Materials Data on Sr(As3Pt2)2 by Materials Project
Sr(Pt2As3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded to six Pt2- atoms to form distorted corner-sharing SrPt6 pentagonal pyramids. There are a spread of Sr–Pt bond distances ranging from 2.99–3.18 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six As1+ atoms to form corner-sharing PtAs6 octahedra. The corner-sharing octahedra tilt angles range from 60–65°. There are two shorter (2.52 Å) and four longer (2.53 Å) Pt–As bond lengths. In the second Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 20–108°. There are a spread of Pt–As bond distances ranging from 2.48–2.54 Å. In the third Pt2- site, Pt2- is bonded to two equivalent Sr2+ and four As1+ atoms to form PtSr2As4 octahedra that share corners with ten PtAs6 octahedra and edges with four equivalent PtSr2As4 octahedra. The corner-sharing octahedra tilt angles range from 30–83°. There are two shorter (2.47 Å) and two longer (2.53 Å) Pt–As bond lengths. There are three inequivalent As1+ sites. In the first As1+ site, As1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms. In the second As1+ site, As1+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the third As1+ site, As1+ is bonded in a trigonal non-coplanar geometry to three Pt2- atoms.
- 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:
- 1190704
- Report Number(s):
- mp-14500
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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