The material described by Ba4Mg(RhO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(7), 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 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded to one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Rh(4)O6 octahedra and  a faceface with one Rh(3)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(6) atoms. 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 corner and face-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. 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 RhO6 octahedra that share  a faceface with one Rh(2)O6 octahedra and  a faceface with one Mg(1)O5 trigonal bipyramid. 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 RhO6 octahedra that share corners with three equivalent Rh(2)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-21°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Rh(1), and one Rh(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom. 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 and  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. 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 and corners with two equivalent O(4)Ba3Rh2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. 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 5-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), 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), two equivalent Ba(4), one Mg(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Mg(RhO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   5.717
_cell_length_c   10.207
_cell_angle_alpha   90.000
_cell_angle_beta   97.901
_cell_angle_gamma   118.204
_symmetry_Int_Tables_number   1
_cell_volume   307.177
_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  0.814  0.407  0.713  1.0
  Ba  Ba1  1  0.329  0.665  0.260  1.0
  Ba  Ba2  1  0.059  0.029  0.481  1.0
  Ba  Ba3  1  0.895  0.948  0.052  1.0
  Mg  Mg4  1  0.367  0.183  0.864  1.0
  Rh  Rh5  1  0.350  0.675  0.880  1.0
  Rh  Rh6  1  0.696  0.348  0.389  1.0
  Rh  Rh7  1  0.565  0.283  0.121  1.0
  Rh  Rh8  1  0.415  0.708  0.611  1.0
  O  O9  1  0.262  0.385  0.727  1.0
  O  O10  1  0.777  0.156  0.248  1.0
  O  O11  1  0.353  0.176  0.277  1.0
  O  O12  1  0.663  0.831  0.785  1.0
  O  O13  1  0.262  0.877  0.727  1.0
  O  O14  1  0.777  0.621  0.248  1.0
  O  O15  1  0.620  0.044  0.512  1.0
  O  O16  1  0.327  0.403  0.012  1.0
  O  O17  1  0.327  0.924  0.012  1.0
  O  O18  1  0.620  0.576  0.512  1.0
  O  O19  1  0.089  0.545  0.470  1.0
  O  O20  1  0.745  0.373  0.963  1.0
[/CIF]
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The material described by Ba4Mg(RhO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(7), 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 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. Mg(1) is bonded to one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Rh(4)O6 octahedra and  a faceface with one Rh(3)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(6) atoms. 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 corner and face-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. 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 RhO6 octahedra that share  a faceface with one Rh(2)O6 octahedra and  a faceface with one Mg(1)O5 trigonal bipyramid. 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 RhO6 octahedra that share corners with three equivalent Rh(2)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-21°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Rh(1), and one Rh(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), one Rh(2), and one Rh(3) atom. 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 and  a cornercorner with one O(4)Ba3Rh2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 8°. 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 and corners with two equivalent O(4)Ba3Rh2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. 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 5-coordinate geometry to one Ba(2), one Ba(4), one Mg(1), 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), two equivalent Ba(4), one Mg(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Mg(RhO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.048
_cell_length_b   5.717
_cell_length_c   10.207
_cell_angle_alpha   90.000
_cell_angle_beta   97.901
_cell_angle_gamma   118.204
_symmetry_Int_Tables_number   1
_cell_volume   307.177
_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  0.814  0.407  0.713  1.0
  Ba  Ba1  1  0.329  0.665  0.260  1.0
  Ba  Ba2  1  0.059  0.029  0.481  1.0
  Ba  Ba3  1  0.895  0.948  0.052  1.0
  Mg  Mg4  1  0.367  0.183  0.864  1.0
  Rh  Rh5  1  0.350  0.675  0.880  1.0
  Rh  Rh6  1  0.696  0.348  0.389  1.0
  Rh  Rh7  1  0.565  0.283  0.121  1.0
  Rh  Rh8  1  0.415  0.708  0.611  1.0
  O  O9  1  0.262  0.385  0.727  1.0
  O  O10  1  0.777  0.156  0.248  1.0
  O  O11  1  0.353  0.176  0.277  1.0
  O  O12  1  0.663  0.831  0.785  1.0
  O  O13  1  0.262  0.877  0.727  1.0
  O  O14  1  0.777  0.621  0.248  1.0
  O  O15  1  0.620  0.044  0.512  1.0
  O  O16  1  0.327  0.403  0.012  1.0
  O  O17  1  0.327  0.924  0.012  1.0
  O  O18  1  0.620  0.576  0.512  1.0
  O  O19  1  0.089  0.545  0.470  1.0
  O  O20  1  0.745  0.373  0.963  1.0
[/CIF]
.