NdFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 8-coordinate geometry to five equivalent Nd(1) and four equivalent Fe(1) atoms.
NdFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nd(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and five equivalent Si(1) atoms. All Nd(1)-Fe(1) bond lengths are 2.96 Å. There are four shorter (3.05 Å) and one longer (3.72 Å) Nd(1)-Si(1) bond length. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. All Fe(1)-Si(1) bond lengths are 2.31 Å. Si(1) is bonded in a 8-coordinate geometry to five equivalent Nd(1) and four equivalent Fe(1) atoms.