The crystal structure described by CaY4(BiO3)4 crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(1) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form distorted YO4 trigonal pyramids that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent Y(4)O6 pentagonal pyramids, and corners with two equivalent Y(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-78°. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the third Y site, Y(3) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form distorted YO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent Y(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-82°. In the fourth Y site, Y(4) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Y(1)O4 trigonal pyramids, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Y(4)O6 pentagonal pyramid, corners with two equivalent Y(3)O4 tetrahedra, corners with two equivalent Y(1)O4 trigonal pyramids, and  an edgeedge with one Y(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 58-70°. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), 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 T-shaped geometry to one Ca(1), one Y(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Y(1), one Y(4), one Bi(1), and one Bi(2) atom to form distorted OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y2Bi2 tetrahedra, corners with two equivalent O(8)Y2Bi2 tetrahedra, and  an edgeedge with one O(5)CaYBi2 trigonal pyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one Y(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(3), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Y(4), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCaYBi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), and two equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(4), and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded to one Y(1), one Y(3), and two equivalent Bi(1) atoms to form distorted OY2Bi2 tetrahedra that share corners with four equivalent O(2)Y2Bi2 tetrahedra and corners with two equivalent O(5)CaYBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY4(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.579
_cell_length_c   8.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   84.293
_symmetry_Int_Tables_number   1
_cell_volume   357.048
_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  0.486  0.238  0.250  1.0
  Y  Y1  1  0.936  0.964  0.750  1.0
  Y  Y2  1  0.628  0.673  0.250  1.0
  Y  Y3  1  0.553  0.488  0.750  1.0
  Y  Y4  1  0.029  0.012  0.250  1.0
  Bi  Bi5  1  0.005  0.486  0.493  1.0
  Bi  Bi6  1  0.415  0.957  0.570  1.0
  Bi  Bi7  1  0.415  0.957  0.930  1.0
  Bi  Bi8  1  0.005  0.486  0.007  1.0
  O  O9  1  0.700  0.395  0.417  1.0
  O  O10  1  0.095  0.096  0.539  1.0
  O  O11  1  0.861  0.795  0.090  1.0
  O  O12  1  0.351  0.636  0.944  1.0
  O  O13  1  0.351  0.636  0.556  1.0
  O  O14  1  0.861  0.795  0.410  1.0
  O  O15  1  0.095  0.096  0.961  1.0
  O  O16  1  0.700  0.395  0.083  1.0
  O  O17  1  0.136  0.360  0.250  1.0
  O  O18  1  0.658  0.162  0.750  1.0
  O  O19  1  0.356  0.917  0.250  1.0
  O  O20  1  0.824  0.653  0.750  1.0
[/CIF]
.
The crystal structure described by CaY4(BiO3)4 crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(1) atoms. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form distorted YO4 trigonal pyramids that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent Y(4)O6 pentagonal pyramids, and corners with two equivalent Y(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-78°. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the third Y site, Y(3) is bonded to one O(6), one O(8), and two equivalent O(4) atoms to form distorted YO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent Y(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-82°. In the fourth Y site, Y(4) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Y(1)O4 trigonal pyramids, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Y(4)O6 pentagonal pyramid, corners with two equivalent Y(3)O4 tetrahedra, corners with two equivalent Y(1)O4 trigonal pyramids, and  an edgeedge with one Y(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 58-70°. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), 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 T-shaped geometry to one Ca(1), one Y(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Y(1), one Y(4), one Bi(1), and one Bi(2) atom to form distorted OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y2Bi2 tetrahedra, corners with two equivalent O(8)Y2Bi2 tetrahedra, and  an edgeedge with one O(5)CaYBi2 trigonal pyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one Y(4), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(3), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Y(4), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OCaYBi2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), and two equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(4), and two equivalent Bi(2) atoms. In the eighth O site, O(8) is bonded to one Y(1), one Y(3), and two equivalent Bi(1) atoms to form distorted OY2Bi2 tetrahedra that share corners with four equivalent O(2)Y2Bi2 tetrahedra and corners with two equivalent O(5)CaYBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY4(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.579
_cell_length_c   8.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   84.293
_symmetry_Int_Tables_number   1
_cell_volume   357.048
_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  0.486  0.238  0.250  1.0
  Y  Y1  1  0.936  0.964  0.750  1.0
  Y  Y2  1  0.628  0.673  0.250  1.0
  Y  Y3  1  0.553  0.488  0.750  1.0
  Y  Y4  1  0.029  0.012  0.250  1.0
  Bi  Bi5  1  0.005  0.486  0.493  1.0
  Bi  Bi6  1  0.415  0.957  0.570  1.0
  Bi  Bi7  1  0.415  0.957  0.930  1.0
  Bi  Bi8  1  0.005  0.486  0.007  1.0
  O  O9  1  0.700  0.395  0.417  1.0
  O  O10  1  0.095  0.096  0.539  1.0
  O  O11  1  0.861  0.795  0.090  1.0
  O  O12  1  0.351  0.636  0.944  1.0
  O  O13  1  0.351  0.636  0.556  1.0
  O  O14  1  0.861  0.795  0.410  1.0
  O  O15  1  0.095  0.096  0.961  1.0
  O  O16  1  0.700  0.395  0.083  1.0
  O  O17  1  0.136  0.360  0.250  1.0
  O  O18  1  0.658  0.162  0.750  1.0
  O  O19  1  0.356  0.917  0.250  1.0
  O  O20  1  0.824  0.653  0.750  1.0
[/CIF]
.