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（钾钠）硅酸钙的晶体结构

Crystal structure of (KNa)CaSiO.

作者信息

Kahlenberg Volker

机构信息

University of Innsbruck, Institute of Mineralogy & Petrography, Innrain 52, A-6020 Innsbruck, Austria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jun 16;78(Pt 7):727-731. doi: 10.1107/S2056989022006193. eCollection 2022 Jul 1.

DOI:10.1107/S2056989022006193
PMID:35855368
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9260351/
Abstract

Single crystals of (KNa)CaSiO [idealized (KNa)CaSiO, di(pot-assium, sodium) tricalcium tris-ilicate], were obtained from the crystallization of a glass with a molar oxide ratio of KO:NaO:CaO:SiO = 1.5:0.5:6:6 that was annealed at 1273 K. The crystal structure can be characterized as a mixed-anion oxidosilicate with isolated [SiO] tetra-hedra as well as [SiO] single rings. The insular and cyclic silicate anions occur in the ratio 2:1, resulting in the idealized crystallochemical formula KNaCa[SiO][SiO]. Charge compensation is provided by K, Na (occupying the same sites) and Ca cations. The two unique Ca cations are coordinated by six O atoms, forming distorted octa-hedra. By sharing common corners, edges and faces, these [CaO] polyhedra build up octa-hedral layer-like motifs parallel to (010). (K/Na) ions reside in voids between the the silicate anions and the calcium centered octa-hedra and are coordinated by eight to nine oxygen ligands. (KNa)CaSiO is isotypic with KCaSiO indicating the existence of a solid-solution series K Na CaSiO

摘要

(KNa)CaSiO（理想化学式为(KNa)CaSiO，二（钾、钠）三钙三硅酸盐）的单晶是通过对摩尔氧化物比例为KO:NaO:CaO:SiO = 1.5:0.5:6:6的玻璃进行结晶获得的，该玻璃在1273 K下退火。其晶体结构可表征为一种混合阴离子氧化硅酸盐，具有孤立的[SiO]四面体以及[SiO]单环。孤立的和环状的硅酸根阴离子的比例为2:1，从而得到理想的晶体化学式KNaCa[SiO][SiO]。电荷补偿由K、Na（占据相同位置）和Ca阳离子提供。两个独特的Ca阳离子由六个O原子配位，形成扭曲的八面体。通过共享公共角、边和面，这些[CaO]多面体构建出平行于(010)的八面体层状结构单元。(K/Na)离子位于硅酸根阴离子和以钙为中心的八面体之间的空隙中，并由八到九个氧配体配位。(KNa)CaSiO与KCaSiO同型，表明存在固溶体系列K Na CaSiO

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/c55f90bff169/e-78-00727-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/72c87beb5942/e-78-00727-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/30b3a5c43272/e-78-00727-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/45730f9fac2f/e-78-00727-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/3b7a8e244a16/e-78-00727-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/5902e3775efd/e-78-00727-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/c55f90bff169/e-78-00727-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/72c87beb5942/e-78-00727-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/30b3a5c43272/e-78-00727-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/45730f9fac2f/e-78-00727-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/3b7a8e244a16/e-78-00727-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/5902e3775efd/e-78-00727-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f43a/9260351/c55f90bff169/e-78-00727-fig6.jpg

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