The structure described by BaYZn3GaO7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Ga(1)O4 tetrahedra, edges with nine equivalent Zn(1)O4 tetrahedra, and faces with four equivalent Y(1)O6 octahedra. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Ga(1)O4 tetrahedra, corners with nine equivalent Zn(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 54-60°. Ga(1) is bonded to one O(2) and three equivalent O(3) atoms to form GaO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to three equivalent Zn(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Zn(1), and one Ga(1) atom. is represented by the CIF file [CIF]
data_BaYZn3GaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.435
_cell_length_c   10.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   372.665
_cell_formula_units_Z   2
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  0.667  0.333  0.991  1.0
  Ba  Ba1  1  0.333  0.667  0.491  1.0
  Y  Y2  1  0.667  0.333  0.634  1.0
  Y  Y3  1  0.333  0.667  0.134  1.0
  Zn  Zn4  1  0.171  0.829  0.817  1.0
  Zn  Zn5  1  0.659  0.829  0.817  1.0
  Zn  Zn6  1  0.171  0.341  0.817  1.0
  Zn  Zn7  1  0.829  0.171  0.317  1.0
  Zn  Zn8  1  0.341  0.171  0.317  1.0
  Zn  Zn9  1  0.829  0.659  0.317  1.0
  Ga  Ga10  1  0.000  0.000  0.067  1.0
  Ga  Ga11  1  0.000  0.000  0.567  1.0
  O  O12  1  0.505  0.495  0.763  1.0
  O  O13  1  0.989  0.495  0.763  1.0
  O  O14  1  0.505  0.011  0.763  1.0
  O  O15  1  0.495  0.505  0.263  1.0
  O  O16  1  0.011  0.505  0.263  1.0
  O  O17  1  0.495  0.989  0.263  1.0
  O  O18  1  0.000  0.000  0.249  1.0
  O  O19  1  0.000  0.000  0.749  1.0
  O  O20  1  0.159  0.841  0.010  1.0
  O  O21  1  0.682  0.841  0.010  1.0
  O  O22  1  0.159  0.318  0.010  1.0
  O  O23  1  0.841  0.159  0.510  1.0
  O  O24  1  0.318  0.159  0.510  1.0
  O  O25  1  0.841  0.682  0.510  1.0
[/CIF]
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The structure described by BaYZn3GaO7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Ga(1)O4 tetrahedra, edges with nine equivalent Zn(1)O4 tetrahedra, and faces with four equivalent Y(1)O6 octahedra. Y(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YO6 octahedra that share corners with three equivalent Ga(1)O4 tetrahedra, corners with nine equivalent Zn(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 54-60°. Ga(1) is bonded to one O(2) and three equivalent O(3) atoms to form GaO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra, corners with six equivalent Zn(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to three equivalent Zn(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Y(1), one Zn(1), and one Ga(1) atom. is represented by the CIF file [CIF]
data_BaYZn3GaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.435
_cell_length_c   10.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   372.665
_cell_formula_units_Z   2
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  0.667  0.333  0.991  1.0
  Ba  Ba1  1  0.333  0.667  0.491  1.0
  Y  Y2  1  0.667  0.333  0.634  1.0
  Y  Y3  1  0.333  0.667  0.134  1.0
  Zn  Zn4  1  0.171  0.829  0.817  1.0
  Zn  Zn5  1  0.659  0.829  0.817  1.0
  Zn  Zn6  1  0.171  0.341  0.817  1.0
  Zn  Zn7  1  0.829  0.171  0.317  1.0
  Zn  Zn8  1  0.341  0.171  0.317  1.0
  Zn  Zn9  1  0.829  0.659  0.317  1.0
  Ga  Ga10  1  0.000  0.000  0.067  1.0
  Ga  Ga11  1  0.000  0.000  0.567  1.0
  O  O12  1  0.505  0.495  0.763  1.0
  O  O13  1  0.989  0.495  0.763  1.0
  O  O14  1  0.505  0.011  0.763  1.0
  O  O15  1  0.495  0.505  0.263  1.0
  O  O16  1  0.011  0.505  0.263  1.0
  O  O17  1  0.495  0.989  0.263  1.0
  O  O18  1  0.000  0.000  0.249  1.0
  O  O19  1  0.000  0.000  0.749  1.0
  O  O20  1  0.159  0.841  0.010  1.0
  O  O21  1  0.682  0.841  0.010  1.0
  O  O22  1  0.159  0.318  0.010  1.0
  O  O23  1  0.841  0.159  0.510  1.0
  O  O24  1  0.318  0.159  0.510  1.0
  O  O25  1  0.841  0.682  0.510  1.0
[/CIF]
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