Materials Data on In4As3P by Materials Project
In4As3P crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one phosphine molecule and one In4As3 framework. In the In4As3 framework, there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) In–As bond lengths. In the second In1+ site, In1+ is bonded to four As3- atoms to form corner-sharing InAs4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–As bond lengths. In the third In1+ site, In1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both In–As bond lengths are 2.68 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra.
- 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:
- 1674935
- Report Number(s):
- mp-1223887
- Country of Publication:
- United States
- Language:
- English
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