The material structure described by ZrIn2 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent In(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and four equivalent In(2) atoms. In the second In site, In(2) is bonded to six equivalent Zr(1), two equivalent In(2), and four equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing InZr6In6 cuboctahedra. is represented by the CIF card [CIF]
data_ZrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   4.411
_cell_length_c   14.035
_cell_angle_alpha   99.042
_cell_angle_beta   99.042
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.266
_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  0.702  0.952  0.904  1.0
  Zr  Zr1  1  0.452  0.202  0.404  1.0
  Zr  Zr2  1  0.298  0.048  0.096  1.0
  Zr  Zr3  1  0.548  0.798  0.596  1.0
  In  In4  1  0.876  0.126  0.251  1.0
  In  In5  1  0.626  0.376  0.751  1.0
  In  In6  1  0.124  0.874  0.749  1.0
  In  In7  1  0.374  0.624  0.249  1.0
  In  In8  1  0.037  0.287  0.574  1.0
  In  In9  1  0.787  0.537  0.074  1.0
  In  In10  1  0.963  0.713  0.426  1.0
  In  In11  1  0.213  0.463  0.926  1.0
[/CIF]
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The material structure described by ZrIn2 crystallizes in the tetragonal I4_1/amd space group. Zr(1) is bonded in a 10-coordinate geometry to four equivalent In(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and four equivalent In(2) atoms. In the second In site, In(2) is bonded to six equivalent Zr(1), two equivalent In(2), and four equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing InZr6In6 cuboctahedra. is represented by the CIF card [CIF]
data_ZrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   4.411
_cell_length_c   14.035
_cell_angle_alpha   99.042
_cell_angle_beta   99.042
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.266
_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  0.702  0.952  0.904  1.0
  Zr  Zr1  1  0.452  0.202  0.404  1.0
  Zr  Zr2  1  0.298  0.048  0.096  1.0
  Zr  Zr3  1  0.548  0.798  0.596  1.0
  In  In4  1  0.876  0.126  0.251  1.0
  In  In5  1  0.626  0.376  0.751  1.0
  In  In6  1  0.124  0.874  0.749  1.0
  In  In7  1  0.374  0.624  0.249  1.0
  In  In8  1  0.037  0.287  0.574  1.0
  In  In9  1  0.787  0.537  0.074  1.0
  In  In10  1  0.963  0.713  0.426  1.0
  In  In11  1  0.213  0.463  0.926  1.0
[/CIF]
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