Structure of Zn3P2

The structure of Zn3P2 (P4(2)/nmc, a = b = 8.0785 angstrom, c = 11.3966 angstrom) was solved and refined to R 3.2% in a precision X-ray diffraction experiment (lambda-MoK alpha, graphite monochromator on a primary beam, 27,496 reflections). Interatomic distances and bond angles have been determined. The fcc lattice of the structure is built from phosphorus atoms, and the zinc atoms occupy 3/4 of all tetrahedral voids; the structure is described by two equivalent models where 1/4 occupied (by zinc atoms) and 1/4 vacant voids change places. The zinc atoms that occupy the voids following the diamond principle do not change places.