The material structure described by LiCrPO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-48°. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Li(1)O6 pentagonal pyramids. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 16-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1) and two equivalent Cr(1) atoms to form distorted edge-sharing OLi2Cr2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.145
_cell_length_b   10.331
_cell_length_c   4.981
_cell_angle_alpha   90.000
_cell_angle_beta   109.469
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.623
_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  0.167  0.102  0.126  1.0
  Li  Li1  1  0.333  0.602  0.374  1.0
  Li  Li2  1  0.667  0.398  0.626  1.0
  Li  Li3  1  0.833  0.898  0.874  1.0
  Cr  Cr4  1  0.178  0.927  0.617  1.0
  Cr  Cr5  1  0.322  0.427  0.883  1.0
  Cr  Cr6  1  0.678  0.573  0.117  1.0
  Cr  Cr7  1  0.822  0.073  0.383  1.0
  P  P8  1  0.028  0.349  0.218  1.0
  P  P9  1  0.528  0.151  0.718  1.0
  P  P10  1  0.472  0.849  0.282  1.0
  P  P11  1  0.972  0.651  0.782  1.0
  O  O12  1  0.031  0.782  0.686  1.0
  O  O13  1  0.148  0.310  0.020  1.0
  O  O14  1  0.999  0.956  0.271  1.0
  O  O15  1  0.160  0.574  0.948  1.0
  O  O16  1  0.159  0.430  0.472  1.0
  O  O17  1  0.340  0.074  0.552  1.0
  O  O18  1  0.352  0.810  0.480  1.0
  O  O19  1  0.469  0.282  0.814  1.0
  O  O20  1  0.341  0.930  0.028  1.0
  O  O21  1  0.499  0.544  0.771  1.0
  O  O22  1  0.501  0.456  0.229  1.0
  O  O23  1  0.659  0.070  0.972  1.0
  O  O24  1  0.531  0.718  0.186  1.0
  O  O25  1  0.648  0.190  0.520  1.0
  O  O26  1  0.660  0.926  0.448  1.0
  O  O27  1  0.841  0.570  0.528  1.0
  O  O28  1  0.840  0.426  0.052  1.0
  O  O29  1  0.001  0.044  0.729  1.0
  O  O30  1  0.852  0.690  0.980  1.0
  O  O31  1  0.969  0.218  0.314  1.0
[/CIF]
.
The material structure described by LiCrPO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-48°. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Li(1)O6 pentagonal pyramids. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 16-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1) and two equivalent Cr(1) atoms to form distorted edge-sharing OLi2Cr2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiCrPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.145
_cell_length_b   10.331
_cell_length_c   4.981
_cell_angle_alpha   90.000
_cell_angle_beta   109.469
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.623
_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  0.167  0.102  0.126  1.0
  Li  Li1  1  0.333  0.602  0.374  1.0
  Li  Li2  1  0.667  0.398  0.626  1.0
  Li  Li3  1  0.833  0.898  0.874  1.0
  Cr  Cr4  1  0.178  0.927  0.617  1.0
  Cr  Cr5  1  0.322  0.427  0.883  1.0
  Cr  Cr6  1  0.678  0.573  0.117  1.0
  Cr  Cr7  1  0.822  0.073  0.383  1.0
  P  P8  1  0.028  0.349  0.218  1.0
  P  P9  1  0.528  0.151  0.718  1.0
  P  P10  1  0.472  0.849  0.282  1.0
  P  P11  1  0.972  0.651  0.782  1.0
  O  O12  1  0.031  0.782  0.686  1.0
  O  O13  1  0.148  0.310  0.020  1.0
  O  O14  1  0.999  0.956  0.271  1.0
  O  O15  1  0.160  0.574  0.948  1.0
  O  O16  1  0.159  0.430  0.472  1.0
  O  O17  1  0.340  0.074  0.552  1.0
  O  O18  1  0.352  0.810  0.480  1.0
  O  O19  1  0.469  0.282  0.814  1.0
  O  O20  1  0.341  0.930  0.028  1.0
  O  O21  1  0.499  0.544  0.771  1.0
  O  O22  1  0.501  0.456  0.229  1.0
  O  O23  1  0.659  0.070  0.972  1.0
  O  O24  1  0.531  0.718  0.186  1.0
  O  O25  1  0.648  0.190  0.520  1.0
  O  O26  1  0.660  0.926  0.448  1.0
  O  O27  1  0.841  0.570  0.528  1.0
  O  O28  1  0.840  0.426  0.052  1.0
  O  O29  1  0.001  0.044  0.729  1.0
  O  O30  1  0.852  0.690  0.980  1.0
  O  O31  1  0.969  0.218  0.314  1.0
[/CIF]
.