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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbMnSi by Materials Project

TbMnSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Si atoms. There are a spread of Tb–Mn bond distances ranging from 2.98–3.38 Å. There are a spread of Tb–Si bond distances ranging from 2.96–2.99 Å. Mn is bonded in a 4-coordinate geometry to six equivalent Tb and four equivalent Si atoms. There are three shorter (2.47 Å) and one longer (2.75 Å) Mn–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbMnSi by Materials Project

TbMnSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent Mn and five equivalent Si atoms. All Tb–Mn bond lengths are 3.08 Å. There are four shorter (2.93 Å) and one longer (3.38 Å) Tb–Si bond lengths. Mn is bonded to four equivalent Tb and four equivalent Si atoms to form a mixture of distorted edge and face-sharing MnTb4Si4 tetrahedra. All Mn–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Mn3Si5 by Materials Project

Tb2Mn3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Tb–Si bond distances ranging from 2.80–3.12 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing MnSi6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Mn–Si bond distances ranging from 2.37–2.43 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.39 Å) and two longer (2.62 Å) Mn–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to four equivalent Tb3+ and four equivalent Mn2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Tb3+, three Mn2+, and four Si+2.40- atoms. There are two shorter (2.51 Å) and two longer (2.73 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to three equivalent Tb3+, four Mn2+, and two equivalent Si+2.40- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(MnSi)2 by Materials Project

TbMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.03 Å. Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.37 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Mn2+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

36 MATERIALS SCIENCE↗