The material structure described by SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded to one I(4), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted SrI7 pentagonal bipyramids that share corners with three equivalent Ca(1)I5 trigonal bipyramids, edges with three equivalent Sr(1)I7 pentagonal bipyramids, and edges with three equivalent Ca(1)I5 trigonal bipyramids. Ca(1) is bonded to one I(1), one I(2), one I(4), and two equivalent I(3) atoms to form distorted CaI5 trigonal bipyramids that share corners with three equivalent Sr(1)I7 pentagonal bipyramids, corners with two equivalent Ca(1)I5 trigonal bipyramids, and edges with three equivalent Sr(1)I7 pentagonal bipyramids. 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 non-coplanar geometry to two equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded to two equivalent Sr(1) and two equivalent Ca(1) atoms to form distorted edge-sharing ISr2Ca2 trigonal pyramids. In the fourth I site, I(4) is bonded in a water-like geometry to one 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   16.326
_cell_length_b   8.105
_cell_length_c   8.370
_cell_angle_alpha   85.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1104.648
_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  0.866  0.345  0.894  1.0
  Sr  Sr1  1  0.634  0.345  0.394  1.0
  Sr  Sr2  1  0.366  0.655  0.606  1.0
  Sr  Sr3  1  0.134  0.655  0.106  1.0
  Ca  Ca4  1  0.137  0.227  0.742  1.0
  Ca  Ca5  1  0.363  0.227  0.242  1.0
  Ca  Ca6  1  0.637  0.773  0.758  1.0
  Ca  Ca7  1  0.863  0.773  0.258  1.0
  I  I8  1  0.705  0.126  0.728  1.0
  I  I9  1  0.450  0.269  0.568  1.0
  I  I10  1  0.280  0.410  0.926  1.0
  I  I11  1  0.795  0.126  0.228  1.0
  I  I12  1  0.970  0.235  0.592  1.0
  I  I13  1  0.050  0.269  0.068  1.0
  I  I14  1  0.220  0.410  0.426  1.0
  I  I15  1  0.530  0.235  0.092  1.0
  I  I16  1  0.470  0.765  0.908  1.0
  I  I17  1  0.780  0.590  0.574  1.0
  I  I18  1  0.950  0.731  0.932  1.0
  I  I19  1  0.030  0.765  0.408  1.0
  I  I20  1  0.205  0.874  0.772  1.0
  I  I21  1  0.720  0.590  0.074  1.0
  I  I22  1  0.550  0.731  0.432  1.0
  I  I23  1  0.295  0.874  0.272  1.0
[/CIF]
.
The material structure described by SrCaI4 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded to one I(4), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms to form distorted SrI7 pentagonal bipyramids that share corners with three equivalent Ca(1)I5 trigonal bipyramids, edges with three equivalent Sr(1)I7 pentagonal bipyramids, and edges with three equivalent Ca(1)I5 trigonal bipyramids. Ca(1) is bonded to one I(1), one I(2), one I(4), and two equivalent I(3) atoms to form distorted CaI5 trigonal bipyramids that share corners with three equivalent Sr(1)I7 pentagonal bipyramids, corners with two equivalent Ca(1)I5 trigonal bipyramids, and edges with three equivalent Sr(1)I7 pentagonal bipyramids. 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 non-coplanar geometry to two equivalent Sr(1) and one Ca(1) atom. In the third I site, I(3) is bonded to two equivalent Sr(1) and two equivalent Ca(1) atoms to form distorted edge-sharing ISr2Ca2 trigonal pyramids. In the fourth I site, I(4) is bonded in a water-like geometry to one 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   16.326
_cell_length_b   8.105
_cell_length_c   8.370
_cell_angle_alpha   85.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1104.648
_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  0.866  0.345  0.894  1.0
  Sr  Sr1  1  0.634  0.345  0.394  1.0
  Sr  Sr2  1  0.366  0.655  0.606  1.0
  Sr  Sr3  1  0.134  0.655  0.106  1.0
  Ca  Ca4  1  0.137  0.227  0.742  1.0
  Ca  Ca5  1  0.363  0.227  0.242  1.0
  Ca  Ca6  1  0.637  0.773  0.758  1.0
  Ca  Ca7  1  0.863  0.773  0.258  1.0
  I  I8  1  0.705  0.126  0.728  1.0
  I  I9  1  0.450  0.269  0.568  1.0
  I  I10  1  0.280  0.410  0.926  1.0
  I  I11  1  0.795  0.126  0.228  1.0
  I  I12  1  0.970  0.235  0.592  1.0
  I  I13  1  0.050  0.269  0.068  1.0
  I  I14  1  0.220  0.410  0.426  1.0
  I  I15  1  0.530  0.235  0.092  1.0
  I  I16  1  0.470  0.765  0.908  1.0
  I  I17  1  0.780  0.590  0.574  1.0
  I  I18  1  0.950  0.731  0.932  1.0
  I  I19  1  0.030  0.765  0.408  1.0
  I  I20  1  0.205  0.874  0.772  1.0
  I  I21  1  0.720  0.590  0.074  1.0
  I  I22  1  0.550  0.731  0.432  1.0
  I  I23  1  0.295  0.874  0.272  1.0
[/CIF]
.