Materials Data on Rb2Mn(PS3)2 by Materials Project
Rb2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.47–4.03 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.61 Å) and four longer (2.65 Å) Mn–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.03 Å) and two longer (2.04 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Rb1+, one Mn2+, and one P4+ 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:
- 1270963
- Report Number(s):
- mp-559643
- Country of Publication:
- United States
- Language:
- English
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