The material described by SrCa2I6 is Hydrophilite-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Sr(1) is bonded to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) atom to form SrI6 octahedra that share corners with four equivalent Ca(2)I6 octahedra, corners with two equivalent Ca(1)I6 pentagonal pyramids,  an edgeedge with one Ca(2)I6 octahedra, and edges with two equivalent Ca(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 38-63°. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one I(2), one I(3), one I(4), one I(6), and two equivalent I(1) atoms to form distorted CaI6 pentagonal pyramids that share corners with two equivalent Sr(1)I6 octahedra, corners with four equivalent Ca(2)I6 octahedra, corners with two equivalent Ca(1)I6 pentagonal pyramids, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 29-70°. In the second Ca site, Ca(2) is bonded to one I(2), one I(3), one I(4), one I(6), and two equivalent I(5) atoms to form CaI6 octahedra that share corners with two equivalent Ca(2)I6 octahedra, corners with four equivalent Sr(1)I6 octahedra, corners with four equivalent Ca(1)I6 pentagonal pyramids, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. There are six inequivalent I sites. In the first I site, I(1) is bonded in a trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(2) atoms. In the sixth I site, I(6) is bonded in a T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. is represented by the CIF card [CIF]
data_SrCa2I6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   14.524
_cell_length_c   14.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1578.547
_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  0.729  0.605  0.754  1.0
  Sr  Sr1  1  0.271  0.105  0.746  1.0
  Sr  Sr2  1  0.229  0.895  0.246  1.0
  Sr  Sr3  1  0.771  0.395  0.254  1.0
  Ca  Ca4  1  0.785  0.703  0.374  1.0
  Ca  Ca5  1  0.693  0.118  0.438  1.0
  Ca  Ca6  1  0.307  0.618  0.062  1.0
  Ca  Ca7  1  0.215  0.203  0.126  1.0
  Ca  Ca8  1  0.285  0.797  0.626  1.0
  Ca  Ca9  1  0.193  0.382  0.562  1.0
  Ca  Ca10  1  0.807  0.882  0.938  1.0
  Ca  Ca11  1  0.715  0.297  0.874  1.0
  I  I12  1  0.613  0.272  0.081  1.0
  I  I13  1  0.538  0.580  0.240  1.0
  I  I14  1  0.625  0.077  0.878  1.0
  I  I15  1  0.522  0.496  0.918  1.0
  I  I16  1  0.492  0.315  0.418  1.0
  I  I17  1  0.483  0.292  0.694  1.0
  I  I18  1  0.517  0.792  0.806  1.0
  I  I19  1  0.508  0.815  0.082  1.0
  I  I20  1  0.478  0.996  0.582  1.0
  I  I21  1  0.375  0.577  0.622  1.0
  I  I22  1  0.462  0.080  0.260  1.0
  I  I23  1  0.387  0.772  0.419  1.0
  I  I24  1  0.113  0.228  0.919  1.0
  I  I25  1  0.038  0.920  0.760  1.0
  I  I26  1  0.125  0.423  0.122  1.0
  I  I27  1  0.022  0.004  0.082  1.0
  I  I28  1  0.992  0.185  0.582  1.0
  I  I29  1  0.983  0.208  0.306  1.0
  I  I30  1  0.017  0.708  0.194  1.0
  I  I31  1  0.008  0.685  0.918  1.0
  I  I32  1  0.978  0.504  0.418  1.0
  I  I33  1  0.875  0.923  0.378  1.0
  I  I34  1  0.962  0.420  0.740  1.0
  I  I35  1  0.887  0.728  0.581  1.0
[/CIF]
.
The material described by SrCa2I6 is Hydrophilite-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Sr(1) is bonded to one I(1), one I(2), one I(3), one I(4), one I(5), and one I(6) atom to form SrI6 octahedra that share corners with four equivalent Ca(2)I6 octahedra, corners with two equivalent Ca(1)I6 pentagonal pyramids,  an edgeedge with one Ca(2)I6 octahedra, and edges with two equivalent Ca(1)I6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 38-63°. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one I(2), one I(3), one I(4), one I(6), and two equivalent I(1) atoms to form distorted CaI6 pentagonal pyramids that share corners with two equivalent Sr(1)I6 octahedra, corners with four equivalent Ca(2)I6 octahedra, corners with two equivalent Ca(1)I6 pentagonal pyramids, and edges with two equivalent Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 29-70°. In the second Ca site, Ca(2) is bonded to one I(2), one I(3), one I(4), one I(6), and two equivalent I(5) atoms to form CaI6 octahedra that share corners with two equivalent Ca(2)I6 octahedra, corners with four equivalent Sr(1)I6 octahedra, corners with four equivalent Ca(1)I6 pentagonal pyramids, and  an edgeedge with one Sr(1)I6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. There are six inequivalent I sites. In the first I site, I(1) is bonded in a trigonal planar geometry to one Sr(1) and two equivalent Ca(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the third I site, I(3) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the fourth I site, I(4) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. In the fifth I site, I(5) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Ca(2) atoms. In the sixth I site, I(6) is bonded in a T-shaped geometry to one Sr(1), one Ca(1), and one Ca(2) atom. is represented by the CIF card [CIF]
data_SrCa2I6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   14.524
_cell_length_c   14.648
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1578.547
_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  0.729  0.605  0.754  1.0
  Sr  Sr1  1  0.271  0.105  0.746  1.0
  Sr  Sr2  1  0.229  0.895  0.246  1.0
  Sr  Sr3  1  0.771  0.395  0.254  1.0
  Ca  Ca4  1  0.785  0.703  0.374  1.0
  Ca  Ca5  1  0.693  0.118  0.438  1.0
  Ca  Ca6  1  0.307  0.618  0.062  1.0
  Ca  Ca7  1  0.215  0.203  0.126  1.0
  Ca  Ca8  1  0.285  0.797  0.626  1.0
  Ca  Ca9  1  0.193  0.382  0.562  1.0
  Ca  Ca10  1  0.807  0.882  0.938  1.0
  Ca  Ca11  1  0.715  0.297  0.874  1.0
  I  I12  1  0.613  0.272  0.081  1.0
  I  I13  1  0.538  0.580  0.240  1.0
  I  I14  1  0.625  0.077  0.878  1.0
  I  I15  1  0.522  0.496  0.918  1.0
  I  I16  1  0.492  0.315  0.418  1.0
  I  I17  1  0.483  0.292  0.694  1.0
  I  I18  1  0.517  0.792  0.806  1.0
  I  I19  1  0.508  0.815  0.082  1.0
  I  I20  1  0.478  0.996  0.582  1.0
  I  I21  1  0.375  0.577  0.622  1.0
  I  I22  1  0.462  0.080  0.260  1.0
  I  I23  1  0.387  0.772  0.419  1.0
  I  I24  1  0.113  0.228  0.919  1.0
  I  I25  1  0.038  0.920  0.760  1.0
  I  I26  1  0.125  0.423  0.122  1.0
  I  I27  1  0.022  0.004  0.082  1.0
  I  I28  1  0.992  0.185  0.582  1.0
  I  I29  1  0.983  0.208  0.306  1.0
  I  I30  1  0.017  0.708  0.194  1.0
  I  I31  1  0.008  0.685  0.918  1.0
  I  I32  1  0.978  0.504  0.418  1.0
  I  I33  1  0.875  0.923  0.378  1.0
  I  I34  1  0.962  0.420  0.740  1.0
  I  I35  1  0.887  0.728  0.581  1.0
[/CIF]
.