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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on P2S3 by Materials Project

P2S3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one P2S3 sheet oriented in the (0, 0, 1) direction. P3+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are one shorter (2.13 Å) and two longer (2.15 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two equivalent P3+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent P3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2S3 by Materials Project

P2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two P2S3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.14–2.16 Å. In the second P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.14–2.16 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P3+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two P3+ atoms.

36 MATERIALS SCIENCE↗