FeSP is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form distorted FeP3S3 octahedra that share corners with eight equivalent Fe(1)P3S3 octahedra, corners with three equivalent P(1)Fe3S tetrahedra, corners with three equivalent S(1)Fe3P tetrahedra, and edges with two equivalent Fe(1)P3S3 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. P(1) is bonded to three equivalent Fe(1) and one S(1) atom to form PFe3S tetrahedra that share corners with three equivalent Fe(1)P3S3 octahedra, corners with four equivalent P(1)Fe3S tetrahedra, corners with nine equivalent S(1)Fe3P tetrahedra, and  an edgeedge with one P(1)Fe3S tetrahedra. The corner-sharing octahedral tilt angles range from 67-72°. S(1) is bonded to three equivalent Fe(1) and one P(1) atom to form SFe3P tetrahedra that share corners with three equivalent Fe(1)P3S3 octahedra, corners with four equivalent S(1)Fe3P tetrahedra, corners with nine equivalent P(1)Fe3S tetrahedra, and  an edgeedge with one S(1)Fe3P tetrahedra. The corner-sharing octahedral tilt angles range from 75-78°.
FeSP is Hausmannite-derived structured and crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form distorted FeP3S3 octahedra that share corners with eight equivalent Fe(1)P3S3 octahedra, corners with three equivalent P(1)Fe3S tetrahedra, corners with three equivalent S(1)Fe3P tetrahedra, and edges with two equivalent Fe(1)P3S3 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There is one shorter (2.27 Å) and two longer (2.28 Å) Fe(1)-P(1) bond lengths. There are two shorter (2.18 Å) and one longer (2.20 Å) Fe(1)-S(1) bond length. P(1) is bonded to three equivalent Fe(1) and one S(1) atom to form PFe3S tetrahedra that share corners with three equivalent Fe(1)P3S3 octahedra, corners with four equivalent P(1)Fe3S tetrahedra, corners with nine equivalent S(1)Fe3P tetrahedra, and  an edgeedge with one P(1)Fe3S tetrahedra. The corner-sharing octahedral tilt angles range from 67-72°. The P(1)-S(1) bond length is 2.22 Å. S(1) is bonded to three equivalent Fe(1) and one P(1) atom to form SFe3P tetrahedra that share corners with three equivalent Fe(1)P3S3 octahedra, corners with four equivalent S(1)Fe3P tetrahedra, corners with nine equivalent P(1)Fe3S tetrahedra, and  an edgeedge with one S(1)Fe3P tetrahedra. The corner-sharing octahedral tilt angles range from 75-78°.