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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaMnSi by Materials Project

TaMnSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five Si atoms. There are four shorter (2.60 Å) and one longer (2.63 Å) Ta–Si bond lengths. Mn is bonded in a 4-coordinate geometry to four Si atoms. There are two shorter (2.35 Å) and two longer (2.46 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Ta and six equivalent Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ta and three equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaMnSi by Materials Project

TaMnSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six Mn and five Si atoms. There are a spread of Ta–Mn bond distances ranging from 2.72–2.81 Å. There are a spread of Ta–Si bond distances ranging from 2.60–2.78 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are three shorter (2.60 Å) and two longer (2.61 Å) Ta–Si bond lengths. In the third Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ta–Si bond distances ranging from 2.59–2.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are two shorter (2.40 Å) and two longer (2.47 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Ta and three Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Ta and six Mn atoms.

36 MATERIALS SCIENCE↗