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.
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. The P(1)-N(1) bond length is 1.67 Å. The P(1)-N(2) bond length is 1.64 Å. The P(1)-N(6) bond length is 1.60 Å. The P(1)-N(7) bond length is 1.64 Å. 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. The P(2)-N(3) bond length is 1.65 Å. The P(2)-N(4) bond length is 1.64 Å. The P(2)-N(5) bond length is 1.63 Å. The P(2)-N(6) bond length is 1.61 Å. 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. The N(1)-H(1) bond length is 1.03 Å. The N(1)-H(10) bond length is 1.02 Å. 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. The N(2)-H(2) bond length is 1.03 Å. The N(2)-H(3) bond length is 1.02 Å. 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. The N(3)-H(4) bond length is 1.02 Å. The N(3)-H(5) bond length is 1.02 Å. 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. The N(4)-H(6) bond length is 1.03 Å. The N(4)-H(7) bond length is 1.02 Å. 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. The N(5)-H(11) bond length is 1.02 Å. The N(5)-H(8) bond length is 1.02 Å. 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. The N(7)-H(12) bond length is 1.02 Å. The N(7)-H(9) bond length is 1.03 Å. 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.