The crystal structure described by SrCa2(FeO2)3 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Fe(1) atoms to form OSr2Ca2Fe2 octahedra that share corners with six equivalent O(2)Ca4Fe2 octahedra, corners with eight equivalent O(1)Sr2Ca2Fe2 octahedra,  an edgeedge with one O(2)Ca4Fe2 octahedra, edges with three equivalent O(1)Sr2Ca2Fe2 octahedra, and faces with four equivalent O(1)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Fe(2) atoms to form OCa4Fe2 octahedra that share corners with two equivalent O(2)Ca4Fe2 octahedra, corners with twelve equivalent O(1)Sr2Ca2Fe2 octahedra, edges with two equivalent O(2)Ca4Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, and faces with four equivalent O(2)Ca4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_SrCa2(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   4.018
_cell_length_c   9.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.747
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.337  1.0
  Ca  Ca2  1  0.500  0.500  0.663  1.0
  Fe  Fe3  1  0.000  0.000  0.823  1.0
  Fe  Fe4  1  0.000  0.000  0.177  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.177  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.500  0.823  1.0
  O  O9  1  0.500  0.000  0.177  1.0
  O  O10  1  0.500  0.000  0.500  1.0
  O  O11  1  0.500  0.000  0.823  1.0
[/CIF]
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The crystal structure described by SrCa2(FeO2)3 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Fe(1) atoms to form OSr2Ca2Fe2 octahedra that share corners with six equivalent O(2)Ca4Fe2 octahedra, corners with eight equivalent O(1)Sr2Ca2Fe2 octahedra,  an edgeedge with one O(2)Ca4Fe2 octahedra, edges with three equivalent O(1)Sr2Ca2Fe2 octahedra, and faces with four equivalent O(1)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Fe(2) atoms to form OCa4Fe2 octahedra that share corners with two equivalent O(2)Ca4Fe2 octahedra, corners with twelve equivalent O(1)Sr2Ca2Fe2 octahedra, edges with two equivalent O(2)Ca4Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, and faces with four equivalent O(2)Ca4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the CIF card [CIF]
data_SrCa2(FeO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   4.018
_cell_length_c   9.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.747
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.337  1.0
  Ca  Ca2  1  0.500  0.500  0.663  1.0
  Fe  Fe3  1  0.000  0.000  0.823  1.0
  Fe  Fe4  1  0.000  0.000  0.177  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.177  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.000  0.500  0.823  1.0
  O  O9  1  0.500  0.000  0.177  1.0
  O  O10  1  0.500  0.000  0.500  1.0
  O  O11  1  0.500  0.000  0.823  1.0
[/CIF]
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