The structure described by Ba2InGaO5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent In(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one In(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ba2InGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.999
_cell_length_b   8.999
_cell_length_c   8.999
_cell_angle_alpha   140.965
_cell_angle_beta   139.630
_cell_angle_gamma   57.409
_symmetry_Int_Tables_number   1
_cell_volume   294.728
_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  0.388  0.900  0.525  1.0
  Ba  Ba1  1  0.612  0.137  0.512  1.0
  Ba  Ba2  1  0.125  0.637  0.525  1.0
  Ba  Ba3  1  0.875  0.400  0.512  1.0
  In  In4  1  0.500  0.516  0.016  1.0
  In  In5  1  0.000  0.016  0.016  1.0
  Ga  Ga6  1  0.185  0.262  0.947  1.0
  Ga  Ga7  1  0.815  0.762  0.077  1.0
  O  O8  1  0.761  0.276  0.016  1.0
  O  O9  1  0.239  0.255  0.516  1.0
  O  O10  1  0.239  0.755  0.016  1.0
  O  O11  1  0.761  0.776  0.516  1.0
  O  O12  1  0.424  0.365  0.081  1.0
  O  O13  1  0.576  0.657  0.941  1.0
  O  O14  1  0.216  0.157  0.081  1.0
  O  O15  1  0.784  0.865  0.941  1.0
  O  O16  1  0.990  0.503  0.993  1.0
  O  O17  1  0.010  0.003  0.513  1.0
[/CIF]
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The structure described by Ba2InGaO5 crystallizes in the orthorhombic Ima2 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent In(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4In2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one In(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Ba2InGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.999
_cell_length_b   8.999
_cell_length_c   8.999
_cell_angle_alpha   140.965
_cell_angle_beta   139.630
_cell_angle_gamma   57.409
_symmetry_Int_Tables_number   1
_cell_volume   294.728
_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  0.388  0.900  0.525  1.0
  Ba  Ba1  1  0.612  0.137  0.512  1.0
  Ba  Ba2  1  0.125  0.637  0.525  1.0
  Ba  Ba3  1  0.875  0.400  0.512  1.0
  In  In4  1  0.500  0.516  0.016  1.0
  In  In5  1  0.000  0.016  0.016  1.0
  Ga  Ga6  1  0.185  0.262  0.947  1.0
  Ga  Ga7  1  0.815  0.762  0.077  1.0
  O  O8  1  0.761  0.276  0.016  1.0
  O  O9  1  0.239  0.255  0.516  1.0
  O  O10  1  0.239  0.755  0.016  1.0
  O  O11  1  0.761  0.776  0.516  1.0
  O  O12  1  0.424  0.365  0.081  1.0
  O  O13  1  0.576  0.657  0.941  1.0
  O  O14  1  0.216  0.157  0.081  1.0
  O  O15  1  0.784  0.865  0.941  1.0
  O  O16  1  0.990  0.503  0.993  1.0
  O  O17  1  0.010  0.003  0.513  1.0
[/CIF]
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