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Title: Materials Data on Sr(In4Rh)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1197151· OSTI ID:1197151

Sr(RhIn4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Sr–In bond distances ranging from 3.45–3.83 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.69–2.98 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.65–2.93 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Rh, and eight In atoms. There are a spread of In–In bond distances ranging from 3.14–3.36 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. The In–In bond length is 2.95 Å. In the third In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. In the fourth In site, In is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and one In atom. In the sixth In site, In is bonded in a 1-coordinate geometry to three Rh atoms. In the seventh In site, In is bonded in a 2-coordinate geometry to two equivalent Sr, two equivalent Rh, and three In atoms. In the eighth In site, In is bonded in a distorted linear geometry to two equivalent Sr, two Rh, and two equivalent In atoms. In the ninth In site, In is bonded in a distorted linear geometry to two equivalent Sr, two equivalent Rh, and four equivalent In atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1197151
Report Number(s):
mp-21756
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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