Materials Data on TmN7O15 by Materials Project
Tm(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Tm(NO3)5 clusters. In each Tm(NO3)5 cluster, Tm3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tm–O bond distances ranging from 2.39–2.54 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.29 Å. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Tm3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Tm3+ and one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Tm3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ 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:
- 1707447
- Report Number(s):
- mp-1204464
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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