The crystal structure of garnets (I): The residual electron density distribution in pyrope

The crystal structure of garnets (I): The residual electron density distribution in pyrope Abstract The crystal structure of pyrope, Mg 3 Al 2 Si 3 O 12 , was refined by the X-ray diffraction method with anharmonic thermal vibration considered, applying the Gram-Charlier series expansion up to the fourth-rank tensors ( R = 0.015 for 688 reflexions). A positive electron density residue due to bonding electrons 0.7 eÅ −3 in height was observed between the silicon and oxygen atoms. Crystal data: (Natural specimen from Parigi, Martiniana Po, Cuneo, Italy; Cubic garnet structure; Ia (unk) d ; Z = 8; a o = 11.4582(6) Å; V = 1504.35 Å 3 ; D x = 3.560 g cm −3 ; μ = 11.88 cm −1 ; λ (Mo Kα ) = 0.71069 Å, F (000) = 1600; T = 296 K). http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

The crystal structure of garnets (I): The residual electron density distribution in pyrope

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Publisher
de Gruyter
Copyright
Copyright © 1993 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.1993.203.Part-1.41
Publisher site
See Article on Publisher Site

Abstract

Abstract The crystal structure of pyrope, Mg 3 Al 2 Si 3 O 12 , was refined by the X-ray diffraction method with anharmonic thermal vibration considered, applying the Gram-Charlier series expansion up to the fourth-rank tensors ( R = 0.015 for 688 reflexions). A positive electron density residue due to bonding electrons 0.7 eÅ −3 in height was observed between the silicon and oxygen atoms. Crystal data: (Natural specimen from Parigi, Martiniana Po, Cuneo, Italy; Cubic garnet structure; Ia (unk) d ; Z = 8; a o = 11.4582(6) Å; V = 1504.35 Å 3 ; D x = 3.560 g cm −3 ; μ = 11.88 cm −1 ; λ (Mo Kα ) = 0.71069 Å, F (000) = 1600; T = 296 K).

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jan 1, 1993

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