The material structure described by Li3CrCPO7 crystallizes in the monoclinic P2_1 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 in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. 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 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), 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 in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cr(1), and one C(1) 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 C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one C(1) atom. In the fourth O site, O(4) 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  a cornercorner with one O(5)Li3P tetrahedra, corners with three equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(6)Li2CrP trigonal pyramid,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(6)Li2CrP trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi3P tetrahedra. In the sixth 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  a cornercorner with one O(5)Li3P tetrahedra, corners with four equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(4)Li2CrP trigonal pyramid,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(4)Li2CrP trigonal pyramid. In the seventh 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)Li3P tetrahedra, corners with three equivalent O(4)Li2CrP trigonal pyramids, and corners with four equivalent O(6)Li2CrP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   6.531
_cell_length_c   8.579
_cell_angle_alpha   89.988
_cell_angle_beta   85.215
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   277.689
_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  0.772  0.257  0.115  1.0
  Li  Li1  1  0.228  0.757  0.885  1.0
  Li  Li2  1  0.236  0.478  0.302  1.0
  Li  Li3  1  0.764  0.977  0.698  1.0
  Li  Li4  1  0.774  0.743  0.359  1.0
  Li  Li5  1  0.227  0.243  0.641  1.0
  Cr  Cr6  1  0.756  0.483  0.746  1.0
  Cr  Cr7  1  0.245  0.983  0.254  1.0
  P  P8  1  0.728  0.258  0.413  1.0
  P  P9  1  0.272  0.757  0.587  1.0
  C  C10  1  0.714  0.755  0.042  1.0
  C  C11  1  0.286  0.255  0.958  1.0
  O  O12  1  0.966  0.764  0.059  1.0
  O  O13  1  0.034  0.264  0.941  1.0
  O  O14  1  0.373  0.223  0.098  1.0
  O  O15  1  0.627  0.723  0.902  1.0
  O  O16  1  0.535  0.773  0.160  1.0
  O  O17  1  0.464  0.273  0.840  1.0
  O  O18  1  0.842  0.067  0.318  1.0
  O  O19  1  0.158  0.567  0.682  1.0
  O  O20  1  0.835  0.443  0.314  1.0
  O  O21  1  0.165  0.943  0.686  1.0
  O  O22  1  0.177  0.753  0.419  1.0
  O  O23  1  0.823  0.253  0.581  1.0
  O  O24  1  0.415  0.254  0.424  1.0
  O  O25  1  0.585  0.753  0.576  1.0
[/CIF]
.
The material structure described by Li3CrCPO7 crystallizes in the monoclinic P2_1 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 in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. 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 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), 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 in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cr(1), and one C(1) 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 C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one C(1) atom. In the fourth O site, O(4) 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  a cornercorner with one O(5)Li3P tetrahedra, corners with three equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(6)Li2CrP trigonal pyramid,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(6)Li2CrP trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi3P tetrahedra. In the sixth 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  a cornercorner with one O(5)Li3P tetrahedra, corners with four equivalent O(7)Li2CrP tetrahedra,  a cornercorner with one O(4)Li2CrP trigonal pyramid,  an edgeedge with one O(5)Li3P tetrahedra, and  an edgeedge with one O(4)Li2CrP trigonal pyramid. In the seventh 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)Li3P tetrahedra, corners with three equivalent O(4)Li2CrP trigonal pyramids, and corners with four equivalent O(6)Li2CrP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   6.531
_cell_length_c   8.579
_cell_angle_alpha   89.988
_cell_angle_beta   85.215
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   277.689
_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  0.772  0.257  0.115  1.0
  Li  Li1  1  0.228  0.757  0.885  1.0
  Li  Li2  1  0.236  0.478  0.302  1.0
  Li  Li3  1  0.764  0.977  0.698  1.0
  Li  Li4  1  0.774  0.743  0.359  1.0
  Li  Li5  1  0.227  0.243  0.641  1.0
  Cr  Cr6  1  0.756  0.483  0.746  1.0
  Cr  Cr7  1  0.245  0.983  0.254  1.0
  P  P8  1  0.728  0.258  0.413  1.0
  P  P9  1  0.272  0.757  0.587  1.0
  C  C10  1  0.714  0.755  0.042  1.0
  C  C11  1  0.286  0.255  0.958  1.0
  O  O12  1  0.966  0.764  0.059  1.0
  O  O13  1  0.034  0.264  0.941  1.0
  O  O14  1  0.373  0.223  0.098  1.0
  O  O15  1  0.627  0.723  0.902  1.0
  O  O16  1  0.535  0.773  0.160  1.0
  O  O17  1  0.464  0.273  0.840  1.0
  O  O18  1  0.842  0.067  0.318  1.0
  O  O19  1  0.158  0.567  0.682  1.0
  O  O20  1  0.835  0.443  0.314  1.0
  O  O21  1  0.165  0.943  0.686  1.0
  O  O22  1  0.177  0.753  0.419  1.0
  O  O23  1  0.823  0.253  0.581  1.0
  O  O24  1  0.415  0.254  0.424  1.0
  O  O25  1  0.585  0.753  0.576  1.0
[/CIF]
.