The crystal structure described by Cd3BPO7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the second Cd site, Cd(2) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the third Cd site, Cd(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-90°. B(1) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-63°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cd(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Cd3BPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.981
_cell_length_c   13.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.491
_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
  Cd  Cd0  1  0.998  0.904  0.137  1.0
  Cd  Cd1  1  0.498  0.096  0.863  1.0
  Cd  Cd2  1  0.498  0.404  0.363  1.0
  Cd  Cd3  1  0.998  0.596  0.637  1.0
  Cd  Cd4  1  0.014  0.911  0.402  1.0
  Cd  Cd5  1  0.514  0.089  0.598  1.0
  Cd  Cd6  1  0.514  0.411  0.098  1.0
  Cd  Cd7  1  0.014  0.589  0.902  1.0
  Cd  Cd8  1  0.000  0.239  0.247  1.0
  Cd  Cd9  1  0.500  0.761  0.753  1.0
  Cd  Cd10  1  0.500  0.739  0.253  1.0
  Cd  Cd11  1  0.000  0.261  0.747  1.0
  B  B12  1  0.999  0.569  0.227  1.0
  B  B13  1  0.499  0.431  0.773  1.0
  B  B14  1  0.499  0.069  0.273  1.0
  B  B15  1  0.999  0.931  0.727  1.0
  P  P16  1  0.023  0.229  0.996  1.0
  P  P17  1  0.523  0.771  0.004  1.0
  P  P18  1  0.523  0.729  0.504  1.0
  P  P19  1  0.023  0.271  0.496  1.0
  O  O20  1  0.325  0.245  0.991  1.0
  O  O21  1  0.825  0.755  0.009  1.0
  O  O22  1  0.825  0.745  0.509  1.0
  O  O23  1  0.325  0.255  0.491  1.0
  O  O24  1  0.940  0.140  0.090  1.0
  O  O25  1  0.440  0.860  0.910  1.0
  O  O26  1  0.440  0.640  0.410  1.0
  O  O27  1  0.940  0.360  0.590  1.0
  O  O28  1  0.897  0.387  0.004  1.0
  O  O29  1  0.397  0.613  0.996  1.0
  O  O30  1  0.397  0.887  0.496  1.0
  O  O31  1  0.897  0.113  0.504  1.0
  O  O32  1  0.434  0.855  0.098  1.0
  O  O33  1  0.934  0.145  0.902  1.0
  O  O34  1  0.934  0.355  0.402  1.0
  O  O35  1  0.434  0.645  0.598  1.0
  O  O36  1  0.063  0.717  0.247  1.0
  O  O37  1  0.563  0.283  0.753  1.0
  O  O38  1  0.563  0.217  0.253  1.0
  O  O39  1  0.063  0.783  0.747  1.0
  O  O40  1  0.189  0.460  0.218  1.0
  O  O41  1  0.689  0.540  0.782  1.0
  O  O42  1  0.689  0.960  0.282  1.0
  O  O43  1  0.189  0.040  0.718  1.0
  O  O44  1  0.237  0.033  0.280  1.0
  O  O45  1  0.737  0.967  0.720  1.0
  O  O46  1  0.737  0.533  0.220  1.0
  O  O47  1  0.237  0.467  0.780  1.0
[/CIF]
.
The crystal structure described by Cd3BPO7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the second Cd site, Cd(2) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with three equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the third Cd site, Cd(3) is bonded to one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CdO5 trigonal bipyramids that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 75-90°. B(1) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(2)O6 octahedra and corners with two equivalent Cd(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 56-63°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the third O site, O(6) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Cd(3), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(3), and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Cd(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Cd3BPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.981
_cell_length_c   13.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.491
_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
  Cd  Cd0  1  0.998  0.904  0.137  1.0
  Cd  Cd1  1  0.498  0.096  0.863  1.0
  Cd  Cd2  1  0.498  0.404  0.363  1.0
  Cd  Cd3  1  0.998  0.596  0.637  1.0
  Cd  Cd4  1  0.014  0.911  0.402  1.0
  Cd  Cd5  1  0.514  0.089  0.598  1.0
  Cd  Cd6  1  0.514  0.411  0.098  1.0
  Cd  Cd7  1  0.014  0.589  0.902  1.0
  Cd  Cd8  1  0.000  0.239  0.247  1.0
  Cd  Cd9  1  0.500  0.761  0.753  1.0
  Cd  Cd10  1  0.500  0.739  0.253  1.0
  Cd  Cd11  1  0.000  0.261  0.747  1.0
  B  B12  1  0.999  0.569  0.227  1.0
  B  B13  1  0.499  0.431  0.773  1.0
  B  B14  1  0.499  0.069  0.273  1.0
  B  B15  1  0.999  0.931  0.727  1.0
  P  P16  1  0.023  0.229  0.996  1.0
  P  P17  1  0.523  0.771  0.004  1.0
  P  P18  1  0.523  0.729  0.504  1.0
  P  P19  1  0.023  0.271  0.496  1.0
  O  O20  1  0.325  0.245  0.991  1.0
  O  O21  1  0.825  0.755  0.009  1.0
  O  O22  1  0.825  0.745  0.509  1.0
  O  O23  1  0.325  0.255  0.491  1.0
  O  O24  1  0.940  0.140  0.090  1.0
  O  O25  1  0.440  0.860  0.910  1.0
  O  O26  1  0.440  0.640  0.410  1.0
  O  O27  1  0.940  0.360  0.590  1.0
  O  O28  1  0.897  0.387  0.004  1.0
  O  O29  1  0.397  0.613  0.996  1.0
  O  O30  1  0.397  0.887  0.496  1.0
  O  O31  1  0.897  0.113  0.504  1.0
  O  O32  1  0.434  0.855  0.098  1.0
  O  O33  1  0.934  0.145  0.902  1.0
  O  O34  1  0.934  0.355  0.402  1.0
  O  O35  1  0.434  0.645  0.598  1.0
  O  O36  1  0.063  0.717  0.247  1.0
  O  O37  1  0.563  0.283  0.753  1.0
  O  O38  1  0.563  0.217  0.253  1.0
  O  O39  1  0.063  0.783  0.747  1.0
  O  O40  1  0.189  0.460  0.218  1.0
  O  O41  1  0.689  0.540  0.782  1.0
  O  O42  1  0.689  0.960  0.282  1.0
  O  O43  1  0.189  0.040  0.718  1.0
  O  O44  1  0.237  0.033  0.280  1.0
  O  O45  1  0.737  0.967  0.720  1.0
  O  O46  1  0.737  0.533  0.220  1.0
  O  O47  1  0.237  0.467  0.780  1.0
[/CIF]
.