An X-ray Diffraction Study of the Structure of Vitreous P 2 O 5
Recently, the lengths of the two P-O bonds in the PO 4 tetrahedron were obtained by neutron diffraction of high real-space resolution. By use of the present X-ray diffraction experiments, the P-P distance belonging to pairs of corner-linked PO 4 units is determined. Using this length of (294 ± 2) pm...
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Veröffentlicht in: | Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 1998-04, Vol.53 (3-4), p.93-104 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Recently, the lengths of the two P-O bonds in the PO
4
tetrahedron were obtained by neutron diffraction of high real-space resolution. By use of the present X-ray diffraction experiments, the P-P distance belonging to pairs of corner-linked PO
4
units is determined. Using this length of (294 ± 2) pm and taking into account the P-0 bond distance to the bridging oxygen atom of 158 pm, a mean P-O-P angle of 137° ± 3° is calculated. The reverse Monte Carlo simulations fit the neutron and X-ray structure factors. The P-O-P angle distribution obtained this way possesses a mean angle of 141°. An interpretation of the first scattering peaks is presented by analysing the occupancy and the distances of various co-ordination shells by use of model configurations. The low occupancy of the first shells allows the application of the schematic hole model of Dixmier. The first X-ray diffraction peak at 13 nm
-1
is related to the P-P
2nd
shell, the shoulder at 20 nm
-1
arises from the P-O
2nd
shell. The most similar crystalline structure with vitreous P
2
O
5
is the orthorhombic P
2
O
5
, form II. But it has more effectively orientated terminal oxygen atoms and, thus, a higher packing than the glass. |
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ISSN: | 0932-0784 1865-7109 |
DOI: | 10.1515/zna-1998-3-401 |