The compound described by Li2Cr3(P2O7)2 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 distorted T-shaped geometry to one O(4) and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(7) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(14), one O(4), one O(7), and one O(9) atom to form distorted 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. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(5), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(5), one O(7), 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(14), and one O(3) 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 19-50°. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(4) 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 56-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Li(1), and one P(4) atom to form edge-sharing OLi3P trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   6.470
_cell_length_c   16.842
_cell_angle_alpha   92.293
_cell_angle_beta   96.224
_cell_angle_gamma   108.329
_symmetry_Int_Tables_number   1
_cell_volume   557.776
_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  0.907  0.188  0.995  1.0
  Li  Li1  1  0.555  0.696  0.890  1.0
  Li  Li2  1  0.445  0.304  0.110  1.0
  Li  Li3  1  0.093  0.812  0.005  1.0
  Cr  Cr4  1  0.861  0.380  0.818  1.0
  Cr  Cr5  1  0.759  0.721  0.582  1.0
  Cr  Cr6  1  0.585  0.025  0.333  1.0
  Cr  Cr7  1  0.241  0.279  0.418  1.0
  Cr  Cr8  1  0.415  0.975  0.667  1.0
  Cr  Cr9  1  0.139  0.620  0.182  1.0
  P  P10  1  0.013  0.084  0.201  1.0
  P  P11  1  0.697  0.567  0.321  1.0
  P  P12  1  0.303  0.433  0.679  1.0
  P  P13  1  0.850  0.230  0.548  1.0
  P  P14  1  0.375  0.242  0.927  1.0
  P  P15  1  0.150  0.770  0.452  1.0
  P  P16  1  0.987  0.916  0.799  1.0
  P  P17  1  0.625  0.758  0.073  1.0
  O  O18  1  0.482  0.299  0.704  1.0
  O  O19  1  0.301  0.975  0.411  1.0
  O  O20  1  0.859  0.690  0.405  1.0
  O  O21  1  0.672  0.304  0.926  1.0
  O  O22  1  0.074  0.886  0.718  1.0
  O  O23  1  0.720  0.403  0.552  1.0
  O  O24  1  0.141  0.310  0.595  1.0
  O  O25  1  0.864  0.700  0.837  1.0
  O  O26  1  0.893  0.166  0.463  1.0
  O  O27  1  0.280  0.597  0.448  1.0
  O  O28  1  0.801  0.050  0.801  1.0
  O  O29  1  0.271  0.429  0.908  1.0
  O  O30  1  0.699  0.025  0.589  1.0
  O  O31  1  0.720  0.859  0.995  1.0
  O  O32  1  0.280  0.141  0.005  1.0
  O  O33  1  0.535  0.338  0.344  1.0
  O  O34  1  0.199  0.950  0.199  1.0
  O  O35  1  0.926  0.114  0.282  1.0
  O  O36  1  0.518  0.701  0.296  1.0
  O  O37  1  0.465  0.662  0.656  1.0
  O  O38  1  0.744  0.961  0.142  1.0
  O  O39  1  0.729  0.571  0.092  1.0
  O  O40  1  0.122  0.456  0.738  1.0
  O  O41  1  0.328  0.696  0.074  1.0
  O  O42  1  0.878  0.544  0.262  1.0
  O  O43  1  0.107  0.834  0.537  1.0
  O  O44  1  0.136  0.300  0.163  1.0
  O  O45  1  0.256  0.039  0.858  1.0
[/CIF]
.
The compound described by Li2Cr3(P2O7)2 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 distorted T-shaped geometry to one O(4) and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(7) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(14), one O(4), one O(7), and one O(9) atom to form distorted 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. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(5), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(5), one O(7), 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(14), and one O(3) 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 19-50°. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(4) 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 56-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cr(2), one Cr(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(2), one Cr(1), and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Li(1), and one P(4) atom to form edge-sharing OLi3P trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cr(2), one Cr(3), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   6.470
_cell_length_c   16.842
_cell_angle_alpha   92.293
_cell_angle_beta   96.224
_cell_angle_gamma   108.329
_symmetry_Int_Tables_number   1
_cell_volume   557.776
_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  0.907  0.188  0.995  1.0
  Li  Li1  1  0.555  0.696  0.890  1.0
  Li  Li2  1  0.445  0.304  0.110  1.0
  Li  Li3  1  0.093  0.812  0.005  1.0
  Cr  Cr4  1  0.861  0.380  0.818  1.0
  Cr  Cr5  1  0.759  0.721  0.582  1.0
  Cr  Cr6  1  0.585  0.025  0.333  1.0
  Cr  Cr7  1  0.241  0.279  0.418  1.0
  Cr  Cr8  1  0.415  0.975  0.667  1.0
  Cr  Cr9  1  0.139  0.620  0.182  1.0
  P  P10  1  0.013  0.084  0.201  1.0
  P  P11  1  0.697  0.567  0.321  1.0
  P  P12  1  0.303  0.433  0.679  1.0
  P  P13  1  0.850  0.230  0.548  1.0
  P  P14  1  0.375  0.242  0.927  1.0
  P  P15  1  0.150  0.770  0.452  1.0
  P  P16  1  0.987  0.916  0.799  1.0
  P  P17  1  0.625  0.758  0.073  1.0
  O  O18  1  0.482  0.299  0.704  1.0
  O  O19  1  0.301  0.975  0.411  1.0
  O  O20  1  0.859  0.690  0.405  1.0
  O  O21  1  0.672  0.304  0.926  1.0
  O  O22  1  0.074  0.886  0.718  1.0
  O  O23  1  0.720  0.403  0.552  1.0
  O  O24  1  0.141  0.310  0.595  1.0
  O  O25  1  0.864  0.700  0.837  1.0
  O  O26  1  0.893  0.166  0.463  1.0
  O  O27  1  0.280  0.597  0.448  1.0
  O  O28  1  0.801  0.050  0.801  1.0
  O  O29  1  0.271  0.429  0.908  1.0
  O  O30  1  0.699  0.025  0.589  1.0
  O  O31  1  0.720  0.859  0.995  1.0
  O  O32  1  0.280  0.141  0.005  1.0
  O  O33  1  0.535  0.338  0.344  1.0
  O  O34  1  0.199  0.950  0.199  1.0
  O  O35  1  0.926  0.114  0.282  1.0
  O  O36  1  0.518  0.701  0.296  1.0
  O  O37  1  0.465  0.662  0.656  1.0
  O  O38  1  0.744  0.961  0.142  1.0
  O  O39  1  0.729  0.571  0.092  1.0
  O  O40  1  0.122  0.456  0.738  1.0
  O  O41  1  0.328  0.696  0.074  1.0
  O  O42  1  0.878  0.544  0.262  1.0
  O  O43  1  0.107  0.834  0.537  1.0
  O  O44  1  0.136  0.300  0.163  1.0
  O  O45  1  0.256  0.039  0.858  1.0
[/CIF]
.