The compound described by LiCrPO4 crystallizes in the triclinic P-1 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(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), 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 4-coordinate geometry to one O(2), one O(7), and two equivalent O(5) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), 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 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   6.503
_cell_length_c   9.715
_cell_angle_alpha   109.545
_cell_angle_beta   92.774
_cell_angle_gamma   98.834
_symmetry_Int_Tables_number   1
_cell_volume   350.592
_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  0.418  0.361  0.676  1.0
  Li  Li1  1  0.410  0.832  0.706  1.0
  Li  Li2  1  0.582  0.639  0.324  1.0
  Li  Li3  1  0.590  0.168  0.294  1.0
  Cr  Cr4  1  0.794  0.362  0.928  1.0
  Cr  Cr5  1  0.015  0.901  0.276  1.0
  Cr  Cr6  1  0.206  0.638  0.072  1.0
  Cr  Cr7  1  0.985  0.099  0.724  1.0
  P  P8  1  0.708  0.816  0.986  1.0
  P  P9  1  0.292  0.184  0.014  1.0
  P  P10  1  0.846  0.727  0.611  1.0
  P  P11  1  0.154  0.273  0.389  1.0
  O  O12  1  0.096  0.741  0.670  1.0
  O  O13  1  0.207  0.941  0.105  1.0
  O  O14  1  0.730  0.793  0.152  1.0
  O  O15  1  0.286  0.500  0.308  1.0
  O  O16  1  0.865  0.664  0.962  1.0
  O  O17  1  0.135  0.336  0.038  1.0
  O  O18  1  0.191  0.248  0.557  1.0
  O  O19  1  0.270  0.207  0.848  1.0
  O  O20  1  0.714  0.500  0.692  1.0
  O  O21  1  0.793  0.059  0.895  1.0
  O  O22  1  0.537  0.241  0.074  1.0
  O  O23  1  0.463  0.759  0.926  1.0
  O  O24  1  0.809  0.752  0.443  1.0
  O  O25  1  0.271  0.088  0.365  1.0
  O  O26  1  0.729  0.912  0.635  1.0
  O  O27  1  0.904  0.259  0.330  1.0
[/CIF]
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The compound described by LiCrPO4 crystallizes in the triclinic P-1 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(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), 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 4-coordinate geometry to one O(2), one O(7), and two equivalent O(5) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), 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 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(2), one Cr(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(2) atom. is represented by the CIF card [CIF]
data_LiCrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   6.503
_cell_length_c   9.715
_cell_angle_alpha   109.545
_cell_angle_beta   92.774
_cell_angle_gamma   98.834
_symmetry_Int_Tables_number   1
_cell_volume   350.592
_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  0.418  0.361  0.676  1.0
  Li  Li1  1  0.410  0.832  0.706  1.0
  Li  Li2  1  0.582  0.639  0.324  1.0
  Li  Li3  1  0.590  0.168  0.294  1.0
  Cr  Cr4  1  0.794  0.362  0.928  1.0
  Cr  Cr5  1  0.015  0.901  0.276  1.0
  Cr  Cr6  1  0.206  0.638  0.072  1.0
  Cr  Cr7  1  0.985  0.099  0.724  1.0
  P  P8  1  0.708  0.816  0.986  1.0
  P  P9  1  0.292  0.184  0.014  1.0
  P  P10  1  0.846  0.727  0.611  1.0
  P  P11  1  0.154  0.273  0.389  1.0
  O  O12  1  0.096  0.741  0.670  1.0
  O  O13  1  0.207  0.941  0.105  1.0
  O  O14  1  0.730  0.793  0.152  1.0
  O  O15  1  0.286  0.500  0.308  1.0
  O  O16  1  0.865  0.664  0.962  1.0
  O  O17  1  0.135  0.336  0.038  1.0
  O  O18  1  0.191  0.248  0.557  1.0
  O  O19  1  0.270  0.207  0.848  1.0
  O  O20  1  0.714  0.500  0.692  1.0
  O  O21  1  0.793  0.059  0.895  1.0
  O  O22  1  0.537  0.241  0.074  1.0
  O  O23  1  0.463  0.759  0.926  1.0
  O  O24  1  0.809  0.752  0.443  1.0
  O  O25  1  0.271  0.088  0.365  1.0
  O  O26  1  0.729  0.912  0.635  1.0
  O  O27  1  0.904  0.259  0.330  1.0
[/CIF]
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