The crystal structure described by BaLaZnRuO6 crystallizes in the tetragonal I-4 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Zn(1)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-25°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-25°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(1), one Ru(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBa2La2ZnRu octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) 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 Crystallographic Information File (CIF) [CIF]
data_BaLaZnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.740
_cell_length_c   5.740
_cell_angle_alpha   120.950
_cell_angle_beta   120.950
_cell_angle_gamma   88.362
_symmetry_Int_Tables_number   1
_cell_volume   131.766
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.750  0.250  0.500  1.0
  Ru  Ru3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.007  0.507  0.500  1.0
  O  O5  1  0.976  0.961  0.397  1.0
  O  O6  1  0.039  0.436  0.016  1.0
  O  O7  1  0.493  0.993  0.500  1.0
  O  O8  1  0.421  0.024  0.984  1.0
  O  O9  1  0.564  0.579  0.603  1.0
[/CIF]
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The crystal structure described by BaLaZnRuO6 crystallizes in the tetragonal I-4 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Zn(1)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-25°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-25°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(1), one Ru(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBa2La2ZnRu octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) 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 Crystallographic Information File (CIF) [CIF]
data_BaLaZnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.740
_cell_length_c   5.740
_cell_angle_alpha   120.950
_cell_angle_beta   120.950
_cell_angle_gamma   88.362
_symmetry_Int_Tables_number   1
_cell_volume   131.766
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.750  0.250  0.500  1.0
  Ru  Ru3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.007  0.507  0.500  1.0
  O  O5  1  0.976  0.961  0.397  1.0
  O  O6  1  0.039  0.436  0.016  1.0
  O  O7  1  0.493  0.993  0.500  1.0
  O  O8  1  0.421  0.024  0.984  1.0
  O  O9  1  0.564  0.579  0.603  1.0
[/CIF]
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