The material structure described by Ba2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent In(1) atoms. In the second Ba site, Ba(2) is bonded to four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing BaIn4 tetrahedra. In(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Ba(2) atoms. is represented by the CIF card [CIF]
data_Ba2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   8.158
_cell_length_c   11.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.862
_cell_formula_units_Z   4
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  0.750  0.478  0.808  1.0
  Ba  Ba1  1  0.750  0.978  0.692  1.0
  Ba  Ba2  1  0.250  0.522  0.192  1.0
  Ba  Ba3  1  0.250  0.022  0.308  1.0
  Ba  Ba4  1  0.750  0.824  0.075  1.0
  Ba  Ba5  1  0.750  0.324  0.425  1.0
  Ba  Ba6  1  0.250  0.176  0.925  1.0
  Ba  Ba7  1  0.250  0.676  0.575  1.0
  In  In8  1  0.750  0.270  0.105  1.0
  In  In9  1  0.750  0.770  0.395  1.0
  In  In10  1  0.250  0.730  0.895  1.0
  In  In11  1  0.250  0.230  0.605  1.0
[/CIF]
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The material structure described by Ba2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent In(1) atoms. In the second Ba site, Ba(2) is bonded to four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing BaIn4 tetrahedra. In(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Ba(2) atoms. is represented by the CIF card [CIF]
data_Ba2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   8.158
_cell_length_c   11.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.862
_cell_formula_units_Z   4
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  0.750  0.478  0.808  1.0
  Ba  Ba1  1  0.750  0.978  0.692  1.0
  Ba  Ba2  1  0.250  0.522  0.192  1.0
  Ba  Ba3  1  0.250  0.022  0.308  1.0
  Ba  Ba4  1  0.750  0.824  0.075  1.0
  Ba  Ba5  1  0.750  0.324  0.425  1.0
  Ba  Ba6  1  0.250  0.176  0.925  1.0
  Ba  Ba7  1  0.250  0.676  0.575  1.0
  In  In8  1  0.750  0.270  0.105  1.0
  In  In9  1  0.750  0.770  0.395  1.0
  In  In10  1  0.250  0.730  0.895  1.0
  In  In11  1  0.250  0.230  0.605  1.0
[/CIF]
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