The compound described by LiCr(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(14) atom. Cr(1) is bonded to one O(15), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the second P site, P(2) is bonded to one O(11), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(12) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the fifth P site, P(5) is bonded to one O(1), one O(13), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to 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 Cr(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiCr(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.699
_cell_length_b   5.263
_cell_length_c   13.127
_cell_angle_alpha   70.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.454
_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  0.608  0.051  0.567  1.0
  Li  Li1  1  0.392  0.051  0.067  1.0
  Cr  Cr2  1  0.003  0.011  0.496  1.0
  Cr  Cr3  1  0.997  0.011  0.996  1.0
  P  P4  1  0.824  0.596  0.412  1.0
  P  P5  1  0.178  0.428  0.581  1.0
  P  P6  1  0.528  0.467  0.143  1.0
  P  P7  1  0.822  0.428  0.081  1.0
  P  P8  1  0.472  0.467  0.643  1.0
  P  P9  1  0.983  0.012  0.246  1.0
  P  P10  1  0.530  0.525  0.360  1.0
  P  P11  1  0.470  0.525  0.860  1.0
  P  P12  1  0.176  0.596  0.912  1.0
  P  P13  1  0.017  0.012  0.746  1.0
  O  O14  1  0.593  0.489  0.253  1.0
  O  O15  1  0.941  0.973  0.651  1.0
  O  O16  1  0.881  0.755  0.292  1.0
  O  O17  1  0.869  0.300  1.000  1.0
  O  O18  1  0.848  0.725  0.057  1.0
  O  O19  1  0.940  0.048  0.840  1.0
  O  O20  1  0.060  0.048  0.340  1.0
  O  O21  1  0.848  0.296  0.438  1.0
  O  O22  1  0.411  0.716  0.340  1.0
  O  O23  1  0.118  0.266  0.700  1.0
  O  O24  1  0.582  0.256  0.663  1.0
  O  O25  1  0.337  0.359  0.599  1.0
  O  O26  1  0.059  0.973  0.151  1.0
  O  O27  1  0.510  0.743  0.573  1.0
  O  O28  1  0.664  0.660  0.396  1.0
  O  O29  1  0.336  0.660  0.896  1.0
  O  O30  1  0.152  0.296  0.938  1.0
  O  O31  1  0.882  0.266  0.200  1.0
  O  O32  1  0.152  0.725  0.557  1.0
  O  O33  1  0.119  0.755  0.792  1.0
  O  O34  1  0.495  0.250  0.939  1.0
  O  O35  1  0.663  0.359  0.099  1.0
  O  O36  1  0.872  0.725  0.492  1.0
  O  O37  1  0.131  0.300  0.500  1.0
  O  O38  1  0.490  0.743  0.073  1.0
  O  O39  1  0.407  0.489  0.753  1.0
  O  O40  1  0.418  0.256  0.163  1.0
  O  O41  1  0.505  0.250  0.439  1.0
  O  O42  1  0.589  0.716  0.840  1.0
  O  O43  1  0.128  0.725  0.992  1.0
[/CIF]
.
The compound described by LiCr(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(14) atom. Cr(1) is bonded to one O(15), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(15), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the second P site, P(2) is bonded to one O(11), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-42°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(11), and one O(12) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the fifth P site, P(5) is bonded to one O(1), one O(13), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to 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 Cr(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Li(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiCr(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.699
_cell_length_b   5.263
_cell_length_c   13.127
_cell_angle_alpha   70.712
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   632.454
_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  0.608  0.051  0.567  1.0
  Li  Li1  1  0.392  0.051  0.067  1.0
  Cr  Cr2  1  0.003  0.011  0.496  1.0
  Cr  Cr3  1  0.997  0.011  0.996  1.0
  P  P4  1  0.824  0.596  0.412  1.0
  P  P5  1  0.178  0.428  0.581  1.0
  P  P6  1  0.528  0.467  0.143  1.0
  P  P7  1  0.822  0.428  0.081  1.0
  P  P8  1  0.472  0.467  0.643  1.0
  P  P9  1  0.983  0.012  0.246  1.0
  P  P10  1  0.530  0.525  0.360  1.0
  P  P11  1  0.470  0.525  0.860  1.0
  P  P12  1  0.176  0.596  0.912  1.0
  P  P13  1  0.017  0.012  0.746  1.0
  O  O14  1  0.593  0.489  0.253  1.0
  O  O15  1  0.941  0.973  0.651  1.0
  O  O16  1  0.881  0.755  0.292  1.0
  O  O17  1  0.869  0.300  1.000  1.0
  O  O18  1  0.848  0.725  0.057  1.0
  O  O19  1  0.940  0.048  0.840  1.0
  O  O20  1  0.060  0.048  0.340  1.0
  O  O21  1  0.848  0.296  0.438  1.0
  O  O22  1  0.411  0.716  0.340  1.0
  O  O23  1  0.118  0.266  0.700  1.0
  O  O24  1  0.582  0.256  0.663  1.0
  O  O25  1  0.337  0.359  0.599  1.0
  O  O26  1  0.059  0.973  0.151  1.0
  O  O27  1  0.510  0.743  0.573  1.0
  O  O28  1  0.664  0.660  0.396  1.0
  O  O29  1  0.336  0.660  0.896  1.0
  O  O30  1  0.152  0.296  0.938  1.0
  O  O31  1  0.882  0.266  0.200  1.0
  O  O32  1  0.152  0.725  0.557  1.0
  O  O33  1  0.119  0.755  0.792  1.0
  O  O34  1  0.495  0.250  0.939  1.0
  O  O35  1  0.663  0.359  0.099  1.0
  O  O36  1  0.872  0.725  0.492  1.0
  O  O37  1  0.131  0.300  0.500  1.0
  O  O38  1  0.490  0.743  0.073  1.0
  O  O39  1  0.407  0.489  0.753  1.0
  O  O40  1  0.418  0.256  0.163  1.0
  O  O41  1  0.505  0.250  0.439  1.0
  O  O42  1  0.589  0.716  0.840  1.0
  O  O43  1  0.128  0.725  0.992  1.0
[/CIF]
.