Electron Density Distribution Obtained from X-Ray Powder Data by the Maximum Entropy Method
1991 ◽
Vol 35
(A)
◽
pp. 77-83
◽
Keyword(s):
X Ray
◽
AbstractThe electron density distribution maps for CaF2 and TiO2 (rutile) were obtained from profile fitting of powder diffraction data by a Maximum Entropy Method (MEM) analysis. The resultant electron density maps show clearly the nature of the chemical bonding. In order to interpret the results, the nuclear density distribution was also obtained for rutile from powder neutron diffraction data. In the electron density map for rutile obtained by HEM analysis from the X-ray data, both apical and equatorial bonding can be seen. On the other hand, the nuclear density of rutile Is very simple and shows the thermal vibration of nuclei.
1994 ◽
Vol 55
(9)
◽
pp. 809-814
◽
1993 ◽
Vol 54
(4)
◽
pp. 445-452
◽
1994 ◽
Vol 50
(3)
◽
pp. 383-391
◽
1990 ◽
Vol 23
(6)
◽
pp. 526-534
◽
The electron density distribution in alpha -tin from powder X-ray data by the maximum-entropy method
1995 ◽
Vol 7
(34)
◽
pp. 6961-6966
◽
1993 ◽
Vol 54
(11)
◽
pp. 1543-1548
◽
1995 ◽
Vol 51
(4)
◽
pp. 580-591
◽
1996 ◽
Vol 8
(29)
◽
pp. 5295-5299
◽