Ni10ZnP3 crystallizes in the trigonal P-3m1 space group. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent P(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Zn(1) and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Zn(2), one P(1), and two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Zn(1), one Zn(2), and two equivalent P(1) atoms. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Zn(1), one P(2), and two equivalent P(1) atoms. In the sixth Ni site, Ni(6) is bonded to one Zn(1) and three equivalent P(2) atoms to form distorted corner-sharing NiZnP3 tetrahedra. In the seventh Ni site, Ni(7) is bonded to one Zn(1) and three equivalent P(1) atoms to form distorted corner-sharing NiZnP3 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to one Ni(6), one Ni(7), three equivalent Ni(4), three equivalent Ni(5), and six equivalent Ni(2) atoms. In the second Zn site, Zn(2) is bonded in a cuboctahedral geometry to six equivalent Ni(3) and six equivalent Ni(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(3), one Ni(7), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to two equivalent Ni(5), two equivalent Ni(6), and four equivalent Ni(3) atoms.
Ni10ZnP3 crystallizes in the trigonal P-3m1 space group. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent P(1) atoms. The Ni(1)-Ni(1) bond length is 2.27 Å. All Ni(1)-P(1) bond lengths are 2.28 Å. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Zn(1) and two equivalent P(1) atoms. Both Ni(2)-Zn(1) bond lengths are 2.84 Å. Both Ni(2)-P(1) bond lengths are 2.21 Å. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Zn(2), one P(1), and two equivalent P(2) atoms. The Ni(3)-Zn(2) bond length is 2.50 Å. The Ni(3)-P(1) bond length is 2.28 Å. Both Ni(3)-P(2) bond lengths are 2.20 Å. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Zn(1), one Zn(2), and two equivalent P(1) atoms. The Ni(4)-Zn(1) bond length is 2.94 Å. The Ni(4)-Zn(2) bond length is 2.67 Å. Both Ni(4)-P(1) bond lengths are 2.26 Å. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one Zn(1), one P(2), and two equivalent P(1) atoms. The Ni(5)-Zn(1) bond length is 2.58 Å. The Ni(5)-P(2) bond length is 2.25 Å. Both Ni(5)-P(1) bond lengths are 2.26 Å. In the sixth Ni site, Ni(6) is bonded to one Zn(1) and three equivalent P(2) atoms to form distorted corner-sharing NiZnP3 tetrahedra. The Ni(6)-Zn(1) bond length is 2.45 Å. All Ni(6)-P(2) bond lengths are 2.39 Å. In the seventh Ni site, Ni(7) is bonded to one Zn(1) and three equivalent P(1) atoms to form distorted corner-sharing NiZnP3 tetrahedra. The Ni(7)-Zn(1) bond length is 2.37 Å. All Ni(7)-P(1) bond lengths are 2.34 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to one Ni(6), one Ni(7), three equivalent Ni(4), three equivalent Ni(5), and six equivalent Ni(2) atoms. In the second Zn site, Zn(2) is bonded in a cuboctahedral geometry to six equivalent Ni(3) and six equivalent Ni(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(3), one Ni(7), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(5) atoms. In the second P site, P(2) is bonded in a body-centered cubic geometry to two equivalent Ni(5), two equivalent Ni(6), and four equivalent Ni(3) atoms.