Materials Data on Cs2LaN5O17 by Materials Project
Cs2LaN5O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded to eight O atoms to form distorted CsO8 hexagonal bipyramids that share corners with two equivalent LaO12 cuboctahedra, corners with four equivalent CsO8 hexagonal bipyramids, an edgeedge with one LaO12 cuboctahedra, and an edgeedge with one CsO8 hexagonal bipyramid. There are a spread of Cs–O bond distances ranging from 3.06–3.38 Å. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with four equivalent CsO8 hexagonal bipyramids and edges with two equivalent CsO8 hexagonal bipyramids. There are a spread of La–O bond distances ranging from 2.60–2.77 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs, one La, and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs, one La, and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs, one La, and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a single-bond geometry to one La 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:
- 1672546
- Report Number(s):
- mp-1202786
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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