The material described by PNBr2 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PNBr2 clusters. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent N(2), one Br(1), and one Br(2) atom to form corner-sharing PBr2N2 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(2), one Br(3), and one Br(4) atom to form corner-sharing PBr2N2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one P(2) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF card [CIF]
data_PBr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   14.310
_cell_length_c   15.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1530.825
_cell_formula_units_Z   12
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
  P  P0  1  0.580  0.750  0.944  1.0
  P  P1  1  0.080  0.250  0.556  1.0
  P  P2  1  0.420  0.250  0.056  1.0
  P  P3  1  0.920  0.750  0.444  1.0
  P  P4  1  0.443  0.847  0.089  1.0
  P  P5  1  0.943  0.153  0.411  1.0
  P  P6  1  0.557  0.347  0.911  1.0
  P  P7  1  0.057  0.653  0.589  1.0
  P  P8  1  0.557  0.153  0.911  1.0
  P  P9  1  0.057  0.847  0.589  1.0
  P  P10  1  0.443  0.653  0.089  1.0
  P  P11  1  0.943  0.347  0.411  1.0
  Br  Br12  1  0.417  0.750  0.820  1.0
  Br  Br13  1  0.917  0.250  0.680  1.0
  Br  Br14  1  0.583  0.250  0.180  1.0
  Br  Br15  1  0.083  0.750  0.320  1.0
  Br  Br16  1  0.876  0.750  0.898  1.0
  Br  Br17  1  0.376  0.250  0.602  1.0
  Br  Br18  1  0.124  0.250  0.102  1.0
  Br  Br19  1  0.624  0.750  0.398  1.0
  Br  Br20  1  0.168  0.922  0.081  1.0
  Br  Br21  1  0.668  0.078  0.419  1.0
  Br  Br22  1  0.832  0.422  0.919  1.0
  Br  Br23  1  0.332  0.578  0.581  1.0
  Br  Br24  1  0.832  0.078  0.919  1.0
  Br  Br25  1  0.332  0.922  0.581  1.0
  Br  Br26  1  0.168  0.578  0.081  1.0
  Br  Br27  1  0.668  0.422  0.419  1.0
  Br  Br28  1  0.611  0.938  0.176  1.0
  Br  Br29  1  0.111  0.062  0.324  1.0
  Br  Br30  1  0.389  0.438  0.824  1.0
  Br  Br31  1  0.889  0.562  0.676  1.0
  Br  Br32  1  0.389  0.062  0.824  1.0
  Br  Br33  1  0.889  0.938  0.676  1.0
  Br  Br34  1  0.611  0.562  0.176  1.0
  Br  Br35  1  0.111  0.438  0.324  1.0
  N  N36  1  0.408  0.750  0.139  1.0
  N  N37  1  0.908  0.250  0.361  1.0
  N  N38  1  0.592  0.250  0.861  1.0
  N  N39  1  0.092  0.750  0.639  1.0
  N  N40  1  0.540  0.846  0.995  1.0
  N  N41  1  0.040  0.154  0.505  1.0
  N  N42  1  0.460  0.346  0.005  1.0
  N  N43  1  0.960  0.654  0.495  1.0
  N  N44  1  0.460  0.154  0.005  1.0
  N  N45  1  0.960  0.846  0.495  1.0
  N  N46  1  0.540  0.654  0.995  1.0
  N  N47  1  0.040  0.346  0.505  1.0
[/CIF]
.
The material described by PNBr2 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PNBr2 clusters. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent N(2), one Br(1), and one Br(2) atom to form corner-sharing PBr2N2 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(2), one Br(3), and one Br(4) atom to form corner-sharing PBr2N2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one P(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one P(2) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one P(2) atom. is represented by the CIF card [CIF]
data_PBr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.016
_cell_length_b   14.310
_cell_length_c   15.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1530.825
_cell_formula_units_Z   12
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
  P  P0  1  0.580  0.750  0.944  1.0
  P  P1  1  0.080  0.250  0.556  1.0
  P  P2  1  0.420  0.250  0.056  1.0
  P  P3  1  0.920  0.750  0.444  1.0
  P  P4  1  0.443  0.847  0.089  1.0
  P  P5  1  0.943  0.153  0.411  1.0
  P  P6  1  0.557  0.347  0.911  1.0
  P  P7  1  0.057  0.653  0.589  1.0
  P  P8  1  0.557  0.153  0.911  1.0
  P  P9  1  0.057  0.847  0.589  1.0
  P  P10  1  0.443  0.653  0.089  1.0
  P  P11  1  0.943  0.347  0.411  1.0
  Br  Br12  1  0.417  0.750  0.820  1.0
  Br  Br13  1  0.917  0.250  0.680  1.0
  Br  Br14  1  0.583  0.250  0.180  1.0
  Br  Br15  1  0.083  0.750  0.320  1.0
  Br  Br16  1  0.876  0.750  0.898  1.0
  Br  Br17  1  0.376  0.250  0.602  1.0
  Br  Br18  1  0.124  0.250  0.102  1.0
  Br  Br19  1  0.624  0.750  0.398  1.0
  Br  Br20  1  0.168  0.922  0.081  1.0
  Br  Br21  1  0.668  0.078  0.419  1.0
  Br  Br22  1  0.832  0.422  0.919  1.0
  Br  Br23  1  0.332  0.578  0.581  1.0
  Br  Br24  1  0.832  0.078  0.919  1.0
  Br  Br25  1  0.332  0.922  0.581  1.0
  Br  Br26  1  0.168  0.578  0.081  1.0
  Br  Br27  1  0.668  0.422  0.419  1.0
  Br  Br28  1  0.611  0.938  0.176  1.0
  Br  Br29  1  0.111  0.062  0.324  1.0
  Br  Br30  1  0.389  0.438  0.824  1.0
  Br  Br31  1  0.889  0.562  0.676  1.0
  Br  Br32  1  0.389  0.062  0.824  1.0
  Br  Br33  1  0.889  0.938  0.676  1.0
  Br  Br34  1  0.611  0.562  0.176  1.0
  Br  Br35  1  0.111  0.438  0.324  1.0
  N  N36  1  0.408  0.750  0.139  1.0
  N  N37  1  0.908  0.250  0.361  1.0
  N  N38  1  0.592  0.250  0.861  1.0
  N  N39  1  0.092  0.750  0.639  1.0
  N  N40  1  0.540  0.846  0.995  1.0
  N  N41  1  0.040  0.154  0.505  1.0
  N  N42  1  0.460  0.346  0.005  1.0
  N  N43  1  0.960  0.654  0.495  1.0
  N  N44  1  0.460  0.154  0.005  1.0
  N  N45  1  0.960  0.846  0.495  1.0
  N  N46  1  0.540  0.654  0.995  1.0
  N  N47  1  0.040  0.346  0.505  1.0
[/CIF]
.