TY - JOUR
T1 - Quantitative symmetry and chirality of the molecular building blocks of quartz
AU - Yogev-Einot, Dina
AU - Avnir, David
PY - 2003/1
Y1 - 2003/1
N2 - We introduce the use of the concept of continuity in symmetry and chirality as a novel descriptor of the structure of the building blocks of materials. These measures are of global nature, and take into account all angles and bond lengths of the molecular building blocks. The particular example we have selected for a detailed analysis is (low) quartz. All of its main building blocks, namely the elementary SiO4 tetrahedron, the Si(OSi)4 unit, the silicon atoms tetrahedron SiSi4, and six of its internal helical structures, were investigated in detail as to their degree of chirality, tetrahedricity content, degree of distortion from C2-symmetry, and more. Specific chirality is defined and its value determined for low and high quartz and for cristobalite. The most chiral unit within quartz was found to be a four-SiO4 segment helix.
AB - We introduce the use of the concept of continuity in symmetry and chirality as a novel descriptor of the structure of the building blocks of materials. These measures are of global nature, and take into account all angles and bond lengths of the molecular building blocks. The particular example we have selected for a detailed analysis is (low) quartz. All of its main building blocks, namely the elementary SiO4 tetrahedron, the Si(OSi)4 unit, the silicon atoms tetrahedron SiSi4, and six of its internal helical structures, were investigated in detail as to their degree of chirality, tetrahedricity content, degree of distortion from C2-symmetry, and more. Specific chirality is defined and its value determined for low and high quartz and for cristobalite. The most chiral unit within quartz was found to be a four-SiO4 segment helix.
UR - http://www.scopus.com/inward/record.url?scp=0037245139&partnerID=8YFLogxK
U2 - 10.1021/cm0207806
DO - 10.1021/cm0207806
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AN - SCOPUS:0037245139
SN - 0897-4756
VL - 15
SP - 464
EP - 472
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 2
ER -