The crystal structure 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 in a 5-coordinate geometry to one O(2), one O(3), 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 5-coordinate geometry to 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(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)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P 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)Li3P 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 distorted OLi2CrC tetrahedra that share corners with two equivalent O(6)Li2CrP trigonal pyramids, corners with two equivalent O(5)Li3P trigonal pyramids, and  an edgeedge with one O(7)Li2CrP tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate 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(3), one Cr(1), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P 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 CIF card [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   9.512
_cell_length_c   9.982
_cell_angle_alpha   63.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.330
_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  0.242  0.110  0.559  1.0
  Li  Li1  1  0.258  0.110  0.059  1.0
  Li  Li2  1  0.478  0.295  0.737  1.0
  Li  Li3  1  0.022  0.295  0.237  1.0
  Li  Li4  1  0.744  0.356  0.934  1.0
  Li  Li5  1  0.756  0.356  0.434  1.0
  Li  Li6  1  0.244  0.644  0.566  1.0
  Li  Li7  1  0.256  0.644  0.066  1.0
  Li  Li8  1  0.978  0.705  0.763  1.0
  Li  Li9  1  0.522  0.705  0.263  1.0
  Li  Li10  1  0.742  0.890  0.941  1.0
  Li  Li11  1  0.758  0.890  0.441  1.0
  Cr  Cr12  1  0.986  0.259  0.747  1.0
  Cr  Cr13  1  0.514  0.259  0.247  1.0
  Cr  Cr14  1  0.486  0.741  0.753  1.0
  Cr  Cr15  1  0.014  0.741  0.253  1.0
  P  P16  1  0.249  0.411  0.933  1.0
  P  P17  1  0.251  0.411  0.433  1.0
  P  P18  1  0.749  0.589  0.567  1.0
  P  P19  1  0.751  0.589  0.067  1.0
  C  C20  1  0.747  0.038  0.628  1.0
  C  C21  1  0.753  0.038  0.128  1.0
  C  C22  1  0.247  0.962  0.872  1.0
  C  C23  1  0.253  0.962  0.372  1.0
  O  O24  1  0.757  0.063  0.991  1.0
  O  O25  1  0.743  0.063  0.491  1.0
  O  O26  1  0.230  0.106  0.763  1.0
  O  O27  1  0.765  0.152  0.665  1.0
  O  O28  1  0.270  0.106  0.263  1.0
  O  O29  1  0.735  0.152  0.165  1.0
  O  O30  1  0.059  0.315  0.923  1.0
  O  O31  1  0.438  0.313  0.930  1.0
  O  O32  1  0.062  0.313  0.430  1.0
  O  O33  1  0.441  0.315  0.423  1.0
  O  O34  1  0.749  0.421  0.701  1.0
  O  O35  1  0.261  0.426  0.581  1.0
  O  O36  1  0.751  0.421  0.201  1.0
  O  O37  1  0.239  0.426  0.081  1.0
  O  O38  1  0.761  0.574  0.919  1.0
  O  O39  1  0.249  0.579  0.799  1.0
  O  O40  1  0.739  0.574  0.419  1.0
  O  O41  1  0.251  0.579  0.299  1.0
  O  O42  1  0.938  0.687  0.570  1.0
  O  O43  1  0.559  0.685  0.577  1.0
  O  O44  1  0.941  0.685  0.077  1.0
  O  O45  1  0.562  0.687  0.070  1.0
  O  O46  1  0.265  0.848  0.835  1.0
  O  O47  1  0.730  0.894  0.737  1.0
  O  O48  1  0.235  0.848  0.335  1.0
  O  O49  1  0.770  0.894  0.237  1.0
  O  O50  1  0.257  0.937  0.509  1.0
  O  O51  1  0.243  0.937  0.009  1.0
[/CIF]
.
The crystal structure 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 in a 5-coordinate geometry to one O(2), one O(3), 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 5-coordinate geometry to 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(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)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P 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)Li3P 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 distorted OLi2CrC tetrahedra that share corners with two equivalent O(6)Li2CrP trigonal pyramids, corners with two equivalent O(5)Li3P trigonal pyramids, and  an edgeedge with one O(7)Li2CrP tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate 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(3), one Cr(1), and one P(1) atom. In the seventh O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P 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 CIF card [CIF]
data_Li3CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.476
_cell_length_b   9.512
_cell_length_c   9.982
_cell_angle_alpha   63.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.330
_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  0.242  0.110  0.559  1.0
  Li  Li1  1  0.258  0.110  0.059  1.0
  Li  Li2  1  0.478  0.295  0.737  1.0
  Li  Li3  1  0.022  0.295  0.237  1.0
  Li  Li4  1  0.744  0.356  0.934  1.0
  Li  Li5  1  0.756  0.356  0.434  1.0
  Li  Li6  1  0.244  0.644  0.566  1.0
  Li  Li7  1  0.256  0.644  0.066  1.0
  Li  Li8  1  0.978  0.705  0.763  1.0
  Li  Li9  1  0.522  0.705  0.263  1.0
  Li  Li10  1  0.742  0.890  0.941  1.0
  Li  Li11  1  0.758  0.890  0.441  1.0
  Cr  Cr12  1  0.986  0.259  0.747  1.0
  Cr  Cr13  1  0.514  0.259  0.247  1.0
  Cr  Cr14  1  0.486  0.741  0.753  1.0
  Cr  Cr15  1  0.014  0.741  0.253  1.0
  P  P16  1  0.249  0.411  0.933  1.0
  P  P17  1  0.251  0.411  0.433  1.0
  P  P18  1  0.749  0.589  0.567  1.0
  P  P19  1  0.751  0.589  0.067  1.0
  C  C20  1  0.747  0.038  0.628  1.0
  C  C21  1  0.753  0.038  0.128  1.0
  C  C22  1  0.247  0.962  0.872  1.0
  C  C23  1  0.253  0.962  0.372  1.0
  O  O24  1  0.757  0.063  0.991  1.0
  O  O25  1  0.743  0.063  0.491  1.0
  O  O26  1  0.230  0.106  0.763  1.0
  O  O27  1  0.765  0.152  0.665  1.0
  O  O28  1  0.270  0.106  0.263  1.0
  O  O29  1  0.735  0.152  0.165  1.0
  O  O30  1  0.059  0.315  0.923  1.0
  O  O31  1  0.438  0.313  0.930  1.0
  O  O32  1  0.062  0.313  0.430  1.0
  O  O33  1  0.441  0.315  0.423  1.0
  O  O34  1  0.749  0.421  0.701  1.0
  O  O35  1  0.261  0.426  0.581  1.0
  O  O36  1  0.751  0.421  0.201  1.0
  O  O37  1  0.239  0.426  0.081  1.0
  O  O38  1  0.761  0.574  0.919  1.0
  O  O39  1  0.249  0.579  0.799  1.0
  O  O40  1  0.739  0.574  0.419  1.0
  O  O41  1  0.251  0.579  0.299  1.0
  O  O42  1  0.938  0.687  0.570  1.0
  O  O43  1  0.559  0.685  0.577  1.0
  O  O44  1  0.941  0.685  0.077  1.0
  O  O45  1  0.562  0.687  0.070  1.0
  O  O46  1  0.265  0.848  0.835  1.0
  O  O47  1  0.730  0.894  0.737  1.0
  O  O48  1  0.235  0.848  0.335  1.0
  O  O49  1  0.770  0.894  0.237  1.0
  O  O50  1  0.257  0.937  0.509  1.0
  O  O51  1  0.243  0.937  0.009  1.0
[/CIF]
.