Materials Data on NdFeSi by Materials Project
NdFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd2+ is bonded in a 9-coordinate geometry to four equivalent Fe2+ and five equivalent Si4- atoms. All Nd–Fe bond lengths are 2.99 Å. There are four shorter (3.06 Å) and one longer (3.67 Å) Nd–Si bond lengths. Fe2+ is bonded in a 8-coordinate geometry to four equivalent Nd2+ and four equivalent Si4- atoms. All Fe–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd2+ and four equivalent Fe2+ atoms.
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