The material described by Cd2P3Br crystallizes in the monoclinic Cc space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one P(1), two equivalent P(2), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent Cd(2)P3Br2 trigonal bipyramids, corners with four equivalent Cd(1)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(2)P3Br2 trigonal bipyramid. In the second Cd site, Cd(2) is bonded to one P(1), two equivalent P(3), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent Cd(1)P3Br2 trigonal bipyramids, corners with four equivalent Cd(2)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(1)P3Br2 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cd(1), one Cd(2), one P(2), and one P(3) atom to form distorted PCd2P2 tetrahedra that share corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with two equivalent Cd(1)P3Br2 trigonal bipyramids, and corners with two equivalent Cd(2)P3Br2 trigonal bipyramids. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(1), and one P(3) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(1)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(2)P3Br2 trigonal bipyramids. In the third P site, P(3) is bonded to two equivalent Cd(2), one P(1), and one P(2) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(2)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(1)P3Br2 trigonal bipyramids. Br(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms. is represented by the CIF file [CIF]
data_Cd2P3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.124
_cell_length_c   7.581
_cell_angle_alpha   96.737
_cell_angle_beta   96.737
_cell_angle_gamma   96.650
_symmetry_Int_Tables_number   1
_cell_volume   277.927
_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
  Cd  Cd0  1  0.649  0.353  0.423  1.0
  Cd  Cd1  1  0.353  0.649  0.923  1.0
  Cd  Cd2  1  0.143  0.848  0.492  1.0
  Cd  Cd3  1  0.848  0.143  0.992  1.0
  P  P4  1  0.943  0.553  0.957  1.0
  P  P5  1  0.553  0.943  0.457  1.0
  P  P6  1  0.681  0.589  0.743  1.0
  P  P7  1  0.589  0.681  0.243  1.0
  P  P8  1  0.815  0.908  0.671  1.0
  P  P9  1  0.908  0.815  0.171  1.0
  Br  Br10  1  0.122  0.374  0.454  1.0
  Br  Br11  1  0.374  0.122  0.954  1.0
[/CIF]
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The material described by Cd2P3Br crystallizes in the monoclinic Cc space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one P(1), two equivalent P(2), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent Cd(2)P3Br2 trigonal bipyramids, corners with four equivalent Cd(1)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(2)P3Br2 trigonal bipyramid. In the second Cd site, Cd(2) is bonded to one P(1), two equivalent P(3), and two equivalent Br(1) atoms to form distorted CdP3Br2 trigonal bipyramids that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(1)Cd2P2 tetrahedra, corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent Cd(1)P3Br2 trigonal bipyramids, corners with four equivalent Cd(2)P3Br2 trigonal bipyramids, and  an edgeedge with one Cd(1)P3Br2 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Cd(1), one Cd(2), one P(2), and one P(3) atom to form distorted PCd2P2 tetrahedra that share corners with three equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(3)Cd2P2 tetrahedra, corners with two equivalent Cd(1)P3Br2 trigonal bipyramids, and corners with two equivalent Cd(2)P3Br2 trigonal bipyramids. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(1), and one P(3) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(3)Cd2P2 tetrahedra, corners with two equivalent P(2)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(1)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(2)P3Br2 trigonal bipyramids. In the third P site, P(3) is bonded to two equivalent Cd(2), one P(1), and one P(2) atom to form distorted PCd2P2 tetrahedra that share  a cornercorner with one P(2)Cd2P2 tetrahedra, corners with two equivalent P(3)Cd2P2 tetrahedra, corners with three equivalent P(1)Cd2P2 tetrahedra,  a cornercorner with one Cd(2)P3Br2 trigonal bipyramid, and corners with three equivalent Cd(1)P3Br2 trigonal bipyramids. Br(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1) and two equivalent Cd(2) atoms. is represented by the CIF file [CIF]
data_Cd2P3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.124
_cell_length_c   7.581
_cell_angle_alpha   96.737
_cell_angle_beta   96.737
_cell_angle_gamma   96.650
_symmetry_Int_Tables_number   1
_cell_volume   277.927
_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
  Cd  Cd0  1  0.649  0.353  0.423  1.0
  Cd  Cd1  1  0.353  0.649  0.923  1.0
  Cd  Cd2  1  0.143  0.848  0.492  1.0
  Cd  Cd3  1  0.848  0.143  0.992  1.0
  P  P4  1  0.943  0.553  0.957  1.0
  P  P5  1  0.553  0.943  0.457  1.0
  P  P6  1  0.681  0.589  0.743  1.0
  P  P7  1  0.589  0.681  0.243  1.0
  P  P8  1  0.815  0.908  0.671  1.0
  P  P9  1  0.908  0.815  0.171  1.0
  Br  Br10  1  0.122  0.374  0.454  1.0
  Br  Br11  1  0.374  0.122  0.954  1.0
[/CIF]
.