Materials Data on Sn3H4(NO5)2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1285983· OSTI ID:1285983

Sn3H4(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Sn3H4(NO5)2 clusters. there are three inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.70 Å. In the second Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.31 Å. In the third Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.16–2.76 Å. There are two inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. In the second N2+ site, N2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one N2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Sn4+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Sn4+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one N2+ 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: 1285983
• Report Number(s): mp-705520
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
H-N-O-Sn
Sn3H4(NO5)2
crystal structure