The compound described by BaZnIn3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Zn(1), four equivalent In(2), and eight equivalent In(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one In(2), and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), two equivalent Zn(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Zn(1), and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZnIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   6.929
_cell_angle_alpha   139.745
_cell_angle_beta   139.745
_cell_angle_gamma   58.241
_symmetry_Int_Tables_number   1
_cell_volume   137.644
_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  0.004  0.004  0.000  1.0
  Zn  Zn1  1  0.617  0.617  0.000  1.0
  In  In2  1  0.742  0.242  0.500  1.0
  In  In3  1  0.242  0.742  0.500  1.0
  In  In4  1  0.394  0.394  0.000  1.0
[/CIF]
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The compound described by BaZnIn3 crystallizes in the tetragonal I4mm space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Zn(1), four equivalent In(2), and eight equivalent In(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one In(2), and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), two equivalent Zn(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Zn(1), and four equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaZnIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.929
_cell_length_b   6.929
_cell_length_c   6.929
_cell_angle_alpha   139.745
_cell_angle_beta   139.745
_cell_angle_gamma   58.241
_symmetry_Int_Tables_number   1
_cell_volume   137.644
_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  0.004  0.004  0.000  1.0
  Zn  Zn1  1  0.617  0.617  0.000  1.0
  In  In2  1  0.742  0.242  0.500  1.0
  In  In3  1  0.242  0.742  0.500  1.0
  In  In4  1  0.394  0.394  0.000  1.0
[/CIF]
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