The material structure described by P2N7H12Br is alpha Niobium phosphide structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrogen bromide atoms and two P2N7H12 clusters. In each P2N7H12 cluster, there are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(6), and one N(7) atom to form corner-sharing PN4 tetrahedra. In the second P site, P(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing PN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one H(1), and one H(10) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one P(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one P(2), one H(4), and one H(5) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one P(2), one H(6), and one H(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one P(2), one H(11), and one H(8) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one P(1), one H(12), and one H(9) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(7) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(1) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(7) atom. is represented by the CIF file [CIF]
data_P2H12BrN7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   7.531
_cell_length_c   11.321
_cell_angle_alpha   108.636
_cell_angle_beta   104.463
_cell_angle_gamma   90.682
_symmetry_Int_Tables_number   1
_cell_volume   474.250
_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
  P  P0  1  0.225  0.311  0.066  1.0
  P  P1  1  0.404  0.641  0.299  1.0
  P  P2  1  0.596  0.359  0.701  1.0
  P  P3  1  0.775  0.689  0.934  1.0
  H  H4  1  0.099  0.743  0.878  1.0
  H  H5  1  0.192  0.155  0.848  1.0
  H  H6  1  0.378  0.356  0.909  1.0
  H  H7  1  0.248  0.477  0.657  1.0
  H  H8  1  0.246  0.262  0.547  1.0
  H  H9  1  0.225  0.644  0.458  1.0
  H  H10  1  0.180  0.428  0.340  1.0
  H  H11  1  0.214  0.911  0.323  1.0
  H  H12  1  0.504  0.831  0.819  1.0
  H  H13  1  0.155  0.667  0.009  1.0
  H  H14  1  0.500  0.045  0.667  1.0
  H  H15  1  0.246  0.025  0.096  1.0
  H  H16  1  0.754  0.975  0.904  1.0
  H  H17  1  0.500  0.955  0.333  1.0
  H  H18  1  0.845  0.333  0.991  1.0
  H  H19  1  0.496  0.169  0.181  1.0
  H  H20  1  0.786  0.089  0.677  1.0
  H  H21  1  0.820  0.572  0.660  1.0
  H  H22  1  0.775  0.356  0.542  1.0
  H  H23  1  0.754  0.738  0.453  1.0
  H  H24  1  0.752  0.523  0.343  1.0
  H  H25  1  0.622  0.644  0.091  1.0
  H  H26  1  0.808  0.845  0.152  1.0
  H  H27  1  0.901  0.257  0.122  1.0
  Br  Br28  1  0.127  0.838  0.673  1.0
  Br  Br29  1  0.873  0.162  0.327  1.0
  N  N30  1  0.053  0.741  0.959  1.0
  N  N31  1  0.245  0.283  0.920  1.0
  N  N32  1  0.320  0.353  0.638  1.0
  N  N33  1  0.223  0.569  0.364  1.0
  N  N34  1  0.373  0.865  0.333  1.0
  N  N35  1  0.647  0.484  0.851  1.0
  N  N36  1  0.675  0.841  0.862  1.0
  N  N37  1  0.325  0.159  0.138  1.0
  N  N38  1  0.353  0.516  0.149  1.0
  N  N39  1  0.627  0.135  0.667  1.0
  N  N40  1  0.777  0.431  0.636  1.0
  N  N41  1  0.680  0.647  0.362  1.0
  N  N42  1  0.755  0.717  0.080  1.0
  N  N43  1  0.947  0.259  0.041  1.0
[/CIF]
.
The material structure described by P2N7H12Br is alpha Niobium phosphide structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrogen bromide atoms and two P2N7H12 clusters. In each P2N7H12 cluster, there are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(6), and one N(7) atom to form corner-sharing PN4 tetrahedra. In the second P site, P(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing PN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one H(1), and one H(10) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one P(1), one H(2), and one H(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one P(2), one H(4), and one H(5) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one P(2), one H(6), and one H(7) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one P(2), one H(11), and one H(8) atom. In the sixth N site, N(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one P(1), one H(12), and one H(9) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(7) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(1) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one N(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one N(7) atom. is represented by the CIF file [CIF]
data_P2H12BrN7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   7.531
_cell_length_c   11.321
_cell_angle_alpha   108.636
_cell_angle_beta   104.463
_cell_angle_gamma   90.682
_symmetry_Int_Tables_number   1
_cell_volume   474.250
_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
  P  P0  1  0.225  0.311  0.066  1.0
  P  P1  1  0.404  0.641  0.299  1.0
  P  P2  1  0.596  0.359  0.701  1.0
  P  P3  1  0.775  0.689  0.934  1.0
  H  H4  1  0.099  0.743  0.878  1.0
  H  H5  1  0.192  0.155  0.848  1.0
  H  H6  1  0.378  0.356  0.909  1.0
  H  H7  1  0.248  0.477  0.657  1.0
  H  H8  1  0.246  0.262  0.547  1.0
  H  H9  1  0.225  0.644  0.458  1.0
  H  H10  1  0.180  0.428  0.340  1.0
  H  H11  1  0.214  0.911  0.323  1.0
  H  H12  1  0.504  0.831  0.819  1.0
  H  H13  1  0.155  0.667  0.009  1.0
  H  H14  1  0.500  0.045  0.667  1.0
  H  H15  1  0.246  0.025  0.096  1.0
  H  H16  1  0.754  0.975  0.904  1.0
  H  H17  1  0.500  0.955  0.333  1.0
  H  H18  1  0.845  0.333  0.991  1.0
  H  H19  1  0.496  0.169  0.181  1.0
  H  H20  1  0.786  0.089  0.677  1.0
  H  H21  1  0.820  0.572  0.660  1.0
  H  H22  1  0.775  0.356  0.542  1.0
  H  H23  1  0.754  0.738  0.453  1.0
  H  H24  1  0.752  0.523  0.343  1.0
  H  H25  1  0.622  0.644  0.091  1.0
  H  H26  1  0.808  0.845  0.152  1.0
  H  H27  1  0.901  0.257  0.122  1.0
  Br  Br28  1  0.127  0.838  0.673  1.0
  Br  Br29  1  0.873  0.162  0.327  1.0
  N  N30  1  0.053  0.741  0.959  1.0
  N  N31  1  0.245  0.283  0.920  1.0
  N  N32  1  0.320  0.353  0.638  1.0
  N  N33  1  0.223  0.569  0.364  1.0
  N  N34  1  0.373  0.865  0.333  1.0
  N  N35  1  0.647  0.484  0.851  1.0
  N  N36  1  0.675  0.841  0.862  1.0
  N  N37  1  0.325  0.159  0.138  1.0
  N  N38  1  0.353  0.516  0.149  1.0
  N  N39  1  0.627  0.135  0.667  1.0
  N  N40  1  0.777  0.431  0.636  1.0
  N  N41  1  0.680  0.647  0.362  1.0
  N  N42  1  0.755  0.717  0.080  1.0
  N  N43  1  0.947  0.259  0.041  1.0
[/CIF]
.