Materials Data on Pr2Br5 by Materials Project
Pr2Br5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pr2Br5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to seven Br atoms to form a mixture of distorted face and edge-sharing PrBr7 pentagonal bipyramids. There are a spread of Pr–Br bond distances ranging from 3.02–3.14 Å. In the second Pr site, Pr is bonded to seven Br atoms to form distorted edge-sharing PrBr7 pentagonal bipyramids. There are a spread of Pr–Br bond distances ranging from 2.96–3.17 Å. There are five inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two equivalent Pr atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three equivalent Pr atoms. In the third Br site, Br is bonded in a trigonal non-coplanar geometry to three equivalent Pr atoms. In the fourth Br site, Br is bonded in a distorted T-shaped geometry to three Pr atoms. In the fifth Br site, Br is bonded in a distorted T-shaped geometry to three Pr 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:
- 1199289
- Report Number(s):
- mp-23169
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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