The material structure described by Zr2In3 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded in a 11-coordinate geometry to three equivalent Zr(1), three equivalent In(2), and five equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to five equivalent Zr(1), two equivalent In(2), and three equivalent In(1) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Zr2In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   6.868
_cell_length_c   11.448
_cell_angle_alpha   107.455
_cell_angle_beta   107.455
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.985
_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
  Zr  Zr0  1  0.288  0.520  0.577  1.0
  Zr  Zr1  1  0.288  0.057  0.577  1.0
  Zr  Zr2  1  0.307  0.038  0.077  1.0
  Zr  Zr3  1  0.962  0.693  0.923  1.0
  Zr  Zr4  1  0.962  0.230  0.923  1.0
  Zr  Zr5  1  0.770  0.038  0.077  1.0
  Zr  Zr6  1  0.943  0.712  0.423  1.0
  Zr  Zr7  1  0.480  0.712  0.423  1.0
  In  In8  1  0.804  0.086  0.608  1.0
  In  In9  1  0.804  0.522  0.608  1.0
  In  In10  1  0.772  0.554  0.108  1.0
  In  In11  1  0.446  0.228  0.892  1.0
  In  In12  1  0.446  0.664  0.892  1.0
  In  In13  1  0.336  0.554  0.108  1.0
  In  In14  1  0.478  0.196  0.392  1.0
  In  In15  1  0.914  0.196  0.392  1.0
  In  In16  1  0.125  0.375  0.250  1.0
  In  In17  1  0.125  0.875  0.250  1.0
  In  In18  1  0.125  0.875  0.750  1.0
  In  In19  1  0.625  0.875  0.750  1.0
[/CIF]
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The material structure described by Zr2In3 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded in a 11-coordinate geometry to three equivalent Zr(1), three equivalent In(2), and five equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to five equivalent Zr(1), two equivalent In(2), and three equivalent In(1) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent In(1) atoms. is represented by the CIF file [CIF]
data_Zr2In3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.868
_cell_length_b   6.868
_cell_length_c   11.448
_cell_angle_alpha   107.455
_cell_angle_beta   107.455
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.985
_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
  Zr  Zr0  1  0.288  0.520  0.577  1.0
  Zr  Zr1  1  0.288  0.057  0.577  1.0
  Zr  Zr2  1  0.307  0.038  0.077  1.0
  Zr  Zr3  1  0.962  0.693  0.923  1.0
  Zr  Zr4  1  0.962  0.230  0.923  1.0
  Zr  Zr5  1  0.770  0.038  0.077  1.0
  Zr  Zr6  1  0.943  0.712  0.423  1.0
  Zr  Zr7  1  0.480  0.712  0.423  1.0
  In  In8  1  0.804  0.086  0.608  1.0
  In  In9  1  0.804  0.522  0.608  1.0
  In  In10  1  0.772  0.554  0.108  1.0
  In  In11  1  0.446  0.228  0.892  1.0
  In  In12  1  0.446  0.664  0.892  1.0
  In  In13  1  0.336  0.554  0.108  1.0
  In  In14  1  0.478  0.196  0.392  1.0
  In  In15  1  0.914  0.196  0.392  1.0
  In  In16  1  0.125  0.375  0.250  1.0
  In  In17  1  0.125  0.875  0.250  1.0
  In  In18  1  0.125  0.875  0.750  1.0
  In  In19  1  0.625  0.875  0.750  1.0
[/CIF]
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