Ni3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent H(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. H(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms.
Ni3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent H(1) atoms. All Ni(1)-Ni(2) bond lengths are 2.31 Å. All Ni(1)-H(1) bond lengths are 2.31 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(1) atoms. H(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms.