The compound described by LiAg4(RuO3)4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to one O(2), one O(5), and four equivalent O(3) atoms to form LiO6 octahedra that share faces with two equivalent Ru(1)O6 octahedra and faces with two equivalent Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the second Ru site, Ru(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a hexagonal planar geometry to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the second Ag site, Ag(2) is bonded in a hexagonal planar geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(1), and two equivalent Ag(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ru(2) and two equivalent Ag(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(2), and two equivalent Ag(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg4(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.300
_cell_length_b   7.293
_cell_length_c   7.285
_cell_angle_alpha   60.034
_cell_angle_beta   90.000
_cell_angle_gamma   120.033
_symmetry_Int_Tables_number   1
_cell_volume   274.237
_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  0.374  0.748  0.376  1.0
  Ag  Ag1  1  0.500  0.500  1.000  1.0
  Ag  Ag2  1  1.000  1.000  1.000  1.0
  Ag  Ag3  1  0.000  0.500  1.000  1.0
  Ag  Ag4  1  1.000  1.000  0.500  1.0
  Ru  Ru5  1  0.504  0.009  0.987  1.0
  Ru  Ru6  1  0.504  0.009  0.505  1.0
  Ru  Ru7  1  0.505  0.490  0.505  1.0
  Ru  Ru8  1  0.986  0.490  0.505  1.0
  O  O9  1  0.820  0.250  0.429  1.0
  O  O10  1  0.572  0.144  0.178  1.0
  O  O11  1  0.572  0.750  0.178  1.0
  O  O12  1  0.820  0.250  0.821  1.0
  O  O13  1  0.821  0.642  0.429  1.0
  O  O14  1  0.429  0.250  0.429  1.0
  O  O15  1  0.572  0.750  0.573  1.0
  O  O16  1  0.177  0.750  0.178  1.0
  O  O17  1  0.177  0.354  0.573  1.0
  O  O18  1  0.429  0.250  0.821  1.0
  O  O19  1  0.429  0.858  0.821  1.0
  O  O20  1  0.177  0.750  0.573  1.0
[/CIF]
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The compound described by LiAg4(RuO3)4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to one O(2), one O(5), and four equivalent O(3) atoms to form LiO6 octahedra that share faces with two equivalent Ru(1)O6 octahedra and faces with two equivalent Ru(2)O6 octahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the second Ru site, Ru(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a hexagonal planar geometry to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the second Ag site, Ag(2) is bonded in a hexagonal planar geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(1), and two equivalent Ag(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ru(2) and two equivalent Ag(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(2), and two equivalent Ag(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg4(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.300
_cell_length_b   7.293
_cell_length_c   7.285
_cell_angle_alpha   60.034
_cell_angle_beta   90.000
_cell_angle_gamma   120.033
_symmetry_Int_Tables_number   1
_cell_volume   274.237
_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  0.374  0.748  0.376  1.0
  Ag  Ag1  1  0.500  0.500  1.000  1.0
  Ag  Ag2  1  1.000  1.000  1.000  1.0
  Ag  Ag3  1  0.000  0.500  1.000  1.0
  Ag  Ag4  1  1.000  1.000  0.500  1.0
  Ru  Ru5  1  0.504  0.009  0.987  1.0
  Ru  Ru6  1  0.504  0.009  0.505  1.0
  Ru  Ru7  1  0.505  0.490  0.505  1.0
  Ru  Ru8  1  0.986  0.490  0.505  1.0
  O  O9  1  0.820  0.250  0.429  1.0
  O  O10  1  0.572  0.144  0.178  1.0
  O  O11  1  0.572  0.750  0.178  1.0
  O  O12  1  0.820  0.250  0.821  1.0
  O  O13  1  0.821  0.642  0.429  1.0
  O  O14  1  0.429  0.250  0.429  1.0
  O  O15  1  0.572  0.750  0.573  1.0
  O  O16  1  0.177  0.750  0.178  1.0
  O  O17  1  0.177  0.354  0.573  1.0
  O  O18  1  0.429  0.250  0.821  1.0
  O  O19  1  0.429  0.858  0.821  1.0
  O  O20  1  0.177  0.750  0.573  1.0
[/CIF]
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