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Materials Data on KPO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1731538· OSTI ID:1731538
KPO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KPO3 sheets oriented in the (1, 0, 0) direction. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.83 Å. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.49 Å) and one longer (1.50 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one P5+ atom.
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:
1731538
Report Number(s):
mp-1223439
Country of Publication:
United States
Language:
English

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