The crystal structure described by Ca(AgO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Ca site, Ca(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(1)O4 tetrahedra, and edges with six equivalent Ag(2)O6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2) and three equivalent O(1) atoms to form AgO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Ag site, Ag(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form AgO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(1)O4 tetrahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with four equivalent Ag(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ag(1), and two equivalent Ag(2) atoms to form OCaAg3 trigonal pyramids that share corners with seven equivalent O(4)Ca2Ag2 tetrahedra, corners with two equivalent O(1)CaAg3 trigonal pyramids, and edges with two equivalent O(1)CaAg3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent Ag(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent Ag(2) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Ag(2) atoms to form OCa2Ag2 tetrahedra that share corners with two equivalent O(4)Ca2Ag2 tetrahedra, corners with seven equivalent O(1)CaAg3 trigonal pyramids, and edges with two equivalent O(4)Ca2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_Ca(AgO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.606
_cell_length_b   6.606
_cell_length_c   6.606
_cell_angle_alpha   60.432
_cell_angle_beta   60.432
_cell_angle_gamma   60.432
_symmetry_Int_Tables_number   1
_cell_volume   205.811
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.019  0.019  0.019  1.0
  Ca  Ca1  1  0.623  0.623  0.623  1.0
  Ag  Ag2  1  0.243  0.243  0.243  1.0
  Ag  Ag3  1  0.626  0.123  0.626  1.0
  Ag  Ag4  1  0.626  0.626  0.123  1.0
  Ag  Ag5  1  0.123  0.626  0.626  1.0
  O  O6  1  0.820  0.372  0.372  1.0
  O  O7  1  0.372  0.372  0.820  1.0
  O  O8  1  0.372  0.820  0.372  1.0
  O  O9  1  0.374  0.374  0.374  1.0
  O  O10  1  0.878  0.878  0.878  1.0
  O  O11  1  0.869  0.435  0.869  1.0
  O  O12  1  0.869  0.869  0.435  1.0
  O  O13  1  0.435  0.869  0.869  1.0
[/CIF]
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The crystal structure described by Ca(AgO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Ca site, Ca(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(1)O4 tetrahedra, and edges with six equivalent Ag(2)O6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2) and three equivalent O(1) atoms to form AgO4 tetrahedra that share corners with three equivalent Ca(2)O6 octahedra and corners with nine equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Ag site, Ag(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form AgO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(1)O4 tetrahedra, edges with two equivalent Ca(2)O6 octahedra, and edges with four equivalent Ag(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one Ag(1), and two equivalent Ag(2) atoms to form OCaAg3 trigonal pyramids that share corners with seven equivalent O(4)Ca2Ag2 tetrahedra, corners with two equivalent O(1)CaAg3 trigonal pyramids, and edges with two equivalent O(1)CaAg3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent Ag(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1) and three equivalent Ag(2) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Ag(2) atoms to form OCa2Ag2 tetrahedra that share corners with two equivalent O(4)Ca2Ag2 tetrahedra, corners with seven equivalent O(1)CaAg3 trigonal pyramids, and edges with two equivalent O(4)Ca2Ag2 tetrahedra. is represented by the CIF file [CIF]
data_Ca(AgO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.606
_cell_length_b   6.606
_cell_length_c   6.606
_cell_angle_alpha   60.432
_cell_angle_beta   60.432
_cell_angle_gamma   60.432
_symmetry_Int_Tables_number   1
_cell_volume   205.811
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.019  0.019  0.019  1.0
  Ca  Ca1  1  0.623  0.623  0.623  1.0
  Ag  Ag2  1  0.243  0.243  0.243  1.0
  Ag  Ag3  1  0.626  0.123  0.626  1.0
  Ag  Ag4  1  0.626  0.626  0.123  1.0
  Ag  Ag5  1  0.123  0.626  0.626  1.0
  O  O6  1  0.820  0.372  0.372  1.0
  O  O7  1  0.372  0.372  0.820  1.0
  O  O8  1  0.372  0.820  0.372  1.0
  O  O9  1  0.374  0.374  0.374  1.0
  O  O10  1  0.878  0.878  0.878  1.0
  O  O11  1  0.869  0.435  0.869  1.0
  O  O12  1  0.869  0.869  0.435  1.0
  O  O13  1  0.435  0.869  0.869  1.0
[/CIF]
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