The material described by SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(4), and three equivalent I(2) atoms. Ca(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing CaI6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ca(1) atom. 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 file [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.902
_cell_length_b   9.832
_cell_length_c   11.362
_cell_angle_alpha   56.419
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1014.604
_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  0.784  0.008  0.846  1.0
  Sr  Sr1  1  0.284  0.992  0.654  1.0
  Sr  Sr2  1  0.716  0.008  0.346  1.0
  Sr  Sr3  1  0.216  0.992  0.154  1.0
  Ca  Ca4  1  0.454  0.500  0.787  1.0
  Ca  Ca5  1  0.954  0.500  0.713  1.0
  Ca  Ca6  1  0.046  0.500  0.287  1.0
  Ca  Ca7  1  0.546  0.500  0.213  1.0
  I  I8  1  0.492  0.251  0.114  1.0
  I  I9  1  0.940  0.181  0.013  1.0
  I  I10  1  0.186  0.599  0.805  1.0
  I  I11  1  0.335  0.179  0.830  1.0
  I  I12  1  0.835  0.821  0.670  1.0
  I  I13  1  0.686  0.401  0.695  1.0
  I  I14  1  0.440  0.819  0.487  1.0
  I  I15  1  0.992  0.749  0.386  1.0
  I  I16  1  0.008  0.251  0.614  1.0
  I  I17  1  0.560  0.181  0.513  1.0
  I  I18  1  0.314  0.599  0.305  1.0
  I  I19  1  0.165  0.179  0.330  1.0
  I  I20  1  0.665  0.821  0.170  1.0
  I  I21  1  0.814  0.401  0.195  1.0
  I  I22  1  0.060  0.819  0.987  1.0
  I  I23  1  0.508  0.749  0.886  1.0
[/CIF]
.
The material described by SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one I(3), two equivalent I(1), two equivalent I(4), and three equivalent I(2) atoms. Ca(1) is bonded to one I(2), one I(4), two equivalent I(1), and two equivalent I(3) atoms to form a mixture of distorted corner and edge-sharing CaI6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ca(1) atom. 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 file [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.902
_cell_length_b   9.832
_cell_length_c   11.362
_cell_angle_alpha   56.419
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1014.604
_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  0.784  0.008  0.846  1.0
  Sr  Sr1  1  0.284  0.992  0.654  1.0
  Sr  Sr2  1  0.716  0.008  0.346  1.0
  Sr  Sr3  1  0.216  0.992  0.154  1.0
  Ca  Ca4  1  0.454  0.500  0.787  1.0
  Ca  Ca5  1  0.954  0.500  0.713  1.0
  Ca  Ca6  1  0.046  0.500  0.287  1.0
  Ca  Ca7  1  0.546  0.500  0.213  1.0
  I  I8  1  0.492  0.251  0.114  1.0
  I  I9  1  0.940  0.181  0.013  1.0
  I  I10  1  0.186  0.599  0.805  1.0
  I  I11  1  0.335  0.179  0.830  1.0
  I  I12  1  0.835  0.821  0.670  1.0
  I  I13  1  0.686  0.401  0.695  1.0
  I  I14  1  0.440  0.819  0.487  1.0
  I  I15  1  0.992  0.749  0.386  1.0
  I  I16  1  0.008  0.251  0.614  1.0
  I  I17  1  0.560  0.181  0.513  1.0
  I  I18  1  0.314  0.599  0.305  1.0
  I  I19  1  0.165  0.179  0.330  1.0
  I  I20  1  0.665  0.821  0.170  1.0
  I  I21  1  0.814  0.401  0.195  1.0
  I  I22  1  0.060  0.819  0.987  1.0
  I  I23  1  0.508  0.749  0.886  1.0
[/CIF]
.