The compound described by Li2CrP4O13 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 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(8) and two equivalent O(13) atoms. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Li2CrP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   7.959
_cell_length_c   13.332
_cell_angle_alpha   78.402
_cell_angle_beta   87.430
_cell_angle_gamma   81.960
_symmetry_Int_Tables_number   1
_cell_volume   520.525
_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  0.594  0.696  0.016  1.0
  Li  Li1  1  0.073  0.324  0.518  1.0
  Li  Li2  1  0.406  0.304  0.984  1.0
  Li  Li3  1  0.927  0.676  0.482  1.0
  Cr  Cr4  1  0.450  0.048  0.757  1.0
  Cr  Cr5  1  0.550  0.952  0.243  1.0
  P  P6  1  0.994  0.894  0.650  1.0
  P  P7  1  0.321  0.657  0.804  1.0
  P  P8  1  0.648  0.426  0.677  1.0
  P  P9  1  0.006  0.106  0.350  1.0
  P  P10  1  0.904  0.199  0.861  1.0
  P  P11  1  0.679  0.343  0.196  1.0
  P  P12  1  0.352  0.574  0.323  1.0
  P  P13  1  0.096  0.801  0.139  1.0
  O  O14  1  0.745  0.056  0.839  1.0
  O  O15  1  0.042  0.738  0.751  1.0
  O  O16  1  0.285  0.511  0.889  1.0
  O  O17  1  0.873  0.357  0.762  1.0
  O  O18  1  0.301  0.031  0.345  1.0
  O  O19  1  0.795  0.866  0.136  1.0
  O  O20  1  0.497  0.598  0.709  1.0
  O  O21  1  0.070  0.821  0.557  1.0
  O  O22  1  0.205  0.134  0.864  1.0
  O  O23  1  0.209  0.739  0.046  1.0
  O  O24  1  0.791  0.261  0.954  1.0
  O  O25  1  0.503  0.402  0.291  1.0
  O  O26  1  0.550  0.196  0.168  1.0
  O  O27  1  0.836  0.964  0.332  1.0
  O  O28  1  0.454  0.294  0.683  1.0
  O  O29  1  0.212  0.521  0.424  1.0
  O  O30  1  0.930  0.179  0.443  1.0
  O  O31  1  0.699  0.969  0.655  1.0
  O  O32  1  0.788  0.479  0.576  1.0
  O  O33  1  0.546  0.706  0.317  1.0
  O  O34  1  0.127  0.643  0.238  1.0
  O  O35  1  0.164  0.036  0.668  1.0
  O  O36  1  0.450  0.804  0.832  1.0
  O  O37  1  0.255  0.944  0.161  1.0
  O  O38  1  0.958  0.262  0.249  1.0
  O  O39  1  0.715  0.489  0.111  1.0
[/CIF]
.
The compound described by Li2CrP4O13 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 4-coordinate geometry to one O(10), one O(3), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(8) and two equivalent O(13) atoms. Cr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth P site, P(4) is bonded to one O(1), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one P(3) atom. is represented by the CIF card [CIF]
data_Li2CrP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   7.959
_cell_length_c   13.332
_cell_angle_alpha   78.402
_cell_angle_beta   87.430
_cell_angle_gamma   81.960
_symmetry_Int_Tables_number   1
_cell_volume   520.525
_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  0.594  0.696  0.016  1.0
  Li  Li1  1  0.073  0.324  0.518  1.0
  Li  Li2  1  0.406  0.304  0.984  1.0
  Li  Li3  1  0.927  0.676  0.482  1.0
  Cr  Cr4  1  0.450  0.048  0.757  1.0
  Cr  Cr5  1  0.550  0.952  0.243  1.0
  P  P6  1  0.994  0.894  0.650  1.0
  P  P7  1  0.321  0.657  0.804  1.0
  P  P8  1  0.648  0.426  0.677  1.0
  P  P9  1  0.006  0.106  0.350  1.0
  P  P10  1  0.904  0.199  0.861  1.0
  P  P11  1  0.679  0.343  0.196  1.0
  P  P12  1  0.352  0.574  0.323  1.0
  P  P13  1  0.096  0.801  0.139  1.0
  O  O14  1  0.745  0.056  0.839  1.0
  O  O15  1  0.042  0.738  0.751  1.0
  O  O16  1  0.285  0.511  0.889  1.0
  O  O17  1  0.873  0.357  0.762  1.0
  O  O18  1  0.301  0.031  0.345  1.0
  O  O19  1  0.795  0.866  0.136  1.0
  O  O20  1  0.497  0.598  0.709  1.0
  O  O21  1  0.070  0.821  0.557  1.0
  O  O22  1  0.205  0.134  0.864  1.0
  O  O23  1  0.209  0.739  0.046  1.0
  O  O24  1  0.791  0.261  0.954  1.0
  O  O25  1  0.503  0.402  0.291  1.0
  O  O26  1  0.550  0.196  0.168  1.0
  O  O27  1  0.836  0.964  0.332  1.0
  O  O28  1  0.454  0.294  0.683  1.0
  O  O29  1  0.212  0.521  0.424  1.0
  O  O30  1  0.930  0.179  0.443  1.0
  O  O31  1  0.699  0.969  0.655  1.0
  O  O32  1  0.788  0.479  0.576  1.0
  O  O33  1  0.546  0.706  0.317  1.0
  O  O34  1  0.127  0.643  0.238  1.0
  O  O35  1  0.164  0.036  0.668  1.0
  O  O36  1  0.450  0.804  0.832  1.0
  O  O37  1  0.255  0.944  0.161  1.0
  O  O38  1  0.958  0.262  0.249  1.0
  O  O39  1  0.715  0.489  0.111  1.0
[/CIF]
.