The material described by SrCa3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra and edges with twelve equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Ca(1) atoms to form OSr2Ca4 octahedra that share corners with six equivalent O(1)Sr2Ca4 octahedra, edges with four equivalent O(2)Ca6 octahedra, and edges with eight equivalent O(1)Sr2Ca4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Ca(1) atoms to form OCa6 octahedra that share corners with six equivalent O(2)Ca6 octahedra and edges with twelve equivalent O(1)Sr2Ca4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_SrCa3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.946
_cell_length_b   4.946
_cell_length_c   4.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.986
_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  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  Ca  Ca3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by SrCa3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra and edges with twelve equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Ca(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Ca(1) atoms to form OSr2Ca4 octahedra that share corners with six equivalent O(1)Sr2Ca4 octahedra, edges with four equivalent O(2)Ca6 octahedra, and edges with eight equivalent O(1)Sr2Ca4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Ca(1) atoms to form OCa6 octahedra that share corners with six equivalent O(2)Ca6 octahedra and edges with twelve equivalent O(1)Sr2Ca4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_SrCa3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.946
_cell_length_b   4.946
_cell_length_c   4.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.986
_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  0.000  0.500  0.500  1.0
  Ca  Ca2  1  0.500  0.000  0.500  1.0
  Ca  Ca3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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