The structure described by Ba2MgLuBiO6 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 in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Lu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2LuMgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.780
_cell_length_b   6.264
_cell_length_c   6.951
_cell_angle_alpha   56.422
_cell_angle_beta   54.726
_cell_angle_gamma   57.989
_symmetry_Int_Tables_number   1
_cell_volume   190.923
_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  0.691  0.739  0.701  1.0
  Ba  Ba1  1  0.309  0.261  0.299  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.785  0.226  0.253  1.0
  O  O6  1  0.317  0.743  0.154  1.0
  O  O7  1  0.151  0.341  0.743  1.0
  O  O8  1  0.215  0.774  0.747  1.0
  O  O9  1  0.683  0.257  0.846  1.0
  O  O10  1  0.849  0.659  0.257  1.0
[/CIF]
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The structure described by Ba2MgLuBiO6 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 in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Lu(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Lu(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Lu(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2LuMgBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.780
_cell_length_b   6.264
_cell_length_c   6.951
_cell_angle_alpha   56.422
_cell_angle_beta   54.726
_cell_angle_gamma   57.989
_symmetry_Int_Tables_number   1
_cell_volume   190.923
_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  0.691  0.739  0.701  1.0
  Ba  Ba1  1  0.309  0.261  0.299  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.785  0.226  0.253  1.0
  O  O6  1  0.317  0.743  0.154  1.0
  O  O7  1  0.151  0.341  0.743  1.0
  O  O8  1  0.215  0.774  0.747  1.0
  O  O9  1  0.683  0.257  0.846  1.0
  O  O10  1  0.849  0.659  0.257  1.0
[/CIF]
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