Materials Data on PrIn2Cl5 by Materials Project
PrIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded to seven Cl1- atoms to form edge-sharing PrCl7 pentagonal bipyramids. There are a spread of Pr–Cl bond distances ranging from 2.80–2.89 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.21–3.34 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pr3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pr3+ and two equivalent In1+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1280944
- Report Number(s):
- mp-650026
- Country of Publication:
- United States
- Language:
- English
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