The material described by Ba2MgYbBiO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Yb(1)O6 octahedra and faces with two equivalent Bi(1)O6 octahedra. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Yb(1)O6 octahedra, edges with two equivalent Yb(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OBa2YbMgBi trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OBa2YbMgBi trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2YbMgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   7.403
_cell_length_c   5.789
_cell_angle_alpha   130.004
_cell_angle_beta   141.743
_cell_angle_gamma   46.828
_symmetry_Int_Tables_number   1
_cell_volume   188.760
_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  0.393  0.804  0.897  1.0
  Ba  Ba1  1  0.607  0.196  0.103  1.0
  Yb  Yb2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Bi  Bi4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.763  0.792  0.644  1.0
  O  O6  1  0.248  0.605  0.126  1.0
  O  O7  1  0.971  0.796  0.467  1.0
  O  O8  1  0.237  0.208  0.356  1.0
  O  O9  1  0.752  0.395  0.874  1.0
  O  O10  1  0.029  0.204  0.533  1.0
[/CIF]
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The material described by Ba2MgYbBiO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Yb(1)O6 octahedra and faces with two equivalent Bi(1)O6 octahedra. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Yb(1)O6 octahedra, edges with two equivalent Yb(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OBa2YbMgBi trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), one Mg(1), one Yb(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OBa2YbMgBi trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba2YbMgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   7.403
_cell_length_c   5.789
_cell_angle_alpha   130.004
_cell_angle_beta   141.743
_cell_angle_gamma   46.828
_symmetry_Int_Tables_number   1
_cell_volume   188.760
_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  0.393  0.804  0.897  1.0
  Ba  Ba1  1  0.607  0.196  0.103  1.0
  Yb  Yb2  1  0.000  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Bi  Bi4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.763  0.792  0.644  1.0
  O  O6  1  0.248  0.605  0.126  1.0
  O  O7  1  0.971  0.796  0.467  1.0
  O  O8  1  0.237  0.208  0.356  1.0
  O  O9  1  0.752  0.395  0.874  1.0
  O  O10  1  0.029  0.204  0.533  1.0
[/CIF]
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