The material described by Li3CrCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Cr(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrC tetrahedra, corners with four equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(5)Li2CrP trigonal pyramid, and  an edgeedge with one O(5)Li2CrP trigonal pyramid. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP tetrahedra that share corners with three equivalent O(5)Li2CrP trigonal pyramids, corners with four equivalent O(6)Li2CrP trigonal pyramids, and  an edgeedge with one O(2)Li2CrC tetrahedra. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrC tetrahedra. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrC tetrahedra, corners with three equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(6)Li2CrP trigonal pyramid, and  an edgeedge with one O(6)Li2CrP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   9.540
_cell_length_c   9.980
_cell_angle_alpha   63.715
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.993
_cell_formula_units_Z   4
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  0.111  0.308  1.0
  Li  Li1  1  0.250  0.111  0.808  1.0
  Li  Li2  1  0.020  0.294  0.486  1.0
  Li  Li3  1  0.480  0.294  0.986  1.0
  Li  Li4  1  0.758  0.357  0.684  1.0
  Li  Li5  1  0.742  0.357  0.184  1.0
  Li  Li6  1  0.242  0.643  0.316  1.0
  Li  Li7  1  0.258  0.643  0.816  1.0
  Li  Li8  1  0.980  0.706  0.514  1.0
  Li  Li9  1  0.520  0.706  0.014  1.0
  Li  Li10  1  0.750  0.889  0.692  1.0
  Li  Li11  1  0.750  0.889  0.192  1.0
  Cr  Cr12  1  0.517  0.259  0.496  1.0
  Cr  Cr13  1  0.983  0.259  0.996  1.0
  Cr  Cr14  1  0.483  0.741  0.504  1.0
  Cr  Cr15  1  0.017  0.741  0.004  1.0
  P  P16  1  0.254  0.411  0.682  1.0
  P  P17  1  0.246  0.411  0.182  1.0
  P  P18  1  0.746  0.589  0.318  1.0
  P  P19  1  0.754  0.589  0.818  1.0
  C  C20  1  0.737  0.041  0.377  1.0
  C  C21  1  0.763  0.041  0.877  1.0
  C  C22  1  0.263  0.959  0.623  1.0
  C  C23  1  0.237  0.959  0.123  1.0
  O  O24  1  0.751  0.062  0.742  1.0
  O  O25  1  0.749  0.062  0.242  1.0
  O  O26  1  0.278  0.103  0.513  1.0
  O  O27  1  0.742  0.157  0.412  1.0
  O  O28  1  0.222  0.103  0.013  1.0
  O  O29  1  0.758  0.157  0.912  1.0
  O  O30  1  0.064  0.315  0.678  1.0
  O  O31  1  0.443  0.313  0.674  1.0
  O  O32  1  0.057  0.313  0.174  1.0
  O  O33  1  0.436  0.315  0.178  1.0
  O  O34  1  0.750  0.422  0.451  1.0
  O  O35  1  0.235  0.425  0.331  1.0
  O  O36  1  0.750  0.422  0.951  1.0
  O  O37  1  0.265  0.425  0.831  1.0
  O  O38  1  0.765  0.575  0.669  1.0
  O  O39  1  0.250  0.578  0.549  1.0
  O  O40  1  0.735  0.575  0.169  1.0
  O  O41  1  0.250  0.578  0.049  1.0
  O  O42  1  0.936  0.685  0.322  1.0
  O  O43  1  0.557  0.687  0.326  1.0
  O  O44  1  0.943  0.687  0.826  1.0
  O  O45  1  0.564  0.685  0.822  1.0
  O  O46  1  0.258  0.843  0.588  1.0
  O  O47  1  0.722  0.897  0.487  1.0
  O  O48  1  0.242  0.843  0.088  1.0
  O  O49  1  0.778  0.897  0.987  1.0
  O  O50  1  0.249  0.938  0.258  1.0
  O  O51  1  0.251  0.938  0.758  1.0
[/CIF]
.
The material described by Li3CrCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Cr(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrC tetrahedra, corners with four equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(5)Li2CrP trigonal pyramid, and  an edgeedge with one O(5)Li2CrP trigonal pyramid. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP tetrahedra that share corners with three equivalent O(5)Li2CrP trigonal pyramids, corners with four equivalent O(6)Li2CrP trigonal pyramids, and  an edgeedge with one O(2)Li2CrC tetrahedra. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Cr(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrC tetrahedra. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(3), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(2)Li2CrC tetrahedra, corners with three equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(6)Li2CrP trigonal pyramid, and  an edgeedge with one O(6)Li2CrP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   9.540
_cell_length_c   9.980
_cell_angle_alpha   63.715
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.993
_cell_formula_units_Z   4
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  0.111  0.308  1.0
  Li  Li1  1  0.250  0.111  0.808  1.0
  Li  Li2  1  0.020  0.294  0.486  1.0
  Li  Li3  1  0.480  0.294  0.986  1.0
  Li  Li4  1  0.758  0.357  0.684  1.0
  Li  Li5  1  0.742  0.357  0.184  1.0
  Li  Li6  1  0.242  0.643  0.316  1.0
  Li  Li7  1  0.258  0.643  0.816  1.0
  Li  Li8  1  0.980  0.706  0.514  1.0
  Li  Li9  1  0.520  0.706  0.014  1.0
  Li  Li10  1  0.750  0.889  0.692  1.0
  Li  Li11  1  0.750  0.889  0.192  1.0
  Cr  Cr12  1  0.517  0.259  0.496  1.0
  Cr  Cr13  1  0.983  0.259  0.996  1.0
  Cr  Cr14  1  0.483  0.741  0.504  1.0
  Cr  Cr15  1  0.017  0.741  0.004  1.0
  P  P16  1  0.254  0.411  0.682  1.0
  P  P17  1  0.246  0.411  0.182  1.0
  P  P18  1  0.746  0.589  0.318  1.0
  P  P19  1  0.754  0.589  0.818  1.0
  C  C20  1  0.737  0.041  0.377  1.0
  C  C21  1  0.763  0.041  0.877  1.0
  C  C22  1  0.263  0.959  0.623  1.0
  C  C23  1  0.237  0.959  0.123  1.0
  O  O24  1  0.751  0.062  0.742  1.0
  O  O25  1  0.749  0.062  0.242  1.0
  O  O26  1  0.278  0.103  0.513  1.0
  O  O27  1  0.742  0.157  0.412  1.0
  O  O28  1  0.222  0.103  0.013  1.0
  O  O29  1  0.758  0.157  0.912  1.0
  O  O30  1  0.064  0.315  0.678  1.0
  O  O31  1  0.443  0.313  0.674  1.0
  O  O32  1  0.057  0.313  0.174  1.0
  O  O33  1  0.436  0.315  0.178  1.0
  O  O34  1  0.750  0.422  0.451  1.0
  O  O35  1  0.235  0.425  0.331  1.0
  O  O36  1  0.750  0.422  0.951  1.0
  O  O37  1  0.265  0.425  0.831  1.0
  O  O38  1  0.765  0.575  0.669  1.0
  O  O39  1  0.250  0.578  0.549  1.0
  O  O40  1  0.735  0.575  0.169  1.0
  O  O41  1  0.250  0.578  0.049  1.0
  O  O42  1  0.936  0.685  0.322  1.0
  O  O43  1  0.557  0.687  0.326  1.0
  O  O44  1  0.943  0.687  0.826  1.0
  O  O45  1  0.564  0.685  0.822  1.0
  O  O46  1  0.258  0.843  0.588  1.0
  O  O47  1  0.722  0.897  0.487  1.0
  O  O48  1  0.242  0.843  0.088  1.0
  O  O49  1  0.778  0.897  0.987  1.0
  O  O50  1  0.249  0.938  0.258  1.0
  O  O51  1  0.251  0.938  0.758  1.0
[/CIF]
.