The structure of denisovite, a fibrous nanocrystalline polytypic disordered 'very complex' silicate, studied by a synergistic multi-disciplinary approach employing methods of electron crystallography and X-ray powder diffraction

IUCrJ
Ira V RozhdestvenskayaAndreas Rosenauer

Abstract

Denisovite is a rare mineral occurring as aggregates of fibres typically 200-500 nm diameter. It was confirmed as a new mineral in 1984, but important facts about its chemical formula, lattice parameters, symmetry and structure have remained incompletely known since then. Recently obtained results from studies using microprobe analysis, X-ray powder diffraction (XRPD), electron crystallography, modelling and Rietveld refinement will be reported. The electron crystallography methods include transmission electron microscopy (TEM), selected-area electron diffraction (SAED), high-angle annular dark-field imaging (HAADF), high-resolution transmission electron microscopy (HRTEM), precession electron diffraction (PED) and electron diffraction tomography (EDT). A structural model of denisovite was developed from HAADF images and later completed on the basis of quasi-kinematic EDT data by ab initio structure solution using direct methods and least-squares refinement. The model was confirmed by Rietveld refinement. The lattice parameters are a = 31.024 (1), b = 19.554 (1) and c = 7.1441 (5) Å, β = 95.99 (3)°, V = 4310.1 (5) Å(3) and space group P12/a1. The structure consists of three topologically distinct dreier silicate chains, viz. tw...Continue Reading

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Citations

Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Sergey V Krivovichev
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Arianna E LanzaWerner H Paar
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Ute KolbSergi Plana-Ruiz
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Mauro Gemmi, Arianna E Lanza
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Enrico Mugnaioli, Tatiana E Gorelik
May 18, 2017·IUCrJ·C Richard A Catlow
Jun 19, 2019·Angewandte Chemie·Iryna AndrusenkoMauro Gemmi
Feb 20, 2020·Structural Dynamics·Brent L Nannenga
Nov 20, 2020·IUCrJ·Enrico MugnaioliMiguel Gregorkiewitz
Jan 26, 2021·Frontiers in Molecular Biosciences·Patrick R GleasonJeremy H Mills
Sep 5, 2019·ACS Central Science·Mauro GemmiJan Pieter Abrahams

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Methods Mentioned

BETA
electron crystallography
X-ray
electron
transmission electron microscopy
electron diffraction
by electron diffraction
electron crystallographic diffraction

Software Mentioned

TOPAS
WinCSD
PDWIN
COMPSTRU
SIR2014
ADT3D
Denisovite
SHELXL97
STEMSIM

Related Concepts