The compound described by CaY4(AgO3)4 crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids and edges with two equivalent Y(4)O7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the third Y site, Y(3) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(4)O7 pentagonal bipyramids and corners with two equivalent Y(1)O6 pentagonal pyramids. In the fourth Y site, Y(4) is bonded to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing YO7 pentagonal bipyramids. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. In the second Ag site, Ag(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Y(2), one Y(3), one Y(4), and one Ag(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Y(1), one Y(4), and one Ag(2) atom to form distorted OCaY2Ag trigonal pyramids that share corners with two equivalent O(3)CaY2Ag tetrahedra, corners with two equivalent O(6)Y2Ag2 tetrahedra,  a cornercorner with one O(2)CaY2Ag trigonal pyramid,  an edgeedge with one O(3)CaY2Ag tetrahedra,  an edgeedge with one O(7)CaYAg2 tetrahedra,  an edgeedge with one O(2)CaY2Ag trigonal pyramid, and  a faceface with one O(3)CaY2Ag tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Y(1), one Y(4), and one Ag(2) atom to form distorted OCaY2Ag tetrahedra that share  a cornercorner with one O(3)CaY2Ag tetrahedra, corners with two equivalent O(7)CaYAg2 tetrahedra, corners with two equivalent O(2)CaY2Ag trigonal pyramids,  an edgeedge with one O(3)CaY2Ag tetrahedra,  an edgeedge with one O(6)Y2Ag2 tetrahedra,  an edgeedge with one O(2)CaY2Ag trigonal pyramid, and  a faceface with one O(2)CaY2Ag trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Y(2), one Y(3), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(4), and two equivalent Ag(1) atoms. In the sixth O site, O(6) is bonded to one Y(1), one Y(3), and two equivalent Ag(2) atoms to form OY2Ag2 tetrahedra that share corners with two equivalent O(7)CaYAg2 tetrahedra, corners with four equivalent O(2)CaY2Ag trigonal pyramids, and edges with two equivalent O(3)CaY2Ag tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), one Y(2), and two equivalent Ag(2) atoms to form OCaYAg2 tetrahedra that share corners with two equivalent O(6)Y2Ag2 tetrahedra, corners with four equivalent O(3)CaY2Ag tetrahedra, and edges with two equivalent O(2)CaY2Ag trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_CaY4(AgO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   7.285
_cell_length_c   7.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.217
_symmetry_Int_Tables_number   1
_cell_volume   320.477
_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
  Ca  Ca0  1  0.058  0.796  0.250  1.0
  Y  Y1  1  0.923  0.945  0.750  1.0
  Y  Y2  1  0.495  0.527  0.250  1.0
  Y  Y3  1  0.579  0.445  0.750  1.0
  Y  Y4  1  0.917  0.186  0.250  1.0
  Ag  Ag5  1  0.043  0.487  0.536  1.0
  Ag  Ag6  1  0.471  0.986  0.493  1.0
  Ag  Ag7  1  0.471  0.986  0.007  1.0
  Ag  Ag8  1  0.043  0.487  0.964  1.0
  O  O9  1  0.740  0.375  0.455  1.0
  O  O10  1  0.147  0.032  0.499  1.0
  O  O11  1  0.791  0.947  0.051  1.0
  O  O12  1  0.355  0.577  0.960  1.0
  O  O13  1  0.355  0.577  0.540  1.0
  O  O14  1  0.791  0.947  0.449  1.0
  O  O15  1  0.147  0.032  0.001  1.0
  O  O16  1  0.740  0.375  0.045  1.0
  O  O17  1  0.149  0.427  0.250  1.0
  O  O18  1  0.565  0.112  0.750  1.0
  O  O19  1  0.421  0.838  0.250  1.0
  O  O20  1  0.856  0.646  0.750  1.0
[/CIF]
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The compound described by CaY4(AgO3)4 crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids and edges with two equivalent Y(4)O7 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the third Y site, Y(3) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(4)O7 pentagonal bipyramids and corners with two equivalent Y(1)O6 pentagonal pyramids. In the fourth Y site, Y(4) is bonded to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing YO7 pentagonal bipyramids. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. In the second Ag site, Ag(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Y(2), one Y(3), one Y(4), and one Ag(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Y(1), one Y(4), and one Ag(2) atom to form distorted OCaY2Ag trigonal pyramids that share corners with two equivalent O(3)CaY2Ag tetrahedra, corners with two equivalent O(6)Y2Ag2 tetrahedra,  a cornercorner with one O(2)CaY2Ag trigonal pyramid,  an edgeedge with one O(3)CaY2Ag tetrahedra,  an edgeedge with one O(7)CaYAg2 tetrahedra,  an edgeedge with one O(2)CaY2Ag trigonal pyramid, and  a faceface with one O(3)CaY2Ag tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Y(1), one Y(4), and one Ag(2) atom to form distorted OCaY2Ag tetrahedra that share  a cornercorner with one O(3)CaY2Ag tetrahedra, corners with two equivalent O(7)CaYAg2 tetrahedra, corners with two equivalent O(2)CaY2Ag trigonal pyramids,  an edgeedge with one O(3)CaY2Ag tetrahedra,  an edgeedge with one O(6)Y2Ag2 tetrahedra,  an edgeedge with one O(2)CaY2Ag trigonal pyramid, and  a faceface with one O(2)CaY2Ag trigonal pyramid. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Y(2), one Y(3), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(4), and two equivalent Ag(1) atoms. In the sixth O site, O(6) is bonded to one Y(1), one Y(3), and two equivalent Ag(2) atoms to form OY2Ag2 tetrahedra that share corners with two equivalent O(7)CaYAg2 tetrahedra, corners with four equivalent O(2)CaY2Ag trigonal pyramids, and edges with two equivalent O(3)CaY2Ag tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), one Y(2), and two equivalent Ag(2) atoms to form OCaYAg2 tetrahedra that share corners with two equivalent O(6)Y2Ag2 tetrahedra, corners with four equivalent O(3)CaY2Ag tetrahedra, and edges with two equivalent O(2)CaY2Ag trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_CaY4(AgO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   7.285
_cell_length_c   7.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.217
_symmetry_Int_Tables_number   1
_cell_volume   320.477
_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
  Ca  Ca0  1  0.058  0.796  0.250  1.0
  Y  Y1  1  0.923  0.945  0.750  1.0
  Y  Y2  1  0.495  0.527  0.250  1.0
  Y  Y3  1  0.579  0.445  0.750  1.0
  Y  Y4  1  0.917  0.186  0.250  1.0
  Ag  Ag5  1  0.043  0.487  0.536  1.0
  Ag  Ag6  1  0.471  0.986  0.493  1.0
  Ag  Ag7  1  0.471  0.986  0.007  1.0
  Ag  Ag8  1  0.043  0.487  0.964  1.0
  O  O9  1  0.740  0.375  0.455  1.0
  O  O10  1  0.147  0.032  0.499  1.0
  O  O11  1  0.791  0.947  0.051  1.0
  O  O12  1  0.355  0.577  0.960  1.0
  O  O13  1  0.355  0.577  0.540  1.0
  O  O14  1  0.791  0.947  0.449  1.0
  O  O15  1  0.147  0.032  0.001  1.0
  O  O16  1  0.740  0.375  0.045  1.0
  O  O17  1  0.149  0.427  0.250  1.0
  O  O18  1  0.565  0.112  0.750  1.0
  O  O19  1  0.421  0.838  0.250  1.0
  O  O20  1  0.856  0.646  0.750  1.0
[/CIF]
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