Crystal structure of Cr2P: Orthorhombic distorsion of hexagonal structure of the Fe2P type

The crystal structure of Cr2P has been determined using the profile refinement method from neutron diffraction data, It is orthorhombic, space group Imm2, and lattice parameters a = 6.6097(1) Angstrom, b = 10.4023(2) Angstrom, c = 6.3371(1) Angstrom. The crystal structure derives from the hexagonal Fe2P-type by a distortion mechanism which implies atomic shifts of the Cr atoms parallel to the hexagonal c axis leading to the formation of Cr-Cr bonds in this direction, The distortion results from an interplay between the competing d-d and d-p hybridizations. (C) 1996 Academic Press, Inc.