The material structure described by SrCaI4 is Rutile-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded to one I(2), one I(3), two equivalent I(1), and two equivalent I(4) atoms to form SrI6 octahedra that share corners with four equivalent Sr(1)I6 octahedra, corners with six equivalent Ca(1)I6 octahedra, and  an edgeedge with one Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Ca(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form CaI6 octahedra that share corners with six equivalent Sr(1)I6 octahedra,  an edgeedge with one Sr(1)I6 octahedra, and edges with two equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four 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. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.901
_cell_length_b   7.408
_cell_length_c   19.983
_cell_angle_alpha   68.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1091.930
_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
  Sr  Sr0  1  0.751  0.172  0.321  1.0
  Sr  Sr1  1  0.251  0.828  0.179  1.0
  Sr  Sr2  1  0.749  0.172  0.821  1.0
  Sr  Sr3  1  0.249  0.828  0.679  1.0
  Ca  Ca4  1  0.746  0.427  0.065  1.0
  Ca  Ca5  1  0.754  0.427  0.565  1.0
  Ca  Ca6  1  0.246  0.573  0.435  1.0
  Ca  Ca7  1  0.254  0.573  0.935  1.0
  I  I8  1  0.425  0.470  0.811  1.0
  I  I9  1  0.925  0.330  0.940  1.0
  I  I10  1  0.425  0.670  0.560  1.0
  I  I11  1  0.420  0.201  0.049  1.0
  I  I12  1  0.925  0.530  0.689  1.0
  I  I13  1  0.388  0.943  0.315  1.0
  I  I14  1  0.888  0.057  0.185  1.0
  I  I15  1  0.920  0.799  0.451  1.0
  I  I16  1  0.080  0.201  0.549  1.0
  I  I17  1  0.112  0.943  0.815  1.0
  I  I18  1  0.612  0.057  0.685  1.0
  I  I19  1  0.075  0.470  0.311  1.0
  I  I20  1  0.580  0.799  0.951  1.0
  I  I21  1  0.575  0.330  0.440  1.0
  I  I22  1  0.075  0.670  0.060  1.0
  I  I23  1  0.575  0.530  0.189  1.0
[/CIF]
.
The material structure described by SrCaI4 is Rutile-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded to one I(2), one I(3), two equivalent I(1), and two equivalent I(4) atoms to form SrI6 octahedra that share corners with four equivalent Sr(1)I6 octahedra, corners with six equivalent Ca(1)I6 octahedra, and  an edgeedge with one Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. Ca(1) is bonded to one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms to form CaI6 octahedra that share corners with six equivalent Sr(1)I6 octahedra,  an edgeedge with one Sr(1)I6 octahedra, and edges with two equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four 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. In the third I site, I(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the fourth I site, I(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.901
_cell_length_b   7.408
_cell_length_c   19.983
_cell_angle_alpha   68.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1091.930
_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
  Sr  Sr0  1  0.751  0.172  0.321  1.0
  Sr  Sr1  1  0.251  0.828  0.179  1.0
  Sr  Sr2  1  0.749  0.172  0.821  1.0
  Sr  Sr3  1  0.249  0.828  0.679  1.0
  Ca  Ca4  1  0.746  0.427  0.065  1.0
  Ca  Ca5  1  0.754  0.427  0.565  1.0
  Ca  Ca6  1  0.246  0.573  0.435  1.0
  Ca  Ca7  1  0.254  0.573  0.935  1.0
  I  I8  1  0.425  0.470  0.811  1.0
  I  I9  1  0.925  0.330  0.940  1.0
  I  I10  1  0.425  0.670  0.560  1.0
  I  I11  1  0.420  0.201  0.049  1.0
  I  I12  1  0.925  0.530  0.689  1.0
  I  I13  1  0.388  0.943  0.315  1.0
  I  I14  1  0.888  0.057  0.185  1.0
  I  I15  1  0.920  0.799  0.451  1.0
  I  I16  1  0.080  0.201  0.549  1.0
  I  I17  1  0.112  0.943  0.815  1.0
  I  I18  1  0.612  0.057  0.685  1.0
  I  I19  1  0.075  0.470  0.311  1.0
  I  I20  1  0.580  0.799  0.951  1.0
  I  I21  1  0.575  0.330  0.440  1.0
  I  I22  1  0.075  0.670  0.060  1.0
  I  I23  1  0.575  0.530  0.189  1.0
[/CIF]
.