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Electron density and traditional structural chemistry of silicates

Elena Leonidovna Belokoneva 1
Elena Leonidovna Belokoneva
1 Faculty of Geology, Lomonosov Moscow State University
10.1070/RC1999v068n04ABEH000485
Published 30 November 1998
Communication , Volume 68, Issue 4, 299-316
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Belokoneva E. L. Electron density and traditional structural chemistry of silicates // Russian Chemical Reviews. 1999. Vol. 68. No. 4. pp. 299-316.
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Belokoneva E. L. Electron density and traditional structural chemistry of silicates // Russian Chemical Reviews. 1999. Vol. 68. No. 4. pp. 299-316.
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TY - JOUR
DO - 10.1070/RC1999v068n04ABEH000485
UR - https://rcr.colab.ws/publications/10.1070/RC1999v068n04ABEH000485
TI - Electron density and traditional structural chemistry of silicates
T2 - Russian Chemical Reviews
AU - Belokoneva, Elena Leonidovna
PY - 1999
DA - 1998/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 299-316
IS - 4
VL - 68
ER -
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@article{1999_Belokoneva,
author = {Elena Leonidovna Belokoneva},
title = {Electron density and traditional structural chemistry of silicates},
journal = {Russian Chemical Reviews},
year = {1999},
volume = {68},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC1999v068n04ABEH000485},
number = {4},
pages = {299--316},
doi = {10.1070/RC1999v068n04ABEH000485}
}
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Belokoneva, Elena Leonidovna. “Electron density and traditional structural chemistry of silicates.” Russian Chemical Reviews, vol. 68, no. 4, Nov. 1999, pp. 299-316. https://rcr.colab.ws/publications/10.1070/RC1999v068n04ABEH000485.
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Abstract

New rezults of studies on the electron density of silicates are considered in accordance with the traditional structural classification. Precision X-ray diffraction data and results of structure refinement based on high-angle and multipole models are discussed. Bonded radii, charges on atoms and bond ionicities in Si, Al, B and Be tetrahedra are estimated from the deformation electron density maps in relation to the electronic structures of the atoms and their electronegativities. New possibilities for the solution of problems of isomorphism, for investigations on hydrogen bonds and for the classification are demonstrated. It is noted that the electron density distributions allow one to consider fundamentals of traditional structural chemistry of silicates on the electronic level. For selected compounds, the results of experimental studies of the electron density and of quantum-chemical calculations are compared. The bibliography includes 97 references.

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