Materials Data on NiBi by Materials Project

Abstract

NiBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to two Ni and six Bi atoms. There are one shorter (2.60 Å) and one longer (2.63 Å) Ni–Ni bond lengths. There are a spread of Ni–Bi bond distances ranging from 2.70–2.81 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to one Ni and six Bi atoms. The Ni–Ni bond length is 2.56 Å. There are a spread of Ni–Bi bond distances ranging from 2.65–2.72 Å. In the third Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Bi atoms. There are two shorter (2.70 Å) and four longer (2.73 Å) Ni–Ni bond lengths. There are a spread of Ni–Bi bond distances ranging from 2.59–2.75 Å. In the fourth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Bi atoms. There are a spread of Ni–Ni bond distances ranging from 2.64–2.74 Å. There are a spread of Ni–Bi bond distances ranging from 2.59–2.76 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Bi atoms. There are one shorter (2.67 Å) and one longer (2.77 Å) Ni–Ni bond lengths. There are a spread of Ni–Bi bond distances ranging from 2.72–2.84 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Bi atoms. The Ni–Ni bond length is 2.63 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.85 Å. In the seventh Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Bi atoms. There are a spread of Ni–Ni bond distances ranging from 2.63–2.73 Å. There are a spread of Ni–Bi bond distances ranging from 2.72–2.86 Å. In the eighth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.73–2.84 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Bi atoms. There are one shorter (2.70 Å) and one longer (2.79 Å) Ni–Ni bond lengths. There are a spread of Ni–Bi bond distances ranging from 2.72–2.85 Å. In the tenth Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Bi atoms. The Ni–Ni bond length is 2.68 Å. There are a spread of Ni–Bi bond distances ranging from 2.70–2.81 Å. In the eleventh Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.73–2.86 Å. In the twelfth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.60–2.73 Å. There are twelve inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Ni atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Ni atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Ni atoms. In the fourth Bi site, Bi is bonded in a 7-coordinate geometry to seven Ni atoms. In the fifth Bi site, Bi is bonded in a 8-coordinate geometry to eight Ni atoms. In the sixth Bi site, Bi is bonded in a 7-coordinate geometry to seven Ni atoms. In the seventh Bi site, Bi is bonded in a 5-coordinate geometry to five Ni atoms. In the eighth Bi site, Bi is bonded in a 5-coordinate geometry to five Ni atoms. In the ninth Bi site, Bi is bonded in a 5-coordinate geometry to five Ni atoms. In the tenth Bi site, Bi is bonded in a 5-coordinate geometry to five Ni atoms. In the eleventh Bi site, Bi is bonded in a 6-coordinate geometry to six Ni atoms. In the twelfth Bi site, Bi is bonded in a 5-coordinate geometry to five Ni atoms.