The structure described by Li2CrPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2CrPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   8.708
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.346
_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  0.023  0.319  0.088  1.0
  Li  Li1  1  0.538  0.622  0.135  1.0
  Li  Li2  1  0.038  0.122  0.365  1.0
  Li  Li3  1  0.523  0.819  0.412  1.0
  Li  Li4  1  0.477  0.319  0.588  1.0
  Li  Li5  1  0.962  0.622  0.635  1.0
  Li  Li6  1  0.462  0.122  0.865  1.0
  Li  Li7  1  0.977  0.819  0.912  1.0
  Cr  Cr8  1  0.482  1.000  0.114  1.0
  Cr  Cr9  1  0.982  0.500  0.386  1.0
  Cr  Cr10  1  0.018  1.000  0.614  1.0
  Cr  Cr11  1  0.518  0.500  0.886  1.0
  P  P12  1  0.085  0.806  0.217  1.0
  P  P13  1  0.585  0.306  0.283  1.0
  P  P14  1  0.415  0.806  0.717  1.0
  P  P15  1  0.915  0.306  0.783  1.0
  O  O16  1  0.295  0.469  0.007  1.0
  O  O17  1  0.248  0.125  0.055  1.0
  O  O18  1  0.230  0.811  0.079  1.0
  O  O19  1  0.742  0.443  0.215  1.0
  O  O20  1  0.761  0.816  0.217  1.0
  O  O21  1  0.691  0.154  0.218  1.0
  O  O22  1  0.191  0.654  0.282  1.0
  O  O23  1  0.261  0.316  0.283  1.0
  O  O24  1  0.242  0.943  0.285  1.0
  O  O25  1  0.730  0.311  0.421  1.0
  O  O26  1  0.748  0.625  0.445  1.0
  O  O27  1  0.795  0.969  0.493  1.0
  O  O28  1  0.205  0.469  0.507  1.0
  O  O29  1  0.252  0.125  0.555  1.0
  O  O30  1  0.270  0.811  0.579  1.0
  O  O31  1  0.758  0.443  0.715  1.0
  O  O32  1  0.739  0.816  0.717  1.0
  O  O33  1  0.809  0.154  0.718  1.0
  O  O34  1  0.309  0.654  0.782  1.0
  O  O35  1  0.239  0.316  0.783  1.0
  O  O36  1  0.258  0.943  0.785  1.0
  O  O37  1  0.770  0.311  0.921  1.0
  O  O38  1  0.752  0.625  0.945  1.0
  O  O39  1  0.705  0.969  0.993  1.0
[/CIF]
.
The structure described by Li2CrPO6 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent Li(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-67°. Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Cr(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi2CrP tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2CrPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.688
_cell_length_b   8.708
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.346
_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  0.023  0.319  0.088  1.0
  Li  Li1  1  0.538  0.622  0.135  1.0
  Li  Li2  1  0.038  0.122  0.365  1.0
  Li  Li3  1  0.523  0.819  0.412  1.0
  Li  Li4  1  0.477  0.319  0.588  1.0
  Li  Li5  1  0.962  0.622  0.635  1.0
  Li  Li6  1  0.462  0.122  0.865  1.0
  Li  Li7  1  0.977  0.819  0.912  1.0
  Cr  Cr8  1  0.482  1.000  0.114  1.0
  Cr  Cr9  1  0.982  0.500  0.386  1.0
  Cr  Cr10  1  0.018  1.000  0.614  1.0
  Cr  Cr11  1  0.518  0.500  0.886  1.0
  P  P12  1  0.085  0.806  0.217  1.0
  P  P13  1  0.585  0.306  0.283  1.0
  P  P14  1  0.415  0.806  0.717  1.0
  P  P15  1  0.915  0.306  0.783  1.0
  O  O16  1  0.295  0.469  0.007  1.0
  O  O17  1  0.248  0.125  0.055  1.0
  O  O18  1  0.230  0.811  0.079  1.0
  O  O19  1  0.742  0.443  0.215  1.0
  O  O20  1  0.761  0.816  0.217  1.0
  O  O21  1  0.691  0.154  0.218  1.0
  O  O22  1  0.191  0.654  0.282  1.0
  O  O23  1  0.261  0.316  0.283  1.0
  O  O24  1  0.242  0.943  0.285  1.0
  O  O25  1  0.730  0.311  0.421  1.0
  O  O26  1  0.748  0.625  0.445  1.0
  O  O27  1  0.795  0.969  0.493  1.0
  O  O28  1  0.205  0.469  0.507  1.0
  O  O29  1  0.252  0.125  0.555  1.0
  O  O30  1  0.270  0.811  0.579  1.0
  O  O31  1  0.758  0.443  0.715  1.0
  O  O32  1  0.739  0.816  0.717  1.0
  O  O33  1  0.809  0.154  0.718  1.0
  O  O34  1  0.309  0.654  0.782  1.0
  O  O35  1  0.239  0.316  0.783  1.0
  O  O36  1  0.258  0.943  0.785  1.0
  O  O37  1  0.770  0.311  0.921  1.0
  O  O38  1  0.752  0.625  0.945  1.0
  O  O39  1  0.705  0.969  0.993  1.0
[/CIF]
.