The compound described by LiBa4(RhO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(4), two equivalent O(1), and two equivalent O(6) atoms. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one Li(1), one O(7), one O(8), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(7), one O(8), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(7), and four equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(2), two equivalent O(8), and four equivalent O(6) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form a mixture of distorted face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the second Rh site, Rh(2) is bonded to one O(3), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the third Rh site, Rh(3) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the fourth Rh site, Rh(4) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), one Rh(1), and one Rh(4) atom. In the second O site, O(2) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom to form distorted OBa4Rh2 octahedra that share corners with two equivalent O(3)Ba4Rh2 octahedra, corners with four equivalent O(2)Ba4Rh2 octahedra,  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid, faces with two equivalent O(2)Ba4Rh2 octahedra, and faces with two equivalent O(3)Ba4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the third O site, O(3) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom to form distorted OBa4Rh2 octahedra that share corners with two equivalent O(3)Ba4Rh2 octahedra, corners with four equivalent O(2)Ba4Rh2 octahedra,  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid, and faces with four equivalent O(2)Ba4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 9-62°. In the fourth O site, O(4) is bonded to one Ba(4), two equivalent Ba(1), one Rh(1), and one Rh(4) atom to form distorted OBa3Rh2 trigonal bipyramids that share  a cornercorner with one O(3)Ba4Rh2 octahedra, corners with two equivalent O(2)Ba4Rh2 octahedra, and corners with two equivalent O(4)Ba3Rh2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Rh(2), and one Rh(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(4), one Rh(1), and one Rh(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Rh(2), and one Rh(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Rh(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Li(RhO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.743
_cell_length_c   9.989
_cell_angle_alpha   90.000
_cell_angle_beta   93.764
_cell_angle_gamma   119.026
_symmetry_Int_Tables_number   1
_cell_volume   296.082
_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
  Ba  Ba0  1  0.751  0.375  0.724  1.0
  Ba  Ba1  1  0.324  0.662  0.252  1.0
  Ba  Ba2  1  0.046  0.023  0.485  1.0
  Ba  Ba3  1  0.919  0.960  0.045  1.0
  Li  Li4  1  0.283  0.142  0.851  1.0
  Rh  Rh5  1  0.315  0.657  0.888  1.0
  Rh  Rh6  1  0.691  0.345  0.387  1.0
  Rh  Rh7  1  0.627  0.314  0.112  1.0
  Rh  Rh8  1  0.383  0.691  0.614  1.0
  O  O9  1  0.213  0.371  0.733  1.0
  O  O10  1  0.806  0.175  0.247  1.0
  O  O11  1  0.366  0.183  0.264  1.0
  O  O12  1  0.637  0.819  0.785  1.0
  O  O13  1  0.213  0.842  0.733  1.0
  O  O14  1  0.806  0.632  0.247  1.0
  O  O15  1  0.590  0.036  0.512  1.0
  O  O16  1  0.382  0.422  0.012  1.0
  O  O17  1  0.382  0.960  0.012  1.0
  O  O18  1  0.590  0.555  0.512  1.0
  O  O19  1  0.076  0.538  0.472  1.0
  O  O20  1  0.913  0.457  0.977  1.0
[/CIF]
.
The compound described by LiBa4(RhO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ba(4), two equivalent O(1), and two equivalent O(6) atoms. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one Li(1), one O(7), one O(8), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one O(7), one O(8), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(7), and four equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 11-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(2), two equivalent O(8), and four equivalent O(6) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form a mixture of distorted face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the second Rh site, Rh(2) is bonded to one O(3), one O(7), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the third Rh site, Rh(3) is bonded to one O(3), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the fourth Rh site, Rh(4) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of face and corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), one Rh(1), and one Rh(4) atom. In the second O site, O(2) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom to form distorted OBa4Rh2 octahedra that share corners with two equivalent O(3)Ba4Rh2 octahedra, corners with four equivalent O(2)Ba4Rh2 octahedra,  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid, faces with two equivalent O(2)Ba4Rh2 octahedra, and faces with two equivalent O(3)Ba4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the third O site, O(3) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom to form distorted OBa4Rh2 octahedra that share corners with two equivalent O(3)Ba4Rh2 octahedra, corners with four equivalent O(2)Ba4Rh2 octahedra,  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid, and faces with four equivalent O(2)Ba4Rh2 octahedra. The corner-sharing octahedral tilt angles range from 9-62°. In the fourth O site, O(4) is bonded to one Ba(4), two equivalent Ba(1), one Rh(1), and one Rh(4) atom to form distorted OBa3Rh2 trigonal bipyramids that share  a cornercorner with one O(3)Ba4Rh2 octahedra, corners with two equivalent O(2)Ba4Rh2 octahedra, and corners with two equivalent O(4)Ba3Rh2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 19-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Rh(2), and one Rh(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(4), one Rh(1), and one Rh(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Rh(2), and one Rh(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Rh(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Li(RhO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.743
_cell_length_c   9.989
_cell_angle_alpha   90.000
_cell_angle_beta   93.764
_cell_angle_gamma   119.026
_symmetry_Int_Tables_number   1
_cell_volume   296.082
_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
  Ba  Ba0  1  0.751  0.375  0.724  1.0
  Ba  Ba1  1  0.324  0.662  0.252  1.0
  Ba  Ba2  1  0.046  0.023  0.485  1.0
  Ba  Ba3  1  0.919  0.960  0.045  1.0
  Li  Li4  1  0.283  0.142  0.851  1.0
  Rh  Rh5  1  0.315  0.657  0.888  1.0
  Rh  Rh6  1  0.691  0.345  0.387  1.0
  Rh  Rh7  1  0.627  0.314  0.112  1.0
  Rh  Rh8  1  0.383  0.691  0.614  1.0
  O  O9  1  0.213  0.371  0.733  1.0
  O  O10  1  0.806  0.175  0.247  1.0
  O  O11  1  0.366  0.183  0.264  1.0
  O  O12  1  0.637  0.819  0.785  1.0
  O  O13  1  0.213  0.842  0.733  1.0
  O  O14  1  0.806  0.632  0.247  1.0
  O  O15  1  0.590  0.036  0.512  1.0
  O  O16  1  0.382  0.422  0.012  1.0
  O  O17  1  0.382  0.960  0.012  1.0
  O  O18  1  0.590  0.555  0.512  1.0
  O  O19  1  0.076  0.538  0.472  1.0
  O  O20  1  0.913  0.457  0.977  1.0
[/CIF]
.