Materials Data on K2PtC4(N2Cl)2 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1651837· OSTI ID:1651837

K2PtC4(N2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Cl1- atoms. There are a spread of K–N bond distances ranging from 2.87–3.37 Å. There are one shorter (3.41 Å) and one longer (3.42 Å) K–Cl bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Cl1- atoms. All Pt–C bond lengths are 2.02 Å. Both Pt–Cl bond lengths are 2.37 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Pt2- 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: 1651837
• Report Number(s): mp-1193616
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
C-Cl-K-N-Pt
K2PtC4(N2Cl)2
crystal structure