The material structure described by Ba2MgTmRuO6 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(1) and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. Tm(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted TmO6 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(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Tm(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 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Tm(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Tm(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Tm(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Tm(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Ba2TmMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   6.472
_cell_length_c   6.472
_cell_angle_alpha   54.755
_cell_angle_beta   54.575
_cell_angle_gamma   54.575
_symmetry_Int_Tables_number   1
_cell_volume   169.116
_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  0.807  1.0
  Ba  Ba1  1  0.255  0.261  0.261  1.0
  Tm  Tm2  1  0.468  0.470  0.470  1.0
  Mg  Mg3  1  0.629  0.640  0.640  1.0
  Ru  Ru4  1  0.998  0.997  0.997  1.0
  O  O5  1  0.252  0.745  0.745  1.0
  O  O6  1  0.233  0.746  0.227  1.0
  O  O7  1  0.745  0.257  0.748  1.0
  O  O8  1  0.233  0.227  0.746  1.0
  O  O9  1  0.751  0.230  0.230  1.0
  O  O10  1  0.745  0.748  0.257  1.0
[/CIF]
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The material structure described by Ba2MgTmRuO6 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(1) and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. Tm(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted TmO6 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(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Tm(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 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Tm(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Tm(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Tm(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Tm(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Ba2TmMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   6.472
_cell_length_c   6.472
_cell_angle_alpha   54.755
_cell_angle_beta   54.575
_cell_angle_gamma   54.575
_symmetry_Int_Tables_number   1
_cell_volume   169.116
_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  0.807  1.0
  Ba  Ba1  1  0.255  0.261  0.261  1.0
  Tm  Tm2  1  0.468  0.470  0.470  1.0
  Mg  Mg3  1  0.629  0.640  0.640  1.0
  Ru  Ru4  1  0.998  0.997  0.997  1.0
  O  O5  1  0.252  0.745  0.745  1.0
  O  O6  1  0.233  0.746  0.227  1.0
  O  O7  1  0.745  0.257  0.748  1.0
  O  O8  1  0.233  0.227  0.746  1.0
  O  O9  1  0.751  0.230  0.230  1.0
  O  O10  1  0.745  0.748  0.257  1.0
[/CIF]
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