The crystal structure described by CaCu2(BiO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with three equivalent Bi(1)O4 tetrahedra, corners with three equivalent Bi(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Bi(1)O4 tetrahedra, corners with three equivalent Bi(2)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form BiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-59°. In the second Bi site, Bi(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-70°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(1), and one Bi(1) atom. In the second O site, O(8) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Cu(2), and one Bi(2) atom. In the third O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Cu(1), and one Bi(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one Bi(1) atom. In the fifth O site, O(3) is bonded to two equivalent Ca(1), one Cu(1), and one Bi(2) atom to form edge-sharing OCa2CuBi tetrahedra. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(2), and one Bi(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one Bi(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Bi(2) atom. is represented by the CIF card [CIF]
data_CaCu2(BiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   6.705
_cell_length_c   13.525
_cell_angle_alpha   89.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.789
_cell_formula_units_Z   4
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  0.159  0.120  0.040  1.0
  Ca  Ca1  1  0.841  0.880  0.960  1.0
  Ca  Ca2  1  0.659  0.880  0.460  1.0
  Ca  Ca3  1  0.341  0.120  0.540  1.0
  Cu  Cu4  1  0.191  0.747  0.881  1.0
  Cu  Cu5  1  0.051  0.376  0.617  1.0
  Cu  Cu6  1  0.949  0.624  0.383  1.0
  Cu  Cu7  1  0.809  0.253  0.119  1.0
  Cu  Cu8  1  0.309  0.747  0.381  1.0
  Cu  Cu9  1  0.449  0.376  0.117  1.0
  Cu  Cu10  1  0.691  0.253  0.619  1.0
  Cu  Cu11  1  0.551  0.624  0.883  1.0
  Bi  Bi12  1  0.449  0.100  0.835  1.0
  Bi  Bi13  1  0.051  0.100  0.335  1.0
  Bi  Bi14  1  0.095  0.612  0.143  1.0
  Bi  Bi15  1  0.949  0.900  0.665  1.0
  Bi  Bi16  1  0.905  0.388  0.857  1.0
  Bi  Bi17  1  0.595  0.388  0.357  1.0
  Bi  Bi18  1  0.405  0.612  0.643  1.0
  Bi  Bi19  1  0.551  0.900  0.165  1.0
  O  O20  1  0.258  0.019  0.387  1.0
  O  O21  1  0.014  0.645  0.589  1.0
  O  O22  1  0.581  0.209  0.491  1.0
  O  O23  1  0.081  0.791  0.009  1.0
  O  O24  1  0.242  0.019  0.887  1.0
  O  O25  1  0.742  0.981  0.613  1.0
  O  O26  1  0.101  0.104  0.606  1.0
  O  O27  1  0.877  0.508  0.138  1.0
  O  O28  1  0.623  0.508  0.638  1.0
  O  O29  1  0.875  0.307  0.685  1.0
  O  O30  1  0.375  0.693  0.815  1.0
  O  O31  1  0.123  0.492  0.862  1.0
  O  O32  1  0.899  0.896  0.394  1.0
  O  O33  1  0.521  0.864  0.313  1.0
  O  O34  1  0.248  0.417  0.585  1.0
  O  O35  1  0.252  0.417  0.085  1.0
  O  O36  1  0.021  0.136  0.187  1.0
  O  O37  1  0.377  0.492  0.362  1.0
  O  O38  1  0.479  0.136  0.687  1.0
  O  O39  1  0.419  0.791  0.509  1.0
  O  O40  1  0.486  0.645  0.089  1.0
  O  O41  1  0.125  0.693  0.315  1.0
  O  O42  1  0.758  0.981  0.113  1.0
  O  O43  1  0.399  0.104  0.106  1.0
  O  O44  1  0.919  0.209  0.991  1.0
  O  O45  1  0.748  0.583  0.915  1.0
  O  O46  1  0.986  0.355  0.411  1.0
  O  O47  1  0.514  0.355  0.911  1.0
  O  O48  1  0.601  0.896  0.894  1.0
  O  O49  1  0.752  0.583  0.415  1.0
  O  O50  1  0.625  0.307  0.185  1.0
  O  O51  1  0.979  0.864  0.813  1.0
[/CIF]
.
The crystal structure described by CaCu2(BiO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with three equivalent Bi(1)O4 tetrahedra, corners with three equivalent Bi(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Bi(1)O4 tetrahedra, corners with three equivalent Bi(2)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form BiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-59°. In the second Bi site, Bi(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form distorted BiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-70°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(1), and one Bi(1) atom. In the second O site, O(8) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Cu(2), and one Bi(2) atom. In the third O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Cu(1), and one Bi(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one Bi(1) atom. In the fifth O site, O(3) is bonded to two equivalent Ca(1), one Cu(1), and one Bi(2) atom to form edge-sharing OCa2CuBi tetrahedra. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(2), and one Bi(1) atom. In the seventh O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one Bi(2) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one Bi(2) atom. is represented by the CIF card [CIF]
data_CaCu2(BiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.108
_cell_length_b   6.705
_cell_length_c   13.525
_cell_angle_alpha   89.144
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   825.789
_cell_formula_units_Z   4
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  0.159  0.120  0.040  1.0
  Ca  Ca1  1  0.841  0.880  0.960  1.0
  Ca  Ca2  1  0.659  0.880  0.460  1.0
  Ca  Ca3  1  0.341  0.120  0.540  1.0
  Cu  Cu4  1  0.191  0.747  0.881  1.0
  Cu  Cu5  1  0.051  0.376  0.617  1.0
  Cu  Cu6  1  0.949  0.624  0.383  1.0
  Cu  Cu7  1  0.809  0.253  0.119  1.0
  Cu  Cu8  1  0.309  0.747  0.381  1.0
  Cu  Cu9  1  0.449  0.376  0.117  1.0
  Cu  Cu10  1  0.691  0.253  0.619  1.0
  Cu  Cu11  1  0.551  0.624  0.883  1.0
  Bi  Bi12  1  0.449  0.100  0.835  1.0
  Bi  Bi13  1  0.051  0.100  0.335  1.0
  Bi  Bi14  1  0.095  0.612  0.143  1.0
  Bi  Bi15  1  0.949  0.900  0.665  1.0
  Bi  Bi16  1  0.905  0.388  0.857  1.0
  Bi  Bi17  1  0.595  0.388  0.357  1.0
  Bi  Bi18  1  0.405  0.612  0.643  1.0
  Bi  Bi19  1  0.551  0.900  0.165  1.0
  O  O20  1  0.258  0.019  0.387  1.0
  O  O21  1  0.014  0.645  0.589  1.0
  O  O22  1  0.581  0.209  0.491  1.0
  O  O23  1  0.081  0.791  0.009  1.0
  O  O24  1  0.242  0.019  0.887  1.0
  O  O25  1  0.742  0.981  0.613  1.0
  O  O26  1  0.101  0.104  0.606  1.0
  O  O27  1  0.877  0.508  0.138  1.0
  O  O28  1  0.623  0.508  0.638  1.0
  O  O29  1  0.875  0.307  0.685  1.0
  O  O30  1  0.375  0.693  0.815  1.0
  O  O31  1  0.123  0.492  0.862  1.0
  O  O32  1  0.899  0.896  0.394  1.0
  O  O33  1  0.521  0.864  0.313  1.0
  O  O34  1  0.248  0.417  0.585  1.0
  O  O35  1  0.252  0.417  0.085  1.0
  O  O36  1  0.021  0.136  0.187  1.0
  O  O37  1  0.377  0.492  0.362  1.0
  O  O38  1  0.479  0.136  0.687  1.0
  O  O39  1  0.419  0.791  0.509  1.0
  O  O40  1  0.486  0.645  0.089  1.0
  O  O41  1  0.125  0.693  0.315  1.0
  O  O42  1  0.758  0.981  0.113  1.0
  O  O43  1  0.399  0.104  0.106  1.0
  O  O44  1  0.919  0.209  0.991  1.0
  O  O45  1  0.748  0.583  0.915  1.0
  O  O46  1  0.986  0.355  0.411  1.0
  O  O47  1  0.514  0.355  0.911  1.0
  O  O48  1  0.601  0.896  0.894  1.0
  O  O49  1  0.752  0.583  0.415  1.0
  O  O50  1  0.625  0.307  0.185  1.0
  O  O51  1  0.979  0.864  0.813  1.0
[/CIF]
.