The structure described by BaLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms 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), two equivalent O(3), and two equivalent O(4) atoms 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 four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) 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 third O site, O(3) 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 fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   5.732
_cell_length_c   5.777
_cell_angle_alpha   60.390
_cell_angle_beta   89.458
_cell_angle_gamma   119.505
_symmetry_Int_Tables_number   1
_cell_volume   135.359
_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  0.251  1.000  0.749  1.0
  La  La1  1  0.751  0.981  0.268  1.0
  Mn  Mn2  1  0.503  0.496  0.001  1.0
  Ru  Ru3  1  0.001  0.500  0.499  1.0
  O  O4  1  0.240  0.548  0.212  1.0
  O  O5  1  0.761  0.403  0.836  1.0
  O  O6  1  0.731  0.530  0.287  1.0
  O  O7  1  0.184  0.983  0.287  1.0
  O  O8  1  0.300  0.540  0.681  1.0
  O  O9  1  0.780  0.020  0.681  1.0
[/CIF]
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The structure described by BaLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms 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), two equivalent O(3), and two equivalent O(4) atoms 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 four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) 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 third O site, O(3) 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 fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Mn(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   5.732
_cell_length_c   5.777
_cell_angle_alpha   60.390
_cell_angle_beta   89.458
_cell_angle_gamma   119.505
_symmetry_Int_Tables_number   1
_cell_volume   135.359
_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  0.251  1.000  0.749  1.0
  La  La1  1  0.751  0.981  0.268  1.0
  Mn  Mn2  1  0.503  0.496  0.001  1.0
  Ru  Ru3  1  0.001  0.500  0.499  1.0
  O  O4  1  0.240  0.548  0.212  1.0
  O  O5  1  0.761  0.403  0.836  1.0
  O  O6  1  0.731  0.530  0.287  1.0
  O  O7  1  0.184  0.983  0.287  1.0
  O  O8  1  0.300  0.540  0.681  1.0
  O  O9  1  0.780  0.020  0.681  1.0
[/CIF]
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