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Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2. / Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V. et al.

In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 73, No. 2, 01.04.2017, p. 276-284.

Research output: Contribution to journal › Article › peer-review

Harvard

Bolotina, NB, Gavryushkin, PN, Korsakov, AV, Rashchenko, SV, Seryotkin, YV, Golovin, AV, Moine, BN, Zaitsev, AN & Litasov, KD 2017, 'Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 73, no. 2, pp. 276-284. https://doi.org/10.1107/S2052520616020680

APA

Bolotina, N. B., Gavryushkin, P. N., Korsakov, A. V., Rashchenko, S. V., Seryotkin, Y. V., Golovin, A. V., Moine, B. N., Zaitsev, A. N., & Litasov, K. D. (2017). Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73(2), 276-284. https://doi.org/10.1107/S2052520616020680

Vancouver

Bolotina NB, Gavryushkin PN, Korsakov AV, Rashchenko SV, Seryotkin YV, Golovin AV et al. Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2017 Apr 1;73(2):276-284. doi: 10.1107/S2052520616020680

Author

Bolotina, Nadezhda B. ; Gavryushkin, Pavel N. ; Korsakov, Andrey V. et al. / Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2. In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2017 ; Vol. 73, No. 2. pp. 276-284.

BibTeX

@article{dd76dc43f27b41a4922452179ac2e339,
title = "Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2",
abstract = "The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined in the (3+1)-dimensional symmetry group Cmcm(α00)00s with modulation vector q = 0.383a∗. Unit-cell values are a = 5.062(1), b = 8.790(1), c = 12.744(1) {\AA}. Three orthorhombic components are related by threefold rotation about [001]. Discontinuous crenel functions are used to describe the occupation modulation of Ca and some CO3 groups. The strong displacive modulation of the O atoms in vertexes of such CO3 groups is described using x-harmonics in crenel intervals. The Na, K atoms occupy mixed sites whose occupation modulation is described in two ways using either complementary harmonic functions or crenels. The nyerereite structure has been compared both with the commensurately modulated structure of K-free Na2Ca(CO3)2 and with the widely known incommensurately modulated structure of γ-Na2CO3. The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined and then compared with the modulated structure of γ-Na2CO3.",
keywords = "carbonates, incommensurately modulated structures, minerals, nyerereite, twinning, X-ray analysis, OLDOINYO-LENGAI, VOLCANO, TANZANIA, COMPUTING SYSTEM JANA2006, Molecular Conformation, Models, Molecular, Crystallography, X-Ray, Minerals/chemistry",
author = "Bolotina, {Nadezhda B.} and Gavryushkin, {Pavel N.} and Korsakov, {Andrey V.} and Rashchenko, {Sergey V.} and Seryotkin, {Yurii V.} and Golovin, {Alexander V.} and Moine, {Bertrand N.} and Zaitsev, {Anatoly N.} and Litasov, {Konstantin D.}",
year = "2017",
month = apr,
day = "1",
doi = "10.1107/S2052520616020680",
language = "English",
volume = "73",
pages = "276--284",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
issn = "2052-5192",
publisher = "Wiley-Blackwell",
number = "2",

}

RIS

TY - JOUR

T1 - Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2

AU - Bolotina, Nadezhda B.

AU - Gavryushkin, Pavel N.

AU - Korsakov, Andrey V.

AU - Rashchenko, Sergey V.

AU - Seryotkin, Yurii V.

AU - Golovin, Alexander V.

AU - Moine, Bertrand N.

AU - Zaitsev, Anatoly N.

AU - Litasov, Konstantin D.

PY - 2017/4/1

Y1 - 2017/4/1

N2 - The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined in the (3+1)-dimensional symmetry group Cmcm(α00)00s with modulation vector q = 0.383a∗. Unit-cell values are a = 5.062(1), b = 8.790(1), c = 12.744(1) Å. Three orthorhombic components are related by threefold rotation about [001]. Discontinuous crenel functions are used to describe the occupation modulation of Ca and some CO3 groups. The strong displacive modulation of the O atoms in vertexes of such CO3 groups is described using x-harmonics in crenel intervals. The Na, K atoms occupy mixed sites whose occupation modulation is described in two ways using either complementary harmonic functions or crenels. The nyerereite structure has been compared both with the commensurately modulated structure of K-free Na2Ca(CO3)2 and with the widely known incommensurately modulated structure of γ-Na2CO3. The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined and then compared with the modulated structure of γ-Na2CO3.

AB - The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined in the (3+1)-dimensional symmetry group Cmcm(α00)00s with modulation vector q = 0.383a∗. Unit-cell values are a = 5.062(1), b = 8.790(1), c = 12.744(1) Å. Three orthorhombic components are related by threefold rotation about [001]. Discontinuous crenel functions are used to describe the occupation modulation of Ca and some CO3 groups. The strong displacive modulation of the O atoms in vertexes of such CO3 groups is described using x-harmonics in crenel intervals. The Na, K atoms occupy mixed sites whose occupation modulation is described in two ways using either complementary harmonic functions or crenels. The nyerereite structure has been compared both with the commensurately modulated structure of K-free Na2Ca(CO3)2 and with the widely known incommensurately modulated structure of γ-Na2CO3. The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined and then compared with the modulated structure of γ-Na2CO3.

KW - carbonates

KW - incommensurately modulated structures

KW - minerals

KW - nyerereite

KW - twinning

KW - X-ray analysis

KW - OLDOINYO-LENGAI

KW - VOLCANO

KW - TANZANIA

KW - COMPUTING SYSTEM JANA2006

KW - Molecular Conformation

KW - Models, Molecular

KW - Crystallography, X-Ray

KW - Minerals/chemistry

UR - http://www.scopus.com/inward/record.url?scp=85017102346&partnerID=8YFLogxK

U2 - 10.1107/S2052520616020680

DO - 10.1107/S2052520616020680

M3 - Article

C2 - 28362292

AN - SCOPUS:85017102346

VL - 73

SP - 276

EP - 284

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

IS - 2

ER -

ID: 10037243