The crystal structure described by SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Imma space group. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form SrI6 octahedra that share corners with eight equivalent Ca(1)I6 octahedra and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. Ca(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form CaI6 octahedra that share corners with eight equivalent Sr(1)I6 octahedra and edges with two equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.021
_cell_length_b   9.021
_cell_length_c   9.021
_cell_angle_alpha   115.200
_cell_angle_beta   106.687
_cell_angle_gamma   106.684
_symmetry_Int_Tables_number   1
_cell_volume   560.931
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.015  0.265  0.750  1.0
  Ca  Ca3  1  0.985  0.735  0.250  1.0
  I  I4  1  0.272  0.727  0.545  1.0
  I  I5  1  0.190  0.705  0.015  1.0
  I  I6  1  0.810  0.825  0.515  1.0
  I  I7  1  0.683  0.727  0.955  1.0
  I  I8  1  0.317  0.273  0.045  1.0
  I  I9  1  0.810  0.295  0.985  1.0
  I  I10  1  0.190  0.175  0.485  1.0
  I  I11  1  0.728  0.273  0.455  1.0
[/CIF]
.
The crystal structure described by SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Imma space group. Sr(1) is bonded to two equivalent I(2) and four equivalent I(1) atoms to form SrI6 octahedra that share corners with eight equivalent Ca(1)I6 octahedra and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. Ca(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form CaI6 octahedra that share corners with eight equivalent Sr(1)I6 octahedra and edges with two equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.021
_cell_length_b   9.021
_cell_length_c   9.021
_cell_angle_alpha   115.200
_cell_angle_beta   106.687
_cell_angle_gamma   106.684
_symmetry_Int_Tables_number   1
_cell_volume   560.931
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.015  0.265  0.750  1.0
  Ca  Ca3  1  0.985  0.735  0.250  1.0
  I  I4  1  0.272  0.727  0.545  1.0
  I  I5  1  0.190  0.705  0.015  1.0
  I  I6  1  0.810  0.825  0.515  1.0
  I  I7  1  0.683  0.727  0.955  1.0
  I  I8  1  0.317  0.273  0.045  1.0
  I  I9  1  0.810  0.295  0.985  1.0
  I  I10  1  0.190  0.175  0.485  1.0
  I  I11  1  0.728  0.273  0.455  1.0
[/CIF]
.