The material structure described by Li2Cr3(P2O7)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(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   6.092
_cell_length_b   6.648
_cell_length_c   7.465
_cell_angle_alpha   75.271
_cell_angle_beta   77.541
_cell_angle_gamma   71.698
_symmetry_Int_Tables_number   1
_cell_volume   274.559
_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  0.615  0.027  0.700  1.0
  Li  Li1  1  0.385  0.973  0.300  1.0
  Cr  Cr2  1  0.781  0.512  0.670  1.0
  Cr  Cr3  1  0.219  0.488  0.330  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.175  0.746  0.667  1.0
  P  P6  1  0.354  0.321  0.926  1.0
  P  P7  1  0.646  0.679  0.074  1.0
  P  P8  1  0.825  0.254  0.333  1.0
  O  O9  1  0.344  0.290  0.137  1.0
  O  O10  1  0.594  0.219  0.439  1.0
  O  O11  1  0.938  0.356  0.444  1.0
  O  O12  1  0.062  0.644  0.556  1.0
  O  O13  1  0.241  0.173  0.871  1.0
  O  O14  1  0.759  0.827  0.129  1.0
  O  O15  1  0.998  0.941  0.738  1.0
  O  O16  1  0.002  0.059  0.262  1.0
  O  O17  1  0.397  0.711  0.183  1.0
  O  O18  1  0.656  0.710  0.863  1.0
  O  O19  1  0.406  0.781  0.561  1.0
  O  O20  1  0.603  0.289  0.817  1.0
  O  O21  1  0.787  0.429  0.136  1.0
  O  O22  1  0.213  0.571  0.864  1.0
[/CIF]
.
The material structure described by Li2Cr3(P2O7)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(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   6.092
_cell_length_b   6.648
_cell_length_c   7.465
_cell_angle_alpha   75.271
_cell_angle_beta   77.541
_cell_angle_gamma   71.698
_symmetry_Int_Tables_number   1
_cell_volume   274.559
_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  0.615  0.027  0.700  1.0
  Li  Li1  1  0.385  0.973  0.300  1.0
  Cr  Cr2  1  0.781  0.512  0.670  1.0
  Cr  Cr3  1  0.219  0.488  0.330  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.175  0.746  0.667  1.0
  P  P6  1  0.354  0.321  0.926  1.0
  P  P7  1  0.646  0.679  0.074  1.0
  P  P8  1  0.825  0.254  0.333  1.0
  O  O9  1  0.344  0.290  0.137  1.0
  O  O10  1  0.594  0.219  0.439  1.0
  O  O11  1  0.938  0.356  0.444  1.0
  O  O12  1  0.062  0.644  0.556  1.0
  O  O13  1  0.241  0.173  0.871  1.0
  O  O14  1  0.759  0.827  0.129  1.0
  O  O15  1  0.998  0.941  0.738  1.0
  O  O16  1  0.002  0.059  0.262  1.0
  O  O17  1  0.397  0.711  0.183  1.0
  O  O18  1  0.656  0.710  0.863  1.0
  O  O19  1  0.406  0.781  0.561  1.0
  O  O20  1  0.603  0.289  0.817  1.0
  O  O21  1  0.787  0.429  0.136  1.0
  O  O22  1  0.213  0.571  0.864  1.0
[/CIF]
.