Materials Data on K4UO5 by Materials Project
K4UO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with two equivalent UO6 octahedra, edges with three equivalent UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 4–25°. There are a spread of K–O bond distances ranging from 2.67–3.14 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share a cornercorner with one KO6 octahedra, corners with three equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with five KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–24°. There are a spread of K–O bond distances ranging from 2.67–3.22 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.37 Å. In the fifth K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with four KO6 octahedra, edges with four equivalent UO6 octahedra, and edges with six KO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are two shorter (2.70 Å) and four longer (2.76 Å) K–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with five KO6 octahedra, an edgeedge with one UO6 octahedra, and edges with seven KO6 octahedra. The corner-sharing octahedra tilt angles range from 2–17°. There are a spread of U–O bond distances ranging from 2.04–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one U6+ atom.
- 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:
- 1312717
- Report Number(s):
- mp-8794
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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