The structure described by Ba2MgErRuO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. Er(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ErO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. Ru(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Er(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Er(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(2), one Er(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Er(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Ba2ErMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.958
_cell_length_c   6.496
_cell_angle_alpha   62.700
_cell_angle_beta   63.273
_cell_angle_gamma   60.037
_symmetry_Int_Tables_number   1
_cell_volume   170.272
_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  0.806  0.807  0.580  1.0
  Ba  Ba1  1  0.256  0.262  0.220  1.0
  Er  Er2  1  0.467  0.469  0.594  1.0
  Mg  Mg3  1  0.629  0.639  0.093  1.0
  Ru  Ru4  1  0.997  0.997  0.009  1.0
  O  O5  1  0.232  0.746  0.796  1.0
  O  O6  1  0.252  0.745  0.258  1.0
  O  O7  1  0.751  0.229  0.791  1.0
  O  O8  1  0.232  0.226  0.796  1.0
  O  O9  1  0.745  0.256  0.250  1.0
  O  O10  1  0.745  0.749  0.250  1.0
[/CIF]
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The structure described by Ba2MgErRuO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. Er(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ErO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. Ru(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Er(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Er(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(2), one Er(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Er(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Ba2ErMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.965
_cell_length_b   5.958
_cell_length_c   6.496
_cell_angle_alpha   62.700
_cell_angle_beta   63.273
_cell_angle_gamma   60.037
_symmetry_Int_Tables_number   1
_cell_volume   170.272
_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  0.806  0.807  0.580  1.0
  Ba  Ba1  1  0.256  0.262  0.220  1.0
  Er  Er2  1  0.467  0.469  0.594  1.0
  Mg  Mg3  1  0.629  0.639  0.093  1.0
  Ru  Ru4  1  0.997  0.997  0.009  1.0
  O  O5  1  0.232  0.746  0.796  1.0
  O  O6  1  0.252  0.745  0.258  1.0
  O  O7  1  0.751  0.229  0.791  1.0
  O  O8  1  0.232  0.226  0.796  1.0
  O  O9  1  0.745  0.256  0.250  1.0
  O  O10  1  0.745  0.749  0.250  1.0
[/CIF]
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