Materials Data on KNd2Br5 by Materials Project
KNd2Br5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.16–3.73 Å. There are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.95–3.82 Å. In the second Nd2+ site, Nd2+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Nd–Br bond distances ranging from 3.01–3.35 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Nd2+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and three Nd2+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Nd2+ atoms. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Nd2+ atoms. In the fifth Br1- site, Br1- is bonded in a 4-coordinate geometry to four Nd2+ 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:
- 1672441
- Report Number(s):
- mp-1211758
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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