The material described by LiCr2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(3), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth P site, P(4) is bonded to two equivalent O(10) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one 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(2) 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 bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to two equivalent P(3) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.154
_cell_length_c   8.693
_cell_angle_alpha   70.182
_cell_angle_beta   70.182
_cell_angle_gamma   74.030
_symmetry_Int_Tables_number   1
_cell_volume   387.283
_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  0.483  0.008  0.236  1.0
  Li  Li1  1  0.992  0.517  0.764  1.0
  Cr  Cr2  1  0.885  0.364  0.205  1.0
  Cr  Cr3  1  0.363  0.885  0.704  1.0
  Cr  Cr4  1  0.636  0.115  0.795  1.0
  Cr  Cr5  1  0.115  0.637  0.296  1.0
  P  P6  1  0.042  0.958  0.500  1.0
  P  P7  1  0.320  0.452  0.963  1.0
  P  P8  1  0.678  0.548  0.538  1.0
  P  P9  1  0.957  0.043  0.000  1.0
  P  P10  1  0.452  0.322  0.462  1.0
  P  P11  1  0.548  0.680  0.037  1.0
  O  O12  1  0.879  0.983  0.662  1.0
  O  O13  1  0.763  0.619  0.053  1.0
  O  O14  1  0.260  0.954  0.509  1.0
  O  O15  1  0.985  0.880  0.162  1.0
  O  O16  1  0.017  0.121  0.338  1.0
  O  O17  1  0.120  0.015  0.838  1.0
  O  O18  1  0.240  0.381  0.441  1.0
  O  O19  1  0.470  0.147  0.625  1.0
  O  O20  1  0.617  0.275  0.306  1.0
  O  O21  1  0.046  0.740  0.491  1.0
  O  O22  1  0.381  0.237  0.947  1.0
  O  O23  1  0.490  0.510  0.500  1.0
  O  O24  1  0.386  0.729  0.193  1.0
  O  O25  1  0.271  0.614  0.807  1.0
  O  O26  1  0.739  0.046  0.991  1.0
  O  O27  1  0.146  0.472  0.126  1.0
  O  O28  1  0.725  0.383  0.694  1.0
  O  O29  1  0.853  0.530  0.375  1.0
  O  O30  1  0.507  0.493  0.000  1.0
  O  O31  1  0.619  0.760  0.559  1.0
  O  O32  1  0.954  0.261  0.009  1.0
  O  O33  1  0.528  0.854  0.874  1.0
[/CIF]
.
The material described by LiCr2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(3), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(6), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth P site, P(4) is bonded to two equivalent O(10) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one 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(2) 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 bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to two equivalent P(3) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.154
_cell_length_c   8.693
_cell_angle_alpha   70.182
_cell_angle_beta   70.182
_cell_angle_gamma   74.030
_symmetry_Int_Tables_number   1
_cell_volume   387.283
_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  0.483  0.008  0.236  1.0
  Li  Li1  1  0.992  0.517  0.764  1.0
  Cr  Cr2  1  0.885  0.364  0.205  1.0
  Cr  Cr3  1  0.363  0.885  0.704  1.0
  Cr  Cr4  1  0.636  0.115  0.795  1.0
  Cr  Cr5  1  0.115  0.637  0.296  1.0
  P  P6  1  0.042  0.958  0.500  1.0
  P  P7  1  0.320  0.452  0.963  1.0
  P  P8  1  0.678  0.548  0.538  1.0
  P  P9  1  0.957  0.043  0.000  1.0
  P  P10  1  0.452  0.322  0.462  1.0
  P  P11  1  0.548  0.680  0.037  1.0
  O  O12  1  0.879  0.983  0.662  1.0
  O  O13  1  0.763  0.619  0.053  1.0
  O  O14  1  0.260  0.954  0.509  1.0
  O  O15  1  0.985  0.880  0.162  1.0
  O  O16  1  0.017  0.121  0.338  1.0
  O  O17  1  0.120  0.015  0.838  1.0
  O  O18  1  0.240  0.381  0.441  1.0
  O  O19  1  0.470  0.147  0.625  1.0
  O  O20  1  0.617  0.275  0.306  1.0
  O  O21  1  0.046  0.740  0.491  1.0
  O  O22  1  0.381  0.237  0.947  1.0
  O  O23  1  0.490  0.510  0.500  1.0
  O  O24  1  0.386  0.729  0.193  1.0
  O  O25  1  0.271  0.614  0.807  1.0
  O  O26  1  0.739  0.046  0.991  1.0
  O  O27  1  0.146  0.472  0.126  1.0
  O  O28  1  0.725  0.383  0.694  1.0
  O  O29  1  0.853  0.530  0.375  1.0
  O  O30  1  0.507  0.493  0.000  1.0
  O  O31  1  0.619  0.760  0.559  1.0
  O  O32  1  0.954  0.261  0.009  1.0
  O  O33  1  0.528  0.854  0.874  1.0
[/CIF]
.