The material structure described by BaLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_BaLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.735
_cell_length_c   5.780
_cell_angle_alpha   90.434
_cell_angle_beta   119.724
_cell_angle_gamma   119.514
_symmetry_Int_Tables_number   1
_cell_volume   135.478
_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  0.250  0.501  0.251  1.0
  La  La1  1  0.232  0.001  0.733  1.0
  Mn  Mn2  1  0.745  0.753  0.998  1.0
  O  O3  1  0.797  0.490  0.787  1.0
  O  O4  1  0.234  0.435  0.715  1.0
  O  O5  1  0.268  0.028  0.318  1.0
  O  O6  1  0.790  0.550  0.318  1.0
  O  O7  1  0.780  0.980  0.715  1.0
  O  O8  1  0.653  0.011  0.164  1.0
  Ru  Ru9  1  0.751  0.251  0.502  1.0
[/CIF]
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The material structure described by BaLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. Ru(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_BaLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.735
_cell_length_c   5.780
_cell_angle_alpha   90.434
_cell_angle_beta   119.724
_cell_angle_gamma   119.514
_symmetry_Int_Tables_number   1
_cell_volume   135.478
_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  0.250  0.501  0.251  1.0
  La  La1  1  0.232  0.001  0.733  1.0
  Mn  Mn2  1  0.745  0.753  0.998  1.0
  O  O3  1  0.797  0.490  0.787  1.0
  O  O4  1  0.234  0.435  0.715  1.0
  O  O5  1  0.268  0.028  0.318  1.0
  O  O6  1  0.790  0.550  0.318  1.0
  O  O7  1  0.780  0.980  0.715  1.0
  O  O8  1  0.653  0.011  0.164  1.0
  Ru  Ru9  1  0.751  0.251  0.502  1.0
[/CIF]
.