The structure described by BaLaZnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 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(1), one O(2), one O(3), one O(5), and one O(6) atom. 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-29°. Zn(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 ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ru(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(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 Ru(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_BaLaZnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.717
_cell_length_c   5.721
_cell_angle_alpha   90.431
_cell_angle_beta   119.351
_cell_angle_gamma   119.750
_symmetry_Int_Tables_number   1
_cell_volume   132.992
_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  0.499  0.750  0.250  1.0
  La  La1  1  0.483  0.250  0.735  1.0
  Zn  Zn2  1  0.993  0.001  0.999  1.0
  Ru  Ru3  1  1.000  0.500  0.501  1.0
  O  O4  1  0.051  0.806  0.322  1.0
  O  O5  1  0.486  0.679  0.721  1.0
  O  O6  1  0.910  0.261  0.168  1.0
  O  O7  1  0.048  0.741  0.788  1.0
  O  O8  1  0.518  0.287  0.306  1.0
  O  O9  1  0.013  0.224  0.710  1.0
[/CIF]
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The structure described by BaLaZnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 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(1), one O(2), one O(3), one O(5), and one O(6) atom. 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-29°. Zn(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 ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Ru(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one La(1), one Ru(1), and one Zn(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 Ru(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_BaLaZnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.717
_cell_length_c   5.721
_cell_angle_alpha   90.431
_cell_angle_beta   119.351
_cell_angle_gamma   119.750
_symmetry_Int_Tables_number   1
_cell_volume   132.992
_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  0.499  0.750  0.250  1.0
  La  La1  1  0.483  0.250  0.735  1.0
  Zn  Zn2  1  0.993  0.001  0.999  1.0
  Ru  Ru3  1  1.000  0.500  0.501  1.0
  O  O4  1  0.051  0.806  0.322  1.0
  O  O5  1  0.486  0.679  0.721  1.0
  O  O6  1  0.910  0.261  0.168  1.0
  O  O7  1  0.048  0.741  0.788  1.0
  O  O8  1  0.518  0.287  0.306  1.0
  O  O9  1  0.013  0.224  0.710  1.0
[/CIF]
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