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Title: Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features

Abstract

A specimen of iron-rich bustamite from the Broken Hill deposit (Australia) has been studied by single-crystal X-ray diffraction and by Mössbauer and IR spectroscopy. The triclinic unit-cell parameters are as follows: a = 7.1301(4) Å, b = 7.6940(3) Å, c = 7.7345(4) Å, α = 79.352(4)°, β = 62.951(6)°, γ = 76.149(3)°, V = 365.49(3) Å{sup 3}, sp. gr. P1̄. The structure is solved by direct methods and refined to R = 5.22% based on 7298 reflections with |F| > 4σ(F). The mineral under study is similar in composition and structure to the Fe-rich bustamite described earlier. It is found that all iron atoms are in the divalent state and occupy the M1 and M3 sites in a ratio of 33: 67. The idealized formula of iron-rich bustamite from Broken Hill (Z = 1) is Mn{sub 2}Ca{sub 2}(Fe,Mn)Ca[Si{sub 3}O{sub 9}]{sub 2}.

Authors:
 [1];  [2];  [1]; ;  [2];  [3];  [2]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
  2. Moscow State University (Russian Federation)
  3. Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)
Publication Date:
OSTI Identifier:
22722863
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 60; Journal Issue: 3; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTAL STRUCTURE; INFRARED SPECTRA; IRON; MINERALS; MOESSBAUER SPECTROMETERS; MONOCRYSTALS; REFLECTION; X-RAY DIFFRACTION

Citation Formats

Aksenov, S. M., E-mail: aks.crys@gmail.com, Shipalkina, N. V., Rastsvetaeva, R. K., Rusakov, V. S., Pekov, I. V., Chukanov, N. V., and Yapaskurt, V. O. Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features. United States: N. p., 2015. Web. doi:10.1134/S1063774515030037.
Aksenov, S. M., E-mail: aks.crys@gmail.com, Shipalkina, N. V., Rastsvetaeva, R. K., Rusakov, V. S., Pekov, I. V., Chukanov, N. V., & Yapaskurt, V. O. Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features. United States. doi:10.1134/S1063774515030037.
Aksenov, S. M., E-mail: aks.crys@gmail.com, Shipalkina, N. V., Rastsvetaeva, R. K., Rusakov, V. S., Pekov, I. V., Chukanov, N. V., and Yapaskurt, V. O. Fri . "Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features". United States. doi:10.1134/S1063774515030037.
@article{osti_22722863,
title = {Iron-rich bustamite from Broken Hill, Australia: The crystal structure and cation-ordering features},
author = {Aksenov, S. M., E-mail: aks.crys@gmail.com and Shipalkina, N. V. and Rastsvetaeva, R. K. and Rusakov, V. S. and Pekov, I. V. and Chukanov, N. V. and Yapaskurt, V. O.},
abstractNote = {A specimen of iron-rich bustamite from the Broken Hill deposit (Australia) has been studied by single-crystal X-ray diffraction and by Mössbauer and IR spectroscopy. The triclinic unit-cell parameters are as follows: a = 7.1301(4) Å, b = 7.6940(3) Å, c = 7.7345(4) Å, α = 79.352(4)°, β = 62.951(6)°, γ = 76.149(3)°, V = 365.49(3) Å{sup 3}, sp. gr. P1̄. The structure is solved by direct methods and refined to R = 5.22% based on 7298 reflections with |F| > 4σ(F). The mineral under study is similar in composition and structure to the Fe-rich bustamite described earlier. It is found that all iron atoms are in the divalent state and occupy the M1 and M3 sites in a ratio of 33: 67. The idealized formula of iron-rich bustamite from Broken Hill (Z = 1) is Mn{sub 2}Ca{sub 2}(Fe,Mn)Ca[Si{sub 3}O{sub 9}]{sub 2}.},
doi = {10.1134/S1063774515030037},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 3,
volume = 60,
place = {United States},
year = {2015},
month = {5}
}