The structure described by Ca2YBiO5 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted CaO5 square pyramids that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Ca(2)O5 square pyramid, corners with four equivalent Ca(1)O5 square pyramids, corners with four equivalent Y(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-85°. In the second Ca site, Ca(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO5 square pyramids that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Ca(1)O5 square pyramid, corners with four equivalent Ca(2)O5 square pyramids, corners with four equivalent Y(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-83°. Y(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted YO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ca(1)O5 square pyramids, corners with four equivalent Ca(2)O5 square pyramids, and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-67°. Bi(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent Ca(1)O5 square pyramids, corners with two equivalent Ca(2)O5 square pyramids, corners with two equivalent Y(1)O4 tetrahedra, edges with two equivalent Ca(1)O5 square pyramids, and edges with two equivalent Ca(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 47-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with four equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(3)Ca2YBi tetrahedra, corners with two equivalent O(4)Ca2Bi2 trigonal pyramids, and corners with two equivalent O(5)Ca2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Bi(1) atom to form distorted OCa2YBi tetrahedra that share corners with two equivalent O(2)Ca2YBi tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(4)Ca2Bi2 trigonal pyramids, corners with four equivalent O(5)Ca2Bi2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Bi2 trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Ca(2), one Y(1), and one Bi(1) atom to form distorted OCa2YBi tetrahedra that share corners with two equivalent O(2)Ca2YBi tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with four equivalent O(4)Ca2Bi2 trigonal pyramids, and  an edgeedge with one O(4)Ca2Bi2 trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Ca(2) and two equivalent Bi(1) atoms to form distorted OCa2Bi2 trigonal pyramids that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(5)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca2YBi tetrahedra, and edges with two equivalent O(4)Ca2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form distorted OCa2Bi2 trigonal pyramids that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(4)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(2)Ca2YBi tetrahedra, and edges with two equivalent O(5)Ca2Bi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2YBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.931
_cell_length_b   8.931
_cell_length_c   6.099
_cell_angle_alpha   70.663
_cell_angle_beta   70.663
_cell_angle_gamma   39.646
_symmetry_Int_Tables_number   1
_cell_volume   290.542
_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  0.376  0.870  0.084  1.0
  Ca  Ca1  1  0.123  0.616  0.337  1.0
  Ca  Ca2  1  0.616  0.123  0.837  1.0
  Ca  Ca3  1  0.870  0.376  0.584  1.0
  Y  Y4  1  0.726  0.263  0.190  1.0
  Y  Y5  1  0.263  0.726  0.690  1.0
  Bi  Bi6  1  0.497  0.998  0.502  1.0
  Bi  Bi7  1  0.998  0.497  0.002  1.0
  O  O8  1  0.603  0.393  0.830  1.0
  O  O9  1  0.393  0.603  0.330  1.0
  O  O10  1  0.199  0.001  0.748  1.0
  O  O11  1  0.793  0.989  0.457  1.0
  O  O12  1  0.001  0.199  0.248  1.0
  O  O13  1  0.989  0.793  0.957  1.0
  O  O14  1  0.262  0.355  0.687  1.0
  O  O15  1  0.728  0.650  0.808  1.0
  O  O16  1  0.650  0.728  0.308  1.0
  O  O17  1  0.355  0.262  0.187  1.0
[/CIF]
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The structure described by Ca2YBiO5 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted CaO5 square pyramids that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Ca(2)O5 square pyramid, corners with four equivalent Ca(1)O5 square pyramids, corners with four equivalent Y(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 67-85°. In the second Ca site, Ca(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO5 square pyramids that share corners with two equivalent Bi(1)O6 octahedra,  a cornercorner with one Ca(1)O5 square pyramid, corners with four equivalent Ca(2)O5 square pyramids, corners with four equivalent Y(1)O4 tetrahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-83°. Y(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted YO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ca(1)O5 square pyramids, corners with four equivalent Ca(2)O5 square pyramids, and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-67°. Bi(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with two equivalent Ca(1)O5 square pyramids, corners with two equivalent Ca(2)O5 square pyramids, corners with two equivalent Y(1)O4 tetrahedra, edges with two equivalent Ca(1)O5 square pyramids, and edges with two equivalent Ca(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 47-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with four equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(3)Ca2YBi tetrahedra, corners with two equivalent O(4)Ca2Bi2 trigonal pyramids, and corners with two equivalent O(5)Ca2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one Bi(1) atom to form distorted OCa2YBi tetrahedra that share corners with two equivalent O(2)Ca2YBi tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(4)Ca2Bi2 trigonal pyramids, corners with four equivalent O(5)Ca2Bi2 trigonal pyramids, and  an edgeedge with one O(5)Ca2Bi2 trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Ca(2), one Y(1), and one Bi(1) atom to form distorted OCa2YBi tetrahedra that share corners with two equivalent O(2)Ca2YBi tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(5)Ca2Bi2 trigonal pyramids, corners with four equivalent O(4)Ca2Bi2 trigonal pyramids, and  an edgeedge with one O(4)Ca2Bi2 trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Ca(2) and two equivalent Bi(1) atoms to form distorted OCa2Bi2 trigonal pyramids that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(5)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(3)Ca2YBi tetrahedra, and edges with two equivalent O(4)Ca2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ca(1) and two equivalent Bi(1) atoms to form distorted OCa2Bi2 trigonal pyramids that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(3)Ca2YBi tetrahedra, corners with four equivalent O(2)Ca2YBi tetrahedra, corners with four equivalent O(4)Ca2Bi2 trigonal pyramids,  an edgeedge with one O(2)Ca2YBi tetrahedra, and edges with two equivalent O(5)Ca2Bi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2YBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.931
_cell_length_b   8.931
_cell_length_c   6.099
_cell_angle_alpha   70.663
_cell_angle_beta   70.663
_cell_angle_gamma   39.646
_symmetry_Int_Tables_number   1
_cell_volume   290.542
_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  0.376  0.870  0.084  1.0
  Ca  Ca1  1  0.123  0.616  0.337  1.0
  Ca  Ca2  1  0.616  0.123  0.837  1.0
  Ca  Ca3  1  0.870  0.376  0.584  1.0
  Y  Y4  1  0.726  0.263  0.190  1.0
  Y  Y5  1  0.263  0.726  0.690  1.0
  Bi  Bi6  1  0.497  0.998  0.502  1.0
  Bi  Bi7  1  0.998  0.497  0.002  1.0
  O  O8  1  0.603  0.393  0.830  1.0
  O  O9  1  0.393  0.603  0.330  1.0
  O  O10  1  0.199  0.001  0.748  1.0
  O  O11  1  0.793  0.989  0.457  1.0
  O  O12  1  0.001  0.199  0.248  1.0
  O  O13  1  0.989  0.793  0.957  1.0
  O  O14  1  0.262  0.355  0.687  1.0
  O  O15  1  0.728  0.650  0.808  1.0
  O  O16  1  0.650  0.728  0.308  1.0
  O  O17  1  0.355  0.262  0.187  1.0
[/CIF]
.