The material structure described by SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm 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 47-49°. 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 47-49°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped 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 Crystallographic Information File (CIF) [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   7.636
_cell_length_c   4.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   279.142
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.207  0.207  0.500  1.0
  I  I3  1  0.692  0.308  0.000  1.0
  I  I4  1  0.308  0.692  0.000  1.0
  I  I5  1  0.793  0.793  0.500  1.0
[/CIF]
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The material structure described by SrCaI4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm 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 47-49°. 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 47-49°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped 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 Crystallographic Information File (CIF) [CIF]
data_SrCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   7.636
_cell_length_c   4.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.020
_symmetry_Int_Tables_number   1
_cell_volume   279.142
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  I  I2  1  0.207  0.207  0.500  1.0
  I  I3  1  0.692  0.308  0.000  1.0
  I  I4  1  0.308  0.692  0.000  1.0
  I  I5  1  0.793  0.793  0.500  1.0
[/CIF]
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