Materials Data on H6Pt(NO)4 by Materials Project

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

DOI:https://doi.org/10.17188/1680796· OSTI ID:1680796

PtH6(NO)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four PtH6(NO)4 clusters. Pt6+ is bonded in a rectangular see-saw-like geometry to four N1- atoms. There are two shorter (2.01 Å) and two longer (2.09 Å) Pt–N bond lengths. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a trigonal planar geometry to one Pt6+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Pt6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the third N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Pt6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fourth N1- site, N1- is bonded in a trigonal planar geometry to one Pt6+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N1- 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: 1680796
• Report Number(s): mp-1195303
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
H-N-O-Pt
H6Pt(NO)4
crystal structure