The material described by SrCa2I6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Sr(1) is bonded to six equivalent I(1) atoms to form SrI6 octahedra that share corners with twelve equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ca(1) is bonded to six equivalent I(1) atoms to form CaI6 octahedra that share corners with six equivalent Sr(1)I6 octahedra and edges with three equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 50°. I(1) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa2I6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   7.961
_cell_length_c   7.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   402.290
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.333  0.667  0.500  1.0
  Ca  Ca2  1  0.667  0.333  0.500  1.0
  I  I3  1  0.000  0.653  0.743  1.0
  I  I4  1  0.000  0.347  0.257  1.0
  I  I5  1  0.347  0.347  0.743  1.0
  I  I6  1  0.653  0.653  0.257  1.0
  I  I7  1  0.347  0.000  0.257  1.0
  I  I8  1  0.653  0.000  0.743  1.0
[/CIF]
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The material described by SrCa2I6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Sr(1) is bonded to six equivalent I(1) atoms to form SrI6 octahedra that share corners with twelve equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ca(1) is bonded to six equivalent I(1) atoms to form CaI6 octahedra that share corners with six equivalent Sr(1)I6 octahedra and edges with three equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 50°. I(1) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa2I6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   7.961
_cell_length_c   7.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   402.290
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.333  0.667  0.500  1.0
  Ca  Ca2  1  0.667  0.333  0.500  1.0
  I  I3  1  0.000  0.653  0.743  1.0
  I  I4  1  0.000  0.347  0.257  1.0
  I  I5  1  0.347  0.347  0.743  1.0
  I  I6  1  0.653  0.653  0.257  1.0
  I  I7  1  0.347  0.000  0.257  1.0
  I  I8  1  0.653  0.000  0.743  1.0
[/CIF]
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