The compound described by Ba2MgNbInO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Nb(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. In(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. 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 Nb(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_Ba2MgNbInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   6.886
_cell_length_c   6.331
_cell_angle_alpha   62.633
_cell_angle_beta   62.633
_cell_angle_gamma   51.593
_symmetry_Int_Tables_number   1
_cell_volume   202.283
_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  0.817  0.817  0.683  1.0
  Ba  Ba1  1  0.183  0.183  0.317  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.247  0.753  0.781  1.0
  O  O6  1  0.247  0.753  0.219  1.0
  O  O7  1  0.753  0.247  0.781  1.0
  O  O8  1  0.189  0.189  0.811  1.0
  O  O9  1  0.753  0.247  0.219  1.0
  O  O10  1  0.811  0.811  0.189  1.0
[/CIF]
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The compound described by Ba2MgNbInO6 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Nb(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. In(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. 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 Nb(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_Ba2MgNbInO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.886
_cell_length_b   6.886
_cell_length_c   6.331
_cell_angle_alpha   62.633
_cell_angle_beta   62.633
_cell_angle_gamma   51.593
_symmetry_Int_Tables_number   1
_cell_volume   202.283
_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  0.817  0.817  0.683  1.0
  Ba  Ba1  1  0.183  0.183  0.317  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.247  0.753  0.781  1.0
  O  O6  1  0.247  0.753  0.219  1.0
  O  O7  1  0.753  0.247  0.781  1.0
  O  O8  1  0.189  0.189  0.811  1.0
  O  O9  1  0.753  0.247  0.219  1.0
  O  O10  1  0.811  0.811  0.189  1.0
[/CIF]
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