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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Si3Os2 by Materials Project

Os2Si3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 7-coordinate geometry to seven Si+1.33+ atoms. There are a spread of Os–Si bond distances ranging from 2.39–2.54 Å. In the second Os2- site, Os2- is bonded to six Si+1.33+ atoms to form distorted edge-sharing OsSi6 octahedra. There are a spread of Os–Si bond distances ranging from 2.36–2.49 Å. In the third Os2- site, Os2- is bonded in a 8-coordinate geometry to eight Si+1.33+ atoms. There are a spread of Os–Si bond distances ranging from 2.41–2.81 Å. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a 4-coordinate geometry to four Os2- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 5-coordinate geometry to five Os2- atoms. In the third Si+1.33+ site, Si+1.33+ is bonded in a distorted pentagonal planar geometry to five Os2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2Os by Materials Project

OsSi2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Os–Si bond distances ranging from 2.48–2.53 Å. In the second Os8+ site, Os8+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Os–Si bond distances ranging from 2.47–2.50 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four Os8+ and five Si4- atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.72 Å. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four Os8+ and five Si4- atoms. There are one shorter (2.62 Å) and one longer (2.71 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiOs by Materials Project

OsSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Os4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Os–Si bond distances ranging from 2.39–2.80 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Os4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si3Os by Materials Project

OsSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, Os4+ is bonded in a distorted body-centered cubic geometry to fourteen Si+1.33- atoms. There are a spread of Os–Si bond distances ranging from 2.61–3.14 Å. In the second Os4+ site, Os4+ is bonded in a distorted body-centered cubic geometry to fourteen Si+1.33- atoms. There are a spread of Os–Si bond distances ranging from 2.61–3.14 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four Os4+ and four Si+1.33- atoms. All Si–Si bond lengths are 2.61 Å. In the second Si+1.33- site, Si+1.33- is bonded to six Os4+ and eight equivalent Si+1.33- atoms to form a mixture of distorted corner and face-sharing SiSi8Os6 cuboctahedra. In the third Si+1.33- site, Si+1.33- is bonded to six Os4+ and eight equivalent Si+1.33- atoms to form a mixture of distorted corner and face-sharing SiSi8Os6 cuboctahedra.

36 MATERIALS SCIENCE↗