Abstract
High-resolution P Kβ X-ray fluorescence (XRF) spectra of boron subphosphide have been measured and three peaks are distinguished in the broad feature around 2135 eV. The P Kβ fluorescence spectra of four kinds of model clusters P 2, PB 3, P 2B 6, and P 2B 7 are calculated, and it is found that only the spectra of P 2B 6 cluster with appropriate parameters best represents the experimental one. Therefore the composition of boron subphosphide is determined to be B 12P 2 (which corresponds to the P 2B 6 cluster), not B 13P 2. The two phosphorus atoms lie along the interstice among boron icosahedra, and each is bonded to the other phosphorus atom and the three boron atoms, forms a distorted tetrahedron.
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