The material described by CaIn2 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a distorted hexagonal planar geometry to six equivalent In(1) atoms. In(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent In(1) atoms. is represented by the CIF card [CIF]
data_CaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.467
_cell_length_c   7.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   202.696
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.667  0.333  0.554  1.0
  In  In3  1  0.333  0.667  0.446  1.0
  In  In4  1  0.333  0.667  0.054  1.0
  In  In5  1  0.667  0.333  0.946  1.0
[/CIF]
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The material described by CaIn2 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a distorted hexagonal planar geometry to six equivalent In(1) atoms. In(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent In(1) atoms. is represented by the CIF card [CIF]
data_CaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.467
_cell_length_c   7.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   202.696
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.667  0.333  0.554  1.0
  In  In3  1  0.333  0.667  0.446  1.0
  In  In4  1  0.333  0.667  0.054  1.0
  In  In5  1  0.667  0.333  0.946  1.0
[/CIF]
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