The material described by LiCrPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Cr(1), one Cr(2), and one P(2) 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 in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), 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   5.101
_cell_length_b   5.195
_cell_length_c   6.497
_cell_angle_alpha   90.485
_cell_angle_beta   91.459
_cell_angle_gamma   64.821
_symmetry_Int_Tables_number   1
_cell_volume   155.738
_cell_formula_units_Z   2
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  0.698  0.654  0.750  1.0
  Li  Li1  1  0.366  0.345  0.246  1.0
  Cr  Cr2  1  0.976  0.008  0.520  1.0
  Cr  Cr3  1  0.012  0.996  0.004  1.0
  P  P4  1  0.703  0.618  0.245  1.0
  P  P5  1  0.301  0.373  0.748  1.0
  O  O6  1  0.177  0.714  0.758  1.0
  O  O7  1  0.800  0.724  0.442  1.0
  O  O8  1  0.812  0.704  0.051  1.0
  O  O9  1  0.369  0.725  0.238  1.0
  O  O10  1  0.042  0.279  0.744  1.0
  O  O11  1  0.484  0.254  0.943  1.0
  O  O12  1  0.466  0.280  0.549  1.0
  O  O13  1  0.863  0.277  0.255  1.0
[/CIF]
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The material described by LiCrPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Cr(1), one Cr(2), and one P(2) 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 in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(1), one Cr(1), one Cr(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Cr(1), one Cr(2), 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   5.101
_cell_length_b   5.195
_cell_length_c   6.497
_cell_angle_alpha   90.485
_cell_angle_beta   91.459
_cell_angle_gamma   64.821
_symmetry_Int_Tables_number   1
_cell_volume   155.738
_cell_formula_units_Z   2
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  0.698  0.654  0.750  1.0
  Li  Li1  1  0.366  0.345  0.246  1.0
  Cr  Cr2  1  0.976  0.008  0.520  1.0
  Cr  Cr3  1  0.012  0.996  0.004  1.0
  P  P4  1  0.703  0.618  0.245  1.0
  P  P5  1  0.301  0.373  0.748  1.0
  O  O6  1  0.177  0.714  0.758  1.0
  O  O7  1  0.800  0.724  0.442  1.0
  O  O8  1  0.812  0.704  0.051  1.0
  O  O9  1  0.369  0.725  0.238  1.0
  O  O10  1  0.042  0.279  0.744  1.0
  O  O11  1  0.484  0.254  0.943  1.0
  O  O12  1  0.466  0.280  0.549  1.0
  O  O13  1  0.863  0.277  0.255  1.0
[/CIF]
.