The structure described by CuBi(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(4) atoms. Bi(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. is represented by the CIF card [CIF]
data_CuBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   5.400
_cell_length_c   10.356
_cell_angle_alpha   83.722
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.471
_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
  Cu  Cu0  1  0.250  0.843  0.684  1.0
  Cu  Cu1  1  0.750  0.157  0.316  1.0
  Bi  Bi2  1  0.750  0.445  0.787  1.0
  Bi  Bi3  1  0.250  0.555  0.213  1.0
  P  P4  1  0.250  0.363  0.888  1.0
  P  P5  1  0.750  0.945  0.595  1.0
  P  P6  1  0.250  0.055  0.405  1.0
  P  P7  1  0.750  0.637  0.112  1.0
  O  O8  1  0.750  0.675  0.962  1.0
  O  O9  1  0.250  0.652  0.848  1.0
  O  O10  1  0.055  0.236  0.830  1.0
  O  O11  1  0.445  0.236  0.830  1.0
  O  O12  1  0.559  0.796  0.669  1.0
  O  O13  1  0.941  0.796  0.669  1.0
  O  O14  1  0.750  0.225  0.604  1.0
  O  O15  1  0.250  0.105  0.550  1.0
  O  O16  1  0.750  0.895  0.450  1.0
  O  O17  1  0.250  0.775  0.396  1.0
  O  O18  1  0.059  0.204  0.331  1.0
  O  O19  1  0.441  0.204  0.331  1.0
  O  O20  1  0.555  0.764  0.170  1.0
  O  O21  1  0.945  0.764  0.170  1.0
  O  O22  1  0.750  0.348  0.152  1.0
  O  O23  1  0.250  0.325  0.038  1.0
[/CIF]
.
The structure described by CuBi(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(6), and two equivalent O(4) atoms. Bi(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Bi(1)O6 octahedra and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Bi(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. is represented by the CIF card [CIF]
data_CuBi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   5.400
_cell_length_c   10.356
_cell_angle_alpha   83.722
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.471
_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
  Cu  Cu0  1  0.250  0.843  0.684  1.0
  Cu  Cu1  1  0.750  0.157  0.316  1.0
  Bi  Bi2  1  0.750  0.445  0.787  1.0
  Bi  Bi3  1  0.250  0.555  0.213  1.0
  P  P4  1  0.250  0.363  0.888  1.0
  P  P5  1  0.750  0.945  0.595  1.0
  P  P6  1  0.250  0.055  0.405  1.0
  P  P7  1  0.750  0.637  0.112  1.0
  O  O8  1  0.750  0.675  0.962  1.0
  O  O9  1  0.250  0.652  0.848  1.0
  O  O10  1  0.055  0.236  0.830  1.0
  O  O11  1  0.445  0.236  0.830  1.0
  O  O12  1  0.559  0.796  0.669  1.0
  O  O13  1  0.941  0.796  0.669  1.0
  O  O14  1  0.750  0.225  0.604  1.0
  O  O15  1  0.250  0.105  0.550  1.0
  O  O16  1  0.750  0.895  0.450  1.0
  O  O17  1  0.250  0.775  0.396  1.0
  O  O18  1  0.059  0.204  0.331  1.0
  O  O19  1  0.441  0.204  0.331  1.0
  O  O20  1  0.555  0.764  0.170  1.0
  O  O21  1  0.945  0.764  0.170  1.0
  O  O22  1  0.750  0.348  0.152  1.0
  O  O23  1  0.250  0.325  0.038  1.0
[/CIF]
.