The material structure described by Li3Cr4(PO4)6 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(20), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(17), one O(4), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(19), one O(21), one O(4), and one O(6) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(14), one O(17), one O(4), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(11), one O(15), one O(19), one O(21), one O(24), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(13), one O(18), one O(20), one O(22), one O(23), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(23), one O(24), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-48°. In the second P site, P(2) is bonded to one O(16), one O(22), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-41°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-47°. In the fifth P site, P(5) is bonded to one O(17), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(2), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Cr(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Cr(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.489
_cell_length_c   8.549
_cell_angle_alpha   60.659
_cell_angle_beta   60.510
_cell_angle_gamma   61.005
_symmetry_Int_Tables_number   1
_cell_volume   441.554
_cell_formula_units_Z   1
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  0.512  0.001  0.985  1.0
  Li  Li1  1  0.251  0.138  0.348  1.0
  Li  Li2  1  0.993  0.510  0.498  1.0
  Cr  Cr3  1  0.640  0.139  0.144  1.0
  Cr  Cr4  1  0.860  0.364  0.353  1.0
  Cr  Cr5  1  0.136  0.635  0.649  1.0
  Cr  Cr6  1  0.363  0.860  0.856  1.0
  P  P7  1  0.252  0.457  0.035  1.0
  P  P8  1  0.960  0.038  0.752  1.0
  P  P9  1  0.543  0.746  0.466  1.0
  P  P10  1  0.451  0.251  0.537  1.0
  P  P11  1  0.045  0.958  0.251  1.0
  P  P12  1  0.748  0.545  0.964  1.0
  O  O13  1  0.812  0.523  0.114  1.0
  O  O14  1  0.686  0.381  0.014  1.0
  O  O15  1  0.875  0.996  0.204  1.0
  O  O16  1  0.952  0.226  0.578  1.0
  O  O17  1  0.410  0.258  0.062  1.0
  O  O18  1  0.738  0.588  0.441  1.0
  O  O19  1  0.538  0.916  0.277  1.0
  O  O20  1  0.992  0.872  0.700  1.0
  O  O21  1  0.239  0.933  0.082  1.0
  O  O22  1  0.621  0.310  0.479  1.0
  O  O23  1  0.909  0.560  0.764  1.0
  O  O24  1  0.464  0.192  0.387  1.0
  O  O25  1  0.519  0.812  0.619  1.0
  O  O26  1  0.095  0.438  0.236  1.0
  O  O27  1  0.376  0.682  0.521  1.0
  O  O28  1  0.767  0.061  0.914  1.0
  O  O29  1  0.030  0.120  0.297  1.0
  O  O30  1  0.442  0.091  0.733  1.0
  O  O31  1  0.257  0.416  0.562  1.0
  O  O32  1  0.588  0.741  0.939  1.0
  O  O33  1  0.066  0.764  0.414  1.0
  O  O34  1  0.129  0.006  0.799  1.0
  O  O35  1  0.317  0.620  0.983  1.0
  O  O36  1  0.185  0.481  0.886  1.0
[/CIF]
.
The material structure described by Li3Cr4(PO4)6 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(20), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(17), one O(4), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(19), one O(21), one O(4), and one O(6) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(14), one O(17), one O(4), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(11), one O(15), one O(19), one O(21), one O(24), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(13), one O(18), one O(20), one O(22), one O(23), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(23), one O(24), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-48°. In the second P site, P(2) is bonded to one O(16), one O(22), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-41°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(18), and one O(19) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-47°. In the fifth P site, P(5) is bonded to one O(17), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(2), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Cr(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Cr(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Cr(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Cr(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Cr4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.489
_cell_length_c   8.549
_cell_angle_alpha   60.659
_cell_angle_beta   60.510
_cell_angle_gamma   61.005
_symmetry_Int_Tables_number   1
_cell_volume   441.554
_cell_formula_units_Z   1
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  0.512  0.001  0.985  1.0
  Li  Li1  1  0.251  0.138  0.348  1.0
  Li  Li2  1  0.993  0.510  0.498  1.0
  Cr  Cr3  1  0.640  0.139  0.144  1.0
  Cr  Cr4  1  0.860  0.364  0.353  1.0
  Cr  Cr5  1  0.136  0.635  0.649  1.0
  Cr  Cr6  1  0.363  0.860  0.856  1.0
  P  P7  1  0.252  0.457  0.035  1.0
  P  P8  1  0.960  0.038  0.752  1.0
  P  P9  1  0.543  0.746  0.466  1.0
  P  P10  1  0.451  0.251  0.537  1.0
  P  P11  1  0.045  0.958  0.251  1.0
  P  P12  1  0.748  0.545  0.964  1.0
  O  O13  1  0.812  0.523  0.114  1.0
  O  O14  1  0.686  0.381  0.014  1.0
  O  O15  1  0.875  0.996  0.204  1.0
  O  O16  1  0.952  0.226  0.578  1.0
  O  O17  1  0.410  0.258  0.062  1.0
  O  O18  1  0.738  0.588  0.441  1.0
  O  O19  1  0.538  0.916  0.277  1.0
  O  O20  1  0.992  0.872  0.700  1.0
  O  O21  1  0.239  0.933  0.082  1.0
  O  O22  1  0.621  0.310  0.479  1.0
  O  O23  1  0.909  0.560  0.764  1.0
  O  O24  1  0.464  0.192  0.387  1.0
  O  O25  1  0.519  0.812  0.619  1.0
  O  O26  1  0.095  0.438  0.236  1.0
  O  O27  1  0.376  0.682  0.521  1.0
  O  O28  1  0.767  0.061  0.914  1.0
  O  O29  1  0.030  0.120  0.297  1.0
  O  O30  1  0.442  0.091  0.733  1.0
  O  O31  1  0.257  0.416  0.562  1.0
  O  O32  1  0.588  0.741  0.939  1.0
  O  O33  1  0.066  0.764  0.414  1.0
  O  O34  1  0.129  0.006  0.799  1.0
  O  O35  1  0.317  0.620  0.983  1.0
  O  O36  1  0.185  0.481  0.886  1.0
[/CIF]
.