Nb2P5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent P(4), three equivalent P(1), and three equivalent P(2) atoms. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(2), and three equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the third P site, P(3) is bonded to one Nb(2), one P(4), and two equivalent P(3) atoms to form distorted PNbP3 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fourth P site, P(4) is bonded to two equivalent Nb(1), one P(3), and one P(5) atom to form distorted PNb2P2 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to three equivalent Nb(2), one P(4), and two equivalent P(5) atoms.
Nb2P5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent P(4), three equivalent P(1), and three equivalent P(2) atoms. Both Nb(1)-P(4) bond lengths are 2.52 Å. There are two shorter (2.64 Å) and one longer (2.68 Å) Nb(1)-P(1) bond length. There are two shorter (2.65 Å) and one longer (2.66 Å) Nb(1)-P(2) bond length. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(2), and three equivalent P(5) atoms. The Nb(2)-P(3) bond length is 2.54 Å. Both Nb(2)-P(1) bond lengths are 2.69 Å. Both Nb(2)-P(2) bond lengths are 2.63 Å. There is one shorter (2.57 Å) and two longer (2.62 Å) Nb(2)-P(5) bond lengths. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent Nb(2) and three equivalent Nb(1) atoms. In the third P site, P(3) is bonded to one Nb(2), one P(4), and two equivalent P(3) atoms to form distorted PNbP3 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. The P(3)-P(4) bond length is 2.15 Å. Both P(3)-P(3) bond lengths are 2.24 Å. In the fourth P site, P(4) is bonded to two equivalent Nb(1), one P(3), and one P(5) atom to form distorted PNb2P2 tetrahedra that share corners with two equivalent P(4)Nb2P2 tetrahedra and corners with two equivalent P(3)NbP3 tetrahedra. The P(4)-P(5) bond length is 2.19 Å. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to three equivalent Nb(2), one P(4), and two equivalent P(5) atoms. Both P(5)-P(5) bond lengths are 2.67 Å.