The material described by LiCr4(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Cr site, Cr(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(1) atom to form distorted edge-sharing OLiCr2P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCr4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   7.355
_cell_angle_alpha   68.525
_cell_angle_beta   68.525
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   497.658
_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  0.994  0.006  0.250  1.0
  Li  Li1  1  0.006  0.994  0.750  1.0
  Cr  Cr2  1  0.386  0.061  0.849  1.0
  Cr  Cr3  1  0.267  0.733  0.750  1.0
  Cr  Cr4  1  0.061  0.386  0.349  1.0
  Cr  Cr5  1  0.507  0.493  0.750  1.0
  Cr  Cr6  1  0.493  0.507  0.250  1.0
  Cr  Cr7  1  0.614  0.939  0.151  1.0
  Cr  Cr8  1  0.733  0.267  0.250  1.0
  Cr  Cr9  1  0.939  0.614  0.651  1.0
  P  P10  1  0.116  0.337  0.891  1.0
  P  P11  1  0.337  0.116  0.391  1.0
  P  P12  1  0.278  0.722  0.250  1.0
  P  P13  1  0.884  0.663  0.109  1.0
  P  P14  1  0.722  0.278  0.750  1.0
  P  P15  1  0.663  0.884  0.609  1.0
  O  O16  1  0.405  0.048  0.219  1.0
  O  O17  1  0.833  0.254  0.552  1.0
  O  O18  1  0.740  0.527  0.158  1.0
  O  O19  1  0.473  0.260  0.342  1.0
  O  O20  1  0.733  0.459  0.742  1.0
  O  O21  1  0.700  0.015  0.382  1.0
  O  O22  1  0.015  0.700  0.882  1.0
  O  O23  1  0.985  0.300  0.118  1.0
  O  O24  1  0.459  0.733  0.242  1.0
  O  O25  1  0.267  0.541  0.258  1.0
  O  O26  1  0.527  0.740  0.658  1.0
  O  O27  1  0.823  0.828  0.096  1.0
  O  O28  1  0.177  0.172  0.904  1.0
  O  O29  1  0.048  0.405  0.719  1.0
  O  O30  1  0.952  0.595  0.281  1.0
  O  O31  1  0.828  0.823  0.596  1.0
  O  O32  1  0.300  0.985  0.618  1.0
  O  O33  1  0.167  0.746  0.448  1.0
  O  O34  1  0.541  0.267  0.758  1.0
  O  O35  1  0.172  0.177  0.404  1.0
  O  O36  1  0.746  0.167  0.948  1.0
  O  O37  1  0.254  0.833  0.052  1.0
  O  O38  1  0.260  0.473  0.842  1.0
  O  O39  1  0.595  0.952  0.781  1.0
[/CIF]
.
The material described by LiCr4(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(6) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the third Cr site, Cr(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Cr(1), one Cr(2), and one P(1) atom to form distorted edge-sharing OLiCr2P trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiCr4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   7.355
_cell_angle_alpha   68.525
_cell_angle_beta   68.525
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   497.658
_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  0.994  0.006  0.250  1.0
  Li  Li1  1  0.006  0.994  0.750  1.0
  Cr  Cr2  1  0.386  0.061  0.849  1.0
  Cr  Cr3  1  0.267  0.733  0.750  1.0
  Cr  Cr4  1  0.061  0.386  0.349  1.0
  Cr  Cr5  1  0.507  0.493  0.750  1.0
  Cr  Cr6  1  0.493  0.507  0.250  1.0
  Cr  Cr7  1  0.614  0.939  0.151  1.0
  Cr  Cr8  1  0.733  0.267  0.250  1.0
  Cr  Cr9  1  0.939  0.614  0.651  1.0
  P  P10  1  0.116  0.337  0.891  1.0
  P  P11  1  0.337  0.116  0.391  1.0
  P  P12  1  0.278  0.722  0.250  1.0
  P  P13  1  0.884  0.663  0.109  1.0
  P  P14  1  0.722  0.278  0.750  1.0
  P  P15  1  0.663  0.884  0.609  1.0
  O  O16  1  0.405  0.048  0.219  1.0
  O  O17  1  0.833  0.254  0.552  1.0
  O  O18  1  0.740  0.527  0.158  1.0
  O  O19  1  0.473  0.260  0.342  1.0
  O  O20  1  0.733  0.459  0.742  1.0
  O  O21  1  0.700  0.015  0.382  1.0
  O  O22  1  0.015  0.700  0.882  1.0
  O  O23  1  0.985  0.300  0.118  1.0
  O  O24  1  0.459  0.733  0.242  1.0
  O  O25  1  0.267  0.541  0.258  1.0
  O  O26  1  0.527  0.740  0.658  1.0
  O  O27  1  0.823  0.828  0.096  1.0
  O  O28  1  0.177  0.172  0.904  1.0
  O  O29  1  0.048  0.405  0.719  1.0
  O  O30  1  0.952  0.595  0.281  1.0
  O  O31  1  0.828  0.823  0.596  1.0
  O  O32  1  0.300  0.985  0.618  1.0
  O  O33  1  0.167  0.746  0.448  1.0
  O  O34  1  0.541  0.267  0.758  1.0
  O  O35  1  0.172  0.177  0.404  1.0
  O  O36  1  0.746  0.167  0.948  1.0
  O  O37  1  0.254  0.833  0.052  1.0
  O  O38  1  0.260  0.473  0.842  1.0
  O  O39  1  0.595  0.952  0.781  1.0
[/CIF]
.