The material structure described by Ba2MgErSbO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Er(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two 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 Er(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Er(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ErMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   6.594
_cell_length_c   6.259
_cell_angle_alpha   61.664
_cell_angle_beta   61.664
_cell_angle_gamma   55.289
_symmetry_Int_Tables_number   1
_cell_volume   188.890
_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  0.807  0.807  0.693  1.0
  Ba  Ba1  1  0.193  0.193  0.307  1.0
  Er  Er2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.265  0.735  0.770  1.0
  O  O6  1  0.265  0.735  0.230  1.0
  O  O7  1  0.735  0.265  0.770  1.0
  O  O8  1  0.242  0.242  0.758  1.0
  O  O9  1  0.735  0.265  0.230  1.0
  O  O10  1  0.758  0.758  0.242  1.0
[/CIF]
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The material structure described by Ba2MgErSbO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Er(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two 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 Er(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Er(1), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ErMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.594
_cell_length_b   6.594
_cell_length_c   6.259
_cell_angle_alpha   61.664
_cell_angle_beta   61.664
_cell_angle_gamma   55.289
_symmetry_Int_Tables_number   1
_cell_volume   188.890
_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  0.807  0.807  0.693  1.0
  Ba  Ba1  1  0.193  0.193  0.307  1.0
  Er  Er2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.265  0.735  0.770  1.0
  O  O6  1  0.265  0.735  0.230  1.0
  O  O7  1  0.735  0.265  0.770  1.0
  O  O8  1  0.242  0.242  0.758  1.0
  O  O9  1  0.735  0.265  0.230  1.0
  O  O10  1  0.758  0.758  0.242  1.0
[/CIF]
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