The compound described by Ca(AgO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Ag(4)O6 octahedra, and corners with six equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(1)O6 octahedra, corners with three equivalent Ag(3)O6 octahedra, and corners with six equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(6)O4 tetrahedra, edges with three equivalent Ag(1)O6 octahedra, and edges with three equivalent Ag(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(2)O6 octahedra, corners with three equivalent Ag(5)O6 octahedra, and corners with six equivalent Ag(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(2)O6 octahedra, corners with three equivalent Ag(3)O6 octahedra, and corners with six equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(4)O6 octahedra, corners with three equivalent Ag(5)O6 octahedra, and corners with six equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Ag(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ag(3)O6 octahedra, and edges with four equivalent Ag(1)O6 octahedra. In the second Ag site, Ag(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ag(3)O6 octahedra,  an edgeedge with one Ag(5)O6 octahedra, and edges with four equivalent Ag(2)O6 octahedra. In the third Ag site, Ag(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AgO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Ag(1)O6 octahedra, and edges with three equivalent Ag(2)O6 octahedra. In the fourth Ag site, Ag(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Ag(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ag(5)O6 octahedra, and edges with four equivalent Ag(4)O6 octahedra. In the fifth Ag site, Ag(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form AgO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra, edges with three equivalent Ag(2)O6 octahedra, and edges with three equivalent Ag(4)O6 octahedra. In the sixth Ag site, Ag(6) is bonded to one O(5) and three equivalent O(11) atoms to form AgO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Ag(1)O6 octahedra, and corners with six equivalent Ag(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Ag(1) atoms to form distorted OCa2Ag2 trigonal pyramids that share corners with four equivalent O(3)CaAg3 tetrahedra,  a cornercorner with one O(10)CaAg3 trigonal pyramid, corners with two equivalent O(5)Ag4 trigonal pyramids, corners with two equivalent O(1)Ca2Ag2 trigonal pyramids, corners with three equivalent O(11)CaAg3 trigonal pyramids,  an edgeedge with one O(2)CaAg3 trigonal pyramid, and edges with two equivalent O(1)Ca2Ag2 trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2) and three equivalent Ag(1) atoms to form distorted OCaAg3 trigonal pyramids that share corners with three equivalent O(4)CaAg3 tetrahedra, corners with six equivalent O(3)CaAg3 tetrahedra, corners with three equivalent O(5)Ag4 trigonal pyramids, and edges with three equivalent O(1)Ca2Ag2 trigonal pyramids. In the third O site, O(3) is bonded to one Ca(5), one Ag(3), and two equivalent Ag(1) atoms to form OCaAg3 tetrahedra that share corners with two equivalent O(3)CaAg3 tetrahedra, corners with three equivalent O(4)CaAg3 tetrahedra,  a cornercorner with one O(9)CaAg3 trigonal pyramid, corners with two equivalent O(2)CaAg3 trigonal pyramids, corners with four equivalent O(1)Ca2Ag2 trigonal pyramids, edges with two equivalent O(3)CaAg3 tetrahedra, and  an edgeedge with one O(5)Ag4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(2), one Ag(3), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the fifth O site, O(5) is bonded to one Ag(6) and three equivalent Ag(1) atoms to form distorted OAg4 trigonal pyramids that share corners with three equivalent O(11)CaAg3 trigonal pyramids, corners with three equivalent O(2)CaAg3 trigonal pyramids, corners with six equivalent O(1)Ca2Ag2 trigonal pyramids, and edges with three equivalent O(3)CaAg3 tetrahedra. In the sixth O site, O(6) is bonded to one Ca(4) and three equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the seventh O site, O(7) is bonded to one Ca(6), one Ag(5), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ca(4), one Ag(5), and two equivalent Ag(4) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the ninth O site, O(9) is bonded to one Ca(5) and three equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1) and three equivalent Ag(4) atoms to form distorted OCaAg3 trigonal pyramids that share corners with three equivalent O(12)CaAg3 tetrahedra, corners with three equivalent O(1)Ca2Ag2 trigonal pyramids, corners with six equivalent O(11)CaAg3 trigonal pyramids, and edges with three equivalent O(8)CaAg3 tetrahedra. In the eleventh O site, O(11) is bonded to one Ca(3), one Ag(6), and two equivalent Ag(4) atoms to form OCaAg3 trigonal pyramids that share corners with four equivalent O(8)CaAg3 tetrahedra,  a cornercorner with one O(5)Ag4 trigonal pyramid, corners with two equivalent O(10)CaAg3 trigonal pyramids, corners with two equivalent O(11)CaAg3 trigonal pyramids, corners with three equivalent O(1)Ca2Ag2 trigonal pyramids,  an edgeedge with one O(12)CaAg3 tetrahedra, and edges with two equivalent O(11)CaAg3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Ca(6) and three equivalent Ag(4) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. is represented by the CIF card [CIF]
data_Ca(AgO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.645
_cell_length_c   16.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   617.780
_cell_formula_units_Z   6
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  0.333  0.667  0.955  1.0
  Ca  Ca1  1  0.000  0.000  0.622  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.667  0.333  0.284  1.0
  Ca  Ca4  1  0.333  0.667  0.714  1.0
  Ca  Ca5  1  0.000  0.000  0.374  1.0
  Ag  Ag6  1  0.834  0.669  0.834  1.0
  Ag  Ag7  1  0.331  0.166  0.834  1.0
  Ag  Ag8  1  0.499  0.997  0.499  1.0
  Ag  Ag9  1  0.834  0.166  0.834  1.0
  Ag  Ag10  1  0.667  0.333  0.666  1.0
  Ag  Ag11  1  0.003  0.501  0.499  1.0
  Ag  Ag12  1  0.169  0.338  0.166  1.0
  Ag  Ag13  1  0.499  0.501  0.499  1.0
  Ag  Ag14  1  0.169  0.831  0.166  1.0
  Ag  Ag15  1  0.333  0.667  0.334  1.0
  Ag  Ag16  1  0.662  0.831  0.166  1.0
  Ag  Ag17  1  0.667  0.333  0.042  1.0
  O  O18  1  0.695  0.847  0.903  1.0
  O  O19  1  0.000  0.000  0.760  1.0
  O  O20  1  0.153  0.847  0.903  1.0
  O  O21  1  0.153  0.305  0.903  1.0
  O  O22  1  0.525  0.051  0.761  1.0
  O  O23  1  0.374  0.187  0.577  1.0
  O  O24  1  0.525  0.475  0.761  1.0
  O  O25  1  0.667  0.333  0.908  1.0
  O  O26  1  0.813  0.187  0.577  1.0
  O  O27  1  0.667  0.333  0.429  1.0
  O  O28  1  0.949  0.475  0.761  1.0
  O  O29  1  0.813  0.626  0.577  1.0
  O  O30  1  0.184  0.368  0.421  1.0
  O  O31  1  0.042  0.521  0.245  1.0
  O  O32  1  0.184  0.816  0.421  1.0
  O  O33  1  0.333  0.667  0.573  1.0
  O  O34  1  0.333  0.667  0.094  1.0
  O  O35  1  0.479  0.521  0.245  1.0
  O  O36  1  0.632  0.816  0.421  1.0
  O  O37  1  0.479  0.958  0.245  1.0
  O  O38  1  0.845  0.690  0.098  1.0
  O  O39  1  0.000  0.000  0.233  1.0
  O  O40  1  0.845  0.155  0.098  1.0
  O  O41  1  0.310  0.155  0.098  1.0
[/CIF]
.
The compound described by Ca(AgO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10) and three equivalent O(1) atoms to form CaO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Ag(4)O6 octahedra, and corners with six equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Ca site, Ca(2) is bonded to one O(2) and three equivalent O(4) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(1)O6 octahedra, corners with three equivalent Ag(3)O6 octahedra, and corners with six equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the third Ca site, Ca(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form CaO6 octahedra that share corners with three equivalent Ca(1)O4 tetrahedra, corners with three equivalent Ag(6)O4 tetrahedra, edges with three equivalent Ag(1)O6 octahedra, and edges with three equivalent Ag(4)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(6) and three equivalent O(8) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(2)O6 octahedra, corners with three equivalent Ag(5)O6 octahedra, and corners with six equivalent Ag(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the fifth Ca site, Ca(5) is bonded to one O(9) and three equivalent O(3) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(2)O6 octahedra, corners with three equivalent Ag(3)O6 octahedra, and corners with six equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the sixth Ca site, Ca(6) is bonded to one O(12) and three equivalent O(7) atoms to form CaO4 tetrahedra that share corners with three equivalent Ag(4)O6 octahedra, corners with three equivalent Ag(5)O6 octahedra, and corners with six equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(2)O4 tetrahedra,  a cornercorner with one Ag(6)O4 tetrahedra, corners with two equivalent Ca(1)O4 tetrahedra, corners with two equivalent Ca(5)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ag(3)O6 octahedra, and edges with four equivalent Ag(1)O6 octahedra. In the second Ag site, Ag(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(4)O4 tetrahedra,  a cornercorner with one Ca(5)O4 tetrahedra, corners with two equivalent Ca(2)O4 tetrahedra, corners with two equivalent Ca(6)O4 tetrahedra,  an edgeedge with one Ag(3)O6 octahedra,  an edgeedge with one Ag(5)O6 octahedra, and edges with four equivalent Ag(2)O6 octahedra. In the third Ag site, Ag(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AgO6 octahedra that share corners with three equivalent Ca(2)O4 tetrahedra, corners with three equivalent Ca(5)O4 tetrahedra, edges with three equivalent Ag(1)O6 octahedra, and edges with three equivalent Ag(2)O6 octahedra. In the fourth Ag site, Ag(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form AgO6 octahedra that share  a cornercorner with one Ca(1)O4 tetrahedra,  a cornercorner with one Ca(6)O4 tetrahedra, corners with two equivalent Ca(4)O4 tetrahedra, corners with two equivalent Ag(6)O4 tetrahedra,  an edgeedge with one Ca(3)O6 octahedra,  an edgeedge with one Ag(5)O6 octahedra, and edges with four equivalent Ag(4)O6 octahedra. In the fifth Ag site, Ag(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form AgO6 octahedra that share corners with three equivalent Ca(4)O4 tetrahedra, corners with three equivalent Ca(6)O4 tetrahedra, edges with three equivalent Ag(2)O6 octahedra, and edges with three equivalent Ag(4)O6 octahedra. In the sixth Ag site, Ag(6) is bonded to one O(5) and three equivalent O(11) atoms to form AgO4 tetrahedra that share corners with three equivalent Ca(3)O6 octahedra, corners with three equivalent Ag(1)O6 octahedra, and corners with six equivalent Ag(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(3), and two equivalent Ag(1) atoms to form distorted OCa2Ag2 trigonal pyramids that share corners with four equivalent O(3)CaAg3 tetrahedra,  a cornercorner with one O(10)CaAg3 trigonal pyramid, corners with two equivalent O(5)Ag4 trigonal pyramids, corners with two equivalent O(1)Ca2Ag2 trigonal pyramids, corners with three equivalent O(11)CaAg3 trigonal pyramids,  an edgeedge with one O(2)CaAg3 trigonal pyramid, and edges with two equivalent O(1)Ca2Ag2 trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2) and three equivalent Ag(1) atoms to form distorted OCaAg3 trigonal pyramids that share corners with three equivalent O(4)CaAg3 tetrahedra, corners with six equivalent O(3)CaAg3 tetrahedra, corners with three equivalent O(5)Ag4 trigonal pyramids, and edges with three equivalent O(1)Ca2Ag2 trigonal pyramids. In the third O site, O(3) is bonded to one Ca(5), one Ag(3), and two equivalent Ag(1) atoms to form OCaAg3 tetrahedra that share corners with two equivalent O(3)CaAg3 tetrahedra, corners with three equivalent O(4)CaAg3 tetrahedra,  a cornercorner with one O(9)CaAg3 trigonal pyramid, corners with two equivalent O(2)CaAg3 trigonal pyramids, corners with four equivalent O(1)Ca2Ag2 trigonal pyramids, edges with two equivalent O(3)CaAg3 tetrahedra, and  an edgeedge with one O(5)Ag4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ca(2), one Ag(3), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the fifth O site, O(5) is bonded to one Ag(6) and three equivalent Ag(1) atoms to form distorted OAg4 trigonal pyramids that share corners with three equivalent O(11)CaAg3 trigonal pyramids, corners with three equivalent O(2)CaAg3 trigonal pyramids, corners with six equivalent O(1)Ca2Ag2 trigonal pyramids, and edges with three equivalent O(3)CaAg3 tetrahedra. In the sixth O site, O(6) is bonded to one Ca(4) and three equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the seventh O site, O(7) is bonded to one Ca(6), one Ag(5), and two equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ca(4), one Ag(5), and two equivalent Ag(4) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. In the ninth O site, O(9) is bonded to one Ca(5) and three equivalent Ag(2) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1) and three equivalent Ag(4) atoms to form distorted OCaAg3 trigonal pyramids that share corners with three equivalent O(12)CaAg3 tetrahedra, corners with three equivalent O(1)Ca2Ag2 trigonal pyramids, corners with six equivalent O(11)CaAg3 trigonal pyramids, and edges with three equivalent O(8)CaAg3 tetrahedra. In the eleventh O site, O(11) is bonded to one Ca(3), one Ag(6), and two equivalent Ag(4) atoms to form OCaAg3 trigonal pyramids that share corners with four equivalent O(8)CaAg3 tetrahedra,  a cornercorner with one O(5)Ag4 trigonal pyramid, corners with two equivalent O(10)CaAg3 trigonal pyramids, corners with two equivalent O(11)CaAg3 trigonal pyramids, corners with three equivalent O(1)Ca2Ag2 trigonal pyramids,  an edgeedge with one O(12)CaAg3 tetrahedra, and edges with two equivalent O(11)CaAg3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Ca(6) and three equivalent Ag(4) atoms to form a mixture of distorted corner and edge-sharing OCaAg3 tetrahedra. is represented by the CIF card [CIF]
data_Ca(AgO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.645
_cell_length_b   6.645
_cell_length_c   16.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   617.780
_cell_formula_units_Z   6
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  0.333  0.667  0.955  1.0
  Ca  Ca1  1  0.000  0.000  0.622  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.667  0.333  0.284  1.0
  Ca  Ca4  1  0.333  0.667  0.714  1.0
  Ca  Ca5  1  0.000  0.000  0.374  1.0
  Ag  Ag6  1  0.834  0.669  0.834  1.0
  Ag  Ag7  1  0.331  0.166  0.834  1.0
  Ag  Ag8  1  0.499  0.997  0.499  1.0
  Ag  Ag9  1  0.834  0.166  0.834  1.0
  Ag  Ag10  1  0.667  0.333  0.666  1.0
  Ag  Ag11  1  0.003  0.501  0.499  1.0
  Ag  Ag12  1  0.169  0.338  0.166  1.0
  Ag  Ag13  1  0.499  0.501  0.499  1.0
  Ag  Ag14  1  0.169  0.831  0.166  1.0
  Ag  Ag15  1  0.333  0.667  0.334  1.0
  Ag  Ag16  1  0.662  0.831  0.166  1.0
  Ag  Ag17  1  0.667  0.333  0.042  1.0
  O  O18  1  0.695  0.847  0.903  1.0
  O  O19  1  0.000  0.000  0.760  1.0
  O  O20  1  0.153  0.847  0.903  1.0
  O  O21  1  0.153  0.305  0.903  1.0
  O  O22  1  0.525  0.051  0.761  1.0
  O  O23  1  0.374  0.187  0.577  1.0
  O  O24  1  0.525  0.475  0.761  1.0
  O  O25  1  0.667  0.333  0.908  1.0
  O  O26  1  0.813  0.187  0.577  1.0
  O  O27  1  0.667  0.333  0.429  1.0
  O  O28  1  0.949  0.475  0.761  1.0
  O  O29  1  0.813  0.626  0.577  1.0
  O  O30  1  0.184  0.368  0.421  1.0
  O  O31  1  0.042  0.521  0.245  1.0
  O  O32  1  0.184  0.816  0.421  1.0
  O  O33  1  0.333  0.667  0.573  1.0
  O  O34  1  0.333  0.667  0.094  1.0
  O  O35  1  0.479  0.521  0.245  1.0
  O  O36  1  0.632  0.816  0.421  1.0
  O  O37  1  0.479  0.958  0.245  1.0
  O  O38  1  0.845  0.690  0.098  1.0
  O  O39  1  0.000  0.000  0.233  1.0
  O  O40  1  0.845  0.155  0.098  1.0
  O  O41  1  0.310  0.155  0.098  1.0
[/CIF]
.