The material described by LiCrPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Li(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 file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.066
_cell_length_c   16.795
_cell_angle_alpha   88.888
_cell_angle_beta   88.888
_cell_angle_gamma   88.585
_symmetry_Int_Tables_number   1
_cell_volume   430.715
_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  0.447  0.841  0.441  1.0
  Li  Li1  1  0.841  0.447  0.941  1.0
  Li  Li2  1  0.159  0.553  0.059  1.0
  Li  Li3  1  0.553  0.159  0.559  1.0
  Cr  Cr4  1  0.660  0.837  0.251  1.0
  Cr  Cr5  1  0.837  0.660  0.751  1.0
  Cr  Cr6  1  0.163  0.340  0.249  1.0
  Cr  Cr7  1  0.340  0.163  0.749  1.0
  P  P8  1  0.686  0.353  0.134  1.0
  P  P9  1  0.353  0.686  0.634  1.0
  P  P10  1  0.647  0.314  0.366  1.0
  P  P11  1  0.314  0.647  0.866  1.0
  O  O12  1  0.843  0.522  0.197  1.0
  O  O13  1  0.522  0.843  0.697  1.0
  O  O14  1  0.941  0.256  0.346  1.0
  O  O15  1  0.788  0.429  0.052  1.0
  O  O16  1  0.568  0.614  0.353  1.0
  O  O17  1  0.256  0.941  0.846  1.0
  O  O18  1  0.429  0.788  0.552  1.0
  O  O19  1  0.614  0.568  0.853  1.0
  O  O20  1  0.386  0.432  0.147  1.0
  O  O21  1  0.571  0.212  0.448  1.0
  O  O22  1  0.744  0.059  0.154  1.0
  O  O23  1  0.432  0.386  0.647  1.0
  O  O24  1  0.212  0.571  0.948  1.0
  O  O25  1  0.059  0.744  0.654  1.0
  O  O26  1  0.478  0.157  0.303  1.0
  O  O27  1  0.157  0.478  0.803  1.0
[/CIF]
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The material described by LiCrPO4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(4) and two equivalent O(3) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Li(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 file [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.066
_cell_length_b   5.066
_cell_length_c   16.795
_cell_angle_alpha   88.888
_cell_angle_beta   88.888
_cell_angle_gamma   88.585
_symmetry_Int_Tables_number   1
_cell_volume   430.715
_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  0.447  0.841  0.441  1.0
  Li  Li1  1  0.841  0.447  0.941  1.0
  Li  Li2  1  0.159  0.553  0.059  1.0
  Li  Li3  1  0.553  0.159  0.559  1.0
  Cr  Cr4  1  0.660  0.837  0.251  1.0
  Cr  Cr5  1  0.837  0.660  0.751  1.0
  Cr  Cr6  1  0.163  0.340  0.249  1.0
  Cr  Cr7  1  0.340  0.163  0.749  1.0
  P  P8  1  0.686  0.353  0.134  1.0
  P  P9  1  0.353  0.686  0.634  1.0
  P  P10  1  0.647  0.314  0.366  1.0
  P  P11  1  0.314  0.647  0.866  1.0
  O  O12  1  0.843  0.522  0.197  1.0
  O  O13  1  0.522  0.843  0.697  1.0
  O  O14  1  0.941  0.256  0.346  1.0
  O  O15  1  0.788  0.429  0.052  1.0
  O  O16  1  0.568  0.614  0.353  1.0
  O  O17  1  0.256  0.941  0.846  1.0
  O  O18  1  0.429  0.788  0.552  1.0
  O  O19  1  0.614  0.568  0.853  1.0
  O  O20  1  0.386  0.432  0.147  1.0
  O  O21  1  0.571  0.212  0.448  1.0
  O  O22  1  0.744  0.059  0.154  1.0
  O  O23  1  0.432  0.386  0.647  1.0
  O  O24  1  0.212  0.571  0.948  1.0
  O  O25  1  0.059  0.744  0.654  1.0
  O  O26  1  0.478  0.157  0.303  1.0
  O  O27  1  0.157  0.478  0.803  1.0
[/CIF]
.