Cr(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(14), and one O(6) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form CrO5 square pyramids that share  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(12), one O(16), one O(4), one O(7), and one O(8) atom to form CrO5 square pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(15), one O(16), one O(3), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Cr(1)O5 square pyramid,  a cornercorner with one Cr(2)O5 square pyramid, and corners with two equivalent Li(1)O5 square pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Cr(1)O5 square pyramid,  a cornercorner with one Cr(2)O5 square pyramid, and corners with two equivalent Li(2)O5 square pyramids. In the third P site, P(3) is bonded to one O(12), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O5 square pyramid, corners with two equivalent Cr(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O5 square pyramid, corners with two equivalent Cr(1)O5 square pyramids, and  an edgeedge with one Li(2)O5 square pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(3), one Cr(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Cr(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(4) atom. is represented by the CIF card [CIF]
data_Li3Cr3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.302
_cell_length_b   6.226
_cell_length_c   8.471
_cell_angle_alpha   78.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   583.771
_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  0.610  0.647  0.071  1.0
  Li  Li1  1  0.892  0.142  0.061  1.0
  Li  Li2  1  0.302  0.602  0.347  1.0
  Li  Li3  1  0.802  0.398  0.653  1.0
  Li  Li4  1  0.110  0.353  0.929  1.0
  Li  Li5  1  0.392  0.858  0.939  1.0
  Cr  Cr6  1  0.915  0.578  0.281  1.0
  Cr  Cr7  1  0.591  0.100  0.274  1.0
  Cr  Cr8  1  0.186  0.124  0.338  1.0
  Cr  Cr9  1  0.686  0.876  0.662  1.0
  Cr  Cr10  1  0.415  0.422  0.719  1.0
  Cr  Cr11  1  0.091  0.900  0.726  1.0
  P  P12  1  0.374  0.365  0.085  1.0
  P  P13  1  0.131  0.870  0.099  1.0
  P  P14  1  0.586  0.574  0.404  1.0
  P  P15  1  0.909  0.041  0.399  1.0
  P  P16  1  0.086  0.426  0.596  1.0
  P  P17  1  0.409  0.959  0.601  1.0
  P  P18  1  0.874  0.635  0.915  1.0
  P  P19  1  0.631  0.130  0.901  1.0
  O  O20  1  0.438  0.579  0.082  1.0
  O  O21  1  0.818  0.650  0.080  1.0
  O  O22  1  0.069  0.090  0.099  1.0
  O  O23  1  0.686  0.148  0.067  1.0
  O  O24  1  0.056  0.660  0.157  1.0
  O  O25  1  0.268  0.359  0.204  1.0
  O  O26  1  0.449  0.155  0.150  1.0
  O  O27  1  0.633  0.394  0.316  1.0
  O  O28  1  0.913  0.264  0.281  1.0
  O  O29  1  0.231  0.875  0.225  1.0
  O  O30  1  0.880  0.877  0.292  1.0
  O  O31  1  0.581  0.785  0.270  1.0
  O  O32  1  0.177  0.387  0.466  1.0
  O  O33  1  0.463  0.510  0.482  1.0
  O  O34  1  0.307  0.960  0.481  1.0
  O  O35  1  0.963  0.490  0.518  1.0
  O  O36  1  0.034  0.991  0.484  1.0
  O  O37  1  0.677  0.613  0.534  1.0
  O  O38  1  0.534  0.009  0.516  1.0
  O  O39  1  0.807  0.040  0.519  1.0
  O  O40  1  0.413  0.736  0.719  1.0
  O  O41  1  0.133  0.606  0.684  1.0
  O  O42  1  0.768  0.641  0.796  1.0
  O  O43  1  0.081  0.215  0.730  1.0
  O  O44  1  0.380  0.123  0.708  1.0
  O  O45  1  0.556  0.340  0.843  1.0
  O  O46  1  0.731  0.125  0.775  1.0
  O  O47  1  0.949  0.845  0.850  1.0
  O  O48  1  0.318  0.350  0.920  1.0
  O  O49  1  0.938  0.421  0.918  1.0
  O  O50  1  0.186  0.852  0.933  1.0
  O  O51  1  0.569  0.910  0.901  1.0
[/CIF]
.