Steric contribution in compressibilities of K+ coordination polyhedra

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Steric contribution in compressibilities of K+ coordination polyhedra. / Rashchenko, Sergey V.

в: Mineralogical Magazine, 28.11.2025, стр. 1-16.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{f8f48c6c1e9b46f89809db409969f8e8,

title = "Steric contribution in compressibilities of K+ coordination polyhedra",

abstract = "The bulk modulus of a crystal is often closely related to the compressibility of its constituent elements, such as cation-centered coordination polyhedra. The compressive behavior of regular polyhedra with a fixed coordination number was thoroughly studied decades ago and was found to follow a simple universal rule. However, the compressive behavior of large cations with irregular and poorly defined coordination polyhedra has not been systematically studied due to several methodological challenges and biases. Here, an original approach to defining and analyzing polyhedral compressibility is proposed, based on the concepts of effective coordination number (ECoN) and weighted mean bond length. This approach is demonstrated using K+ coordination polyhedra as an example.",

keywords = "pressure, polyhedron, compressibility, bulk modulus, effective coordination, number, ECoN, weighted mean bond length",

author = "Rashchenko, {Sergey V.}",

note = "Rashchenko SV. Steric contribution in compressibilities of K+ coordination polyhedra. Mineralogical Magazine. Published online 2025:1-16. doi:10.1180/mgm.2025.10184 The work was supported by the Russian Science Foundation (grant No. 23-77-10047).",

year = "2025",

month = nov,

day = "28",

doi = "10.1180/mgm.2025.10184",

language = "English",

pages = "1--16",

journal = "Mineralogical Magazine",

issn = "0026-461X",

publisher = "Mineralogical Society",

}

RIS

TY - JOUR

T1 - Steric contribution in compressibilities of K+ coordination polyhedra

AU - Rashchenko, Sergey V.

N1 - Rashchenko SV. Steric contribution in compressibilities of K+ coordination polyhedra. Mineralogical Magazine. Published online 2025:1-16. doi:10.1180/mgm.2025.10184 The work was supported by the Russian Science Foundation (grant No. 23-77-10047).

PY - 2025/11/28

Y1 - 2025/11/28

N2 - The bulk modulus of a crystal is often closely related to the compressibility of its constituent elements, such as cation-centered coordination polyhedra. The compressive behavior of regular polyhedra with a fixed coordination number was thoroughly studied decades ago and was found to follow a simple universal rule. However, the compressive behavior of large cations with irregular and poorly defined coordination polyhedra has not been systematically studied due to several methodological challenges and biases. Here, an original approach to defining and analyzing polyhedral compressibility is proposed, based on the concepts of effective coordination number (ECoN) and weighted mean bond length. This approach is demonstrated using K+ coordination polyhedra as an example.

AB - The bulk modulus of a crystal is often closely related to the compressibility of its constituent elements, such as cation-centered coordination polyhedra. The compressive behavior of regular polyhedra with a fixed coordination number was thoroughly studied decades ago and was found to follow a simple universal rule. However, the compressive behavior of large cations with irregular and poorly defined coordination polyhedra has not been systematically studied due to several methodological challenges and biases. Here, an original approach to defining and analyzing polyhedral compressibility is proposed, based on the concepts of effective coordination number (ECoN) and weighted mean bond length. This approach is demonstrated using K+ coordination polyhedra as an example.

KW - pressure

KW - polyhedron

KW - compressibility

KW - bulk modulus

KW - effective coordination

KW - number

KW - ECoN

KW - weighted mean bond length

UR - https://www.scopus.com/pages/publications/105023697189

U2 - 10.1180/mgm.2025.10184

DO - 10.1180/mgm.2025.10184

M3 - Article

SP - 1

EP - 16

JO - Mineralogical Magazine

JF - Mineralogical Magazine

SN - 0026-461X

ER -

ID: 72690848