Materials Data on Pr32In3Rh19 by Materials Project

Abstract

Pr32Rh19In3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are thirteen inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to six Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.97–3.62 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 3.03–3.62 Å. The Pr–In bond length is 3.49 Å. In the third Pr site, Pr is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.90–3.24 Å. In the fourth Pr site, Pr is bonded in a 6-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 2.93–3.09 Å. The Pr–In bond length is 3.40 Å. In the fifth Pr site, Pr is bonded in a 6-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 2.93–3.16 Å. The Pr–In bond length is 3.36 Å. In the sixth Pr site, Pr is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.90–3.25 Å. In the seventh Pr site, Pr is bonded in a 3-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 3.00–3.59 Å. The Pr–In bond length is 3.32 Å. In the eighth Pr site, Pr is bonded in a 3-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 3.01–3.60 Å. The Pr–In bond length is 3.33 Å. In the ninth Pr site, Pr is bonded in a 3-coordinate geometry to four Rh and two In atoms. There are a spread of Pr–Rh bond distances ranging from 3.01–3.43 Å. There are one shorter (3.36 Å) and one longer (3.57 Å) Pr–In bond lengths. In the tenth Pr site, Pr is bonded in a 6-coordinate geometry to five Rh and one In atom. There are a spread of Pr–Rh bond distances ranging from 3.00–3.60 Å. The Pr–In bond length is 3.32 Å. In the eleventh Pr site, Pr is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.86 Å) and two longer (2.97 Å) Pr–Rh bond lengths. In the twelfth Pr site, Pr is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.90 Å) and two longer (2.95 Å) Pr–Rh bond lengths. In the thirteenth Pr site, Pr is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Pr–Rh bond distances ranging from 2.87–2.96 Å. There are nine inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr and one In atom. The Rh–In bond length is 3.51 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to eight Pr atoms. In the seventh Rh site, Rh is bonded in a 8-coordinate geometry to eight Pr and one In atom. The Rh–In bond length is 3.46 Å. In the eighth Rh site, Rh is bonded in a 10-coordinate geometry to ten Pr atoms. In the ninth Rh site, Rh is bonded in a 10-coordinate geometry to ten Pr atoms. There are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to eight Pr and two equivalent Rh atoms. In the second In site, In is bonded in a 12-coordinate geometry to ten Pr and two equivalent Rh atoms.