Fe2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and four equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeAs2P4 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to four equivalent As(1) and two equivalent P(1) atoms. As(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Fe(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Fe(2) and four equivalent Fe(1) atoms.
Fe2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent As(1) and four equivalent P(1) atoms to form a mixture of distorted corner, face, and edge-sharing FeAs2P4 octahedra. The corner-sharing octahedral tilt angles are 54°. There is one shorter (2.32 Å) and one longer (2.38 Å) Fe(1)-As(1) bond length. There are two shorter (2.31 Å) and two longer (2.36 Å) Fe(1)-P(1) bond lengths. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to four equivalent As(1) and two equivalent P(1) atoms. There are two shorter (2.34 Å) and two longer (2.40 Å) Fe(2)-As(1) bond lengths. There is one shorter (2.21 Å) and one longer (2.51 Å) Fe(2)-P(1) bond length. As(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1) and four equivalent Fe(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Fe(2) and four equivalent Fe(1) atoms.