The structure described by LiAg4(RuO3)4 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second Ru site, Ru(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the third Ru site, Ru(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted hexagonal planar geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(8) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the third Ag site, Ag(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ru(2), one Ru(3), one Ag(2), and one Ag(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ru(1), one Ru(3), and two equivalent Ag(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(2), one Ag(1), and one Ag(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ru(2), one Ag(1), and one Ag(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(3), and two equivalent Ag(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Ru(2), one Ru(3), one Ag(2), and one Ag(3) atom. In the eighth O site, O(8) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg4(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   7.287
_cell_length_c   7.291
_cell_angle_alpha   60.020
_cell_angle_beta   90.007
_cell_angle_gamma   120.194
_symmetry_Int_Tables_number   1
_cell_volume   271.433
_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  0.220  0.981  0.759  1.0
  Ag  Ag1  1  0.443  0.462  0.019  1.0
  Ag  Ag2  1  0.032  0.060  0.024  1.0
  Ag  Ag3  1  0.032  0.448  0.024  1.0
  Ag  Ag4  1  0.033  0.060  0.413  1.0
  Ru  Ru5  1  0.504  0.999  0.006  1.0
  Ru  Ru6  1  0.504  1.000  0.495  1.0
  Ru  Ru7  1  0.504  0.510  0.495  1.0
  Ru  Ru8  1  0.001  0.501  0.500  1.0
  O  O9  1  0.817  0.251  0.435  1.0
  O  O10  1  0.569  0.136  0.182  1.0
  O  O11  1  0.569  0.751  0.182  1.0
  O  O12  1  0.819  0.251  0.816  1.0
  O  O13  1  0.817  0.631  0.435  1.0
  O  O14  1  0.415  0.239  0.437  1.0
  O  O15  1  0.567  0.749  0.568  1.0
  O  O16  1  0.177  0.751  0.176  1.0
  O  O17  1  0.176  0.351  0.574  1.0
  O  O18  1  0.414  0.238  0.824  1.0
  O  O19  1  0.414  0.853  0.824  1.0
  O  O20  1  0.176  0.751  0.574  1.0
[/CIF]
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The structure described by LiAg4(RuO3)4 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second Ru site, Ru(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the third Ru site, Ru(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted hexagonal planar geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(8) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the third Ag site, Ag(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ru(2), one Ru(3), one Ag(2), and one Ag(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(2), one Ag(1), and one Ag(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ru(1), one Ru(3), and two equivalent Ag(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ru(2), one Ag(1), and one Ag(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ru(2), one Ag(1), and one Ag(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(3), and two equivalent Ag(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Ru(2), one Ru(3), one Ag(2), and one Ag(3) atom. In the eighth O site, O(8) 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAg4(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   7.287
_cell_length_c   7.291
_cell_angle_alpha   60.020
_cell_angle_beta   90.007
_cell_angle_gamma   120.194
_symmetry_Int_Tables_number   1
_cell_volume   271.433
_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  0.220  0.981  0.759  1.0
  Ag  Ag1  1  0.443  0.462  0.019  1.0
  Ag  Ag2  1  0.032  0.060  0.024  1.0
  Ag  Ag3  1  0.032  0.448  0.024  1.0
  Ag  Ag4  1  0.033  0.060  0.413  1.0
  Ru  Ru5  1  0.504  0.999  0.006  1.0
  Ru  Ru6  1  0.504  1.000  0.495  1.0
  Ru  Ru7  1  0.504  0.510  0.495  1.0
  Ru  Ru8  1  0.001  0.501  0.500  1.0
  O  O9  1  0.817  0.251  0.435  1.0
  O  O10  1  0.569  0.136  0.182  1.0
  O  O11  1  0.569  0.751  0.182  1.0
  O  O12  1  0.819  0.251  0.816  1.0
  O  O13  1  0.817  0.631  0.435  1.0
  O  O14  1  0.415  0.239  0.437  1.0
  O  O15  1  0.567  0.749  0.568  1.0
  O  O16  1  0.177  0.751  0.176  1.0
  O  O17  1  0.176  0.351  0.574  1.0
  O  O18  1  0.414  0.238  0.824  1.0
  O  O19  1  0.414  0.853  0.824  1.0
  O  O20  1  0.176  0.751  0.574  1.0
[/CIF]
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