Materials Data on SmHo3Ni4 by Materials Project

Abstract

Ho3SmNi4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.86–2.95 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.86–2.95 Å. In the third Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.86–2.95 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.86–2.96 Å. In the fifth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.85–2.95 Å. In the sixth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.86–2.95 Å. In the seventh Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.85–2.95 Å. In the eighth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.85–2.96 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.88–2.93 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.86–2.94 Å. In the third Sm site, Sm is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.86–2.94 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to five Ho, two equivalent Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ho, four Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.54 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to five Ho, two equivalent Sm, and two equivalent Ni atoms. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to six Ho, one Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.55 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to six Ho, one Sm, and two equivalent Ni atoms. Both Ni–Ho bond lengths are 2.90 Å. Both Ni–Ni bond lengths are 2.55 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to six Ho, one Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.55 Å. In the seventh Ni site, Ni is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.55 Å. In the eighth Ni site, Ni is bonded in a 9-coordinate geometry to five Ho, two equivalent Sm, and two equivalent Ni atoms. In the ninth Ni site, Ni is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ni atoms. In the tenth Ni site, Ni is bonded in a 9-coordinate geometry to five Ho, two equivalent Sm, and two equivalent Ni atoms. In the eleventh Ni site, Ni is bonded in a 9-coordinate geometry to five Ho, two equivalent Sm, and two equivalent Ni atoms. There are one shorter (2.86 Å) and one longer (2.95 Å) Ni–Ho bond lengths.