The compound described by LiCrPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with five equivalent Cr(1)O5 square pyramids and corners with four equivalent P(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with five equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   9.711
_cell_length_c   7.066
_cell_angle_alpha   90.003
_cell_angle_beta   88.195
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   356.908
_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  0.203  0.180  0.526  1.0
  Li  Li1  1  0.797  0.820  0.474  1.0
  Li  Li2  1  0.703  0.320  0.026  1.0
  Li  Li3  1  0.297  0.680  0.974  1.0
  Cr  Cr4  1  0.258  0.613  0.478  1.0
  Cr  Cr5  1  0.242  0.113  0.022  1.0
  Cr  Cr6  1  0.758  0.887  0.978  1.0
  Cr  Cr7  1  0.741  0.387  0.522  1.0
  P  P8  1  0.190  0.406  0.233  1.0
  P  P9  1  0.310  0.906  0.267  1.0
  P  P10  1  0.690  0.094  0.733  1.0
  P  P11  1  0.810  0.594  0.767  1.0
  O  O12  1  0.330  0.313  0.086  1.0
  O  O13  1  0.830  0.187  0.586  1.0
  O  O14  1  0.170  0.813  0.414  1.0
  O  O15  1  0.670  0.687  0.914  1.0
  O  O16  1  0.742  0.940  0.692  1.0
  O  O17  1  0.758  0.440  0.808  1.0
  O  O18  1  0.242  0.560  0.192  1.0
  O  O19  1  0.258  0.060  0.308  1.0
  O  O20  1  0.794  0.113  0.941  1.0
  O  O21  1  0.206  0.887  0.059  1.0
  O  O22  1  0.294  0.387  0.441  1.0
  O  O23  1  0.706  0.613  0.559  1.0
  O  O24  1  0.101  0.630  0.756  1.0
  O  O25  1  0.399  0.130  0.744  1.0
  O  O26  1  0.601  0.870  0.256  1.0
  O  O27  1  0.899  0.370  0.244  1.0
[/CIF]
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The compound described by LiCrPO4 is Chalcostibite-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with five equivalent Cr(1)O5 square pyramids and corners with four equivalent P(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with five equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   9.711
_cell_length_c   7.066
_cell_angle_alpha   90.003
_cell_angle_beta   88.195
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   356.908
_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  0.203  0.180  0.526  1.0
  Li  Li1  1  0.797  0.820  0.474  1.0
  Li  Li2  1  0.703  0.320  0.026  1.0
  Li  Li3  1  0.297  0.680  0.974  1.0
  Cr  Cr4  1  0.258  0.613  0.478  1.0
  Cr  Cr5  1  0.242  0.113  0.022  1.0
  Cr  Cr6  1  0.758  0.887  0.978  1.0
  Cr  Cr7  1  0.741  0.387  0.522  1.0
  P  P8  1  0.190  0.406  0.233  1.0
  P  P9  1  0.310  0.906  0.267  1.0
  P  P10  1  0.690  0.094  0.733  1.0
  P  P11  1  0.810  0.594  0.767  1.0
  O  O12  1  0.330  0.313  0.086  1.0
  O  O13  1  0.830  0.187  0.586  1.0
  O  O14  1  0.170  0.813  0.414  1.0
  O  O15  1  0.670  0.687  0.914  1.0
  O  O16  1  0.742  0.940  0.692  1.0
  O  O17  1  0.758  0.440  0.808  1.0
  O  O18  1  0.242  0.560  0.192  1.0
  O  O19  1  0.258  0.060  0.308  1.0
  O  O20  1  0.794  0.113  0.941  1.0
  O  O21  1  0.206  0.887  0.059  1.0
  O  O22  1  0.294  0.387  0.441  1.0
  O  O23  1  0.706  0.613  0.559  1.0
  O  O24  1  0.101  0.630  0.756  1.0
  O  O25  1  0.399  0.130  0.744  1.0
  O  O26  1  0.601  0.870  0.256  1.0
  O  O27  1  0.899  0.370  0.244  1.0
[/CIF]
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