The structure described by LiP4(RuO7)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(7) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form RuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the second Ru site, Ru(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ru(2)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-57°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ru(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ru(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ru(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ru(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ru(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Ru(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiP4(RuO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   7.011
_cell_length_c   7.974
_cell_angle_alpha   91.630
_cell_angle_beta   92.538
_cell_angle_gamma   106.395
_symmetry_Int_Tables_number   1
_cell_volume   260.186
_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  0.000  0.000  0.500  1.0
  P  P1  1  0.379  0.772  0.796  1.0
  P  P2  1  0.621  0.228  0.204  1.0
  P  P3  1  0.027  0.628  0.260  1.0
  P  P4  1  0.973  0.372  0.740  1.0
  Ru  Ru5  1  0.500  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.106  0.801  0.147  1.0
  O  O8  1  0.894  0.199  0.853  1.0
  O  O9  1  0.483  0.762  0.617  1.0
  O  O10  1  0.517  0.238  0.383  1.0
  O  O11  1  0.197  0.552  0.844  1.0
  O  O12  1  0.803  0.448  0.156  1.0
  O  O13  1  0.178  0.909  0.792  1.0
  O  O14  1  0.822  0.091  0.208  1.0
  O  O15  1  0.297  0.560  0.297  1.0
  O  O16  1  0.703  0.440  0.703  1.0
  O  O17  1  0.614  0.818  0.937  1.0
  O  O18  1  0.386  0.182  0.063  1.0
  O  O19  1  0.116  0.322  0.579  1.0
  O  O20  1  0.884  0.678  0.421  1.0
[/CIF]
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The structure described by LiP4(RuO7)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(7) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form RuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. In the second Ru site, Ru(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ru(2)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-57°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ru(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ru(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Ru(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ru(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ru(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Ru(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiP4(RuO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   7.011
_cell_length_c   7.974
_cell_angle_alpha   91.630
_cell_angle_beta   92.538
_cell_angle_gamma   106.395
_symmetry_Int_Tables_number   1
_cell_volume   260.186
_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  0.000  0.000  0.500  1.0
  P  P1  1  0.379  0.772  0.796  1.0
  P  P2  1  0.621  0.228  0.204  1.0
  P  P3  1  0.027  0.628  0.260  1.0
  P  P4  1  0.973  0.372  0.740  1.0
  Ru  Ru5  1  0.500  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.106  0.801  0.147  1.0
  O  O8  1  0.894  0.199  0.853  1.0
  O  O9  1  0.483  0.762  0.617  1.0
  O  O10  1  0.517  0.238  0.383  1.0
  O  O11  1  0.197  0.552  0.844  1.0
  O  O12  1  0.803  0.448  0.156  1.0
  O  O13  1  0.178  0.909  0.792  1.0
  O  O14  1  0.822  0.091  0.208  1.0
  O  O15  1  0.297  0.560  0.297  1.0
  O  O16  1  0.703  0.440  0.703  1.0
  O  O17  1  0.614  0.818  0.937  1.0
  O  O18  1  0.386  0.182  0.063  1.0
  O  O19  1  0.116  0.322  0.579  1.0
  O  O20  1  0.884  0.678  0.421  1.0
[/CIF]
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