The material structure described by LiCrP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(15), one O(16), and one O(23) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(13), one O(17), one O(24), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(12), one O(19), one O(2), and one O(20) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(22), one O(24), one O(25), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(21), and one O(26) 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(17), one O(19), one O(21), and one O(9) 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(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the third P site, P(3) is bonded to one O(1), one O(18), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the fourth P site, P(4) is bonded to one O(14), one O(25), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fifth P site, P(5) is bonded to one O(11), one O(13), one O(20), and one O(26) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the sixth P site, P(6) is bonded to one O(24), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh P site, P(7) is bonded to one O(1), one O(15), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the eighth P site, P(8) is bonded to one O(10), one O(12), one O(23), 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(6) and one P(7) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(2) and one P(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(8) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Li(2) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(7) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(1) and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. is represented by the CIF file [CIF]
data_LiCrP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.889
_cell_length_c   13.530
_cell_angle_alpha   78.716
_cell_angle_beta   88.248
_cell_angle_gamma   81.597
_symmetry_Int_Tables_number   1
_cell_volume   532.241
_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  0.950  0.644  0.493  1.0
  Li  Li1  1  0.453  0.336  0.996  1.0
  Cr  Cr2  1  0.451  0.046  0.756  1.0
  Cr  Cr3  1  0.548  0.952  0.242  1.0
  P  P4  1  0.645  0.425  0.679  1.0
  P  P5  1  0.313  0.656  0.804  1.0
  P  P6  1  0.090  0.803  0.138  1.0
  P  P7  1  0.010  0.104  0.346  1.0
  P  P8  1  0.911  0.196  0.857  1.0
  P  P9  1  0.678  0.346  0.196  1.0
  P  P10  1  0.355  0.577  0.320  1.0
  P  P11  1  0.988  0.894  0.653  1.0
  O  O12  1  0.140  0.640  0.231  1.0
  O  O13  1  0.461  0.286  0.689  1.0
  O  O14  1  0.957  0.262  0.249  1.0
  O  O15  1  0.264  0.940  0.154  1.0
  O  O16  1  0.801  0.880  0.141  1.0
  O  O17  1  0.512  0.402  0.291  1.0
  O  O18  1  0.837  0.965  0.335  1.0
  O  O19  1  0.706  0.489  0.111  1.0
  O  O20  1  0.036  0.735  0.752  1.0
  O  O21  1  0.156  0.033  0.670  1.0
  O  O22  1  0.210  0.133  0.857  1.0
  O  O23  1  0.691  0.964  0.658  1.0
  O  O24  1  0.810  0.254  0.953  1.0
  O  O25  1  0.926  0.175  0.442  1.0
  O  O26  1  0.217  0.533  0.417  1.0
  O  O27  1  0.764  0.481  0.580  1.0
  O  O28  1  0.287  0.511  0.889  1.0
  O  O29  1  0.173  0.747  0.040  1.0
  O  O30  1  0.442  0.811  0.825  1.0
  O  O31  1  0.752  0.055  0.836  1.0
  O  O32  1  0.485  0.595  0.712  1.0
  O  O33  1  0.549  0.708  0.311  1.0
  O  O34  1  0.056  0.817  0.561  1.0
  O  O35  1  0.547  0.197  0.170  1.0
  O  O36  1  0.300  0.032  0.345  1.0
  O  O37  1  0.869  0.360  0.763  1.0
[/CIF]
.
The material structure described by LiCrP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(15), one O(16), and one O(23) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(13), one O(17), one O(24), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(12), one O(19), one O(2), and one O(20) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(22), one O(24), one O(25), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(21), and one O(26) 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the second P site, P(2) is bonded to one O(17), one O(19), one O(21), and one O(9) 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(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the third P site, P(3) is bonded to one O(1), one O(18), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the fourth P site, P(4) is bonded to one O(14), one O(25), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the fifth P site, P(5) is bonded to one O(11), one O(13), one O(20), and one O(26) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the sixth P site, P(6) is bonded to one O(24), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the seventh P site, P(7) is bonded to one O(1), one O(15), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the eighth P site, P(8) is bonded to one O(10), one O(12), one O(23), 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(6) and one P(7) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(2) and one P(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(8) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(8) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Li(2) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(2) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(7) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Li(1) and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. is represented by the CIF file [CIF]
data_LiCrP4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.889
_cell_length_c   13.530
_cell_angle_alpha   78.716
_cell_angle_beta   88.248
_cell_angle_gamma   81.597
_symmetry_Int_Tables_number   1
_cell_volume   532.241
_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  0.950  0.644  0.493  1.0
  Li  Li1  1  0.453  0.336  0.996  1.0
  Cr  Cr2  1  0.451  0.046  0.756  1.0
  Cr  Cr3  1  0.548  0.952  0.242  1.0
  P  P4  1  0.645  0.425  0.679  1.0
  P  P5  1  0.313  0.656  0.804  1.0
  P  P6  1  0.090  0.803  0.138  1.0
  P  P7  1  0.010  0.104  0.346  1.0
  P  P8  1  0.911  0.196  0.857  1.0
  P  P9  1  0.678  0.346  0.196  1.0
  P  P10  1  0.355  0.577  0.320  1.0
  P  P11  1  0.988  0.894  0.653  1.0
  O  O12  1  0.140  0.640  0.231  1.0
  O  O13  1  0.461  0.286  0.689  1.0
  O  O14  1  0.957  0.262  0.249  1.0
  O  O15  1  0.264  0.940  0.154  1.0
  O  O16  1  0.801  0.880  0.141  1.0
  O  O17  1  0.512  0.402  0.291  1.0
  O  O18  1  0.837  0.965  0.335  1.0
  O  O19  1  0.706  0.489  0.111  1.0
  O  O20  1  0.036  0.735  0.752  1.0
  O  O21  1  0.156  0.033  0.670  1.0
  O  O22  1  0.210  0.133  0.857  1.0
  O  O23  1  0.691  0.964  0.658  1.0
  O  O24  1  0.810  0.254  0.953  1.0
  O  O25  1  0.926  0.175  0.442  1.0
  O  O26  1  0.217  0.533  0.417  1.0
  O  O27  1  0.764  0.481  0.580  1.0
  O  O28  1  0.287  0.511  0.889  1.0
  O  O29  1  0.173  0.747  0.040  1.0
  O  O30  1  0.442  0.811  0.825  1.0
  O  O31  1  0.752  0.055  0.836  1.0
  O  O32  1  0.485  0.595  0.712  1.0
  O  O33  1  0.549  0.708  0.311  1.0
  O  O34  1  0.056  0.817  0.561  1.0
  O  O35  1  0.547  0.197  0.170  1.0
  O  O36  1  0.300  0.032  0.345  1.0
  O  O37  1  0.869  0.360  0.763  1.0
[/CIF]
.