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

被引：15

作者：

Bolotina, Nadezhda B. ^{[1
]}

Gavryushkin, Pavel N. ^{[2
,3
]}

Korsakov, Andrey V. ^{[2
,3
]}

Rashchenko, Sergey V. ^{[2
,3
]}

Seryotkin, Yurii V. ^{[2
,3
]}

Golovin, Alexander V. ^{[2
,3
,4
]}

Moine, Bertrand N. ^{[5
]}

Zaitsev, Anatoly N. ^{[6
,7
]}

Litasov, Konstantin D. ^{[2
,3
]}

机构：

[1] Russian Acad Sci, Fed Sci Res Ctr Crystallog & Photon, Shubnikov Inst Crystallog, Leninskii Prosp 59, Moscow 119333, Russia

[2] Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Prosp Acad Koptyuga 3, Novosibirsk 630090, Russia

[3] Novosibirsk State Univ, Pirogova St 2, Novosibirsk 630090, Russia

[4] Russian Acad Sci, Siberian Branch, Diamond & Precious Met Geol Inst, Lenina Pr 39, Yakutsk 677007, Russia

[5] Univ J Monnet, CNRS, UMR6524, Lab Magmas & Volcans, 23 Rue Dr P Michelon, F-42023 St Etienne, France

[6] St Petersburg State Univ, Dept Mineral, Univ Emb 7-9, St Petersburg 199034, Russia

[7] Nat Hist Museum, Dept Earth Sci, Cromwell Rd, London SW7 5BD, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2017年 / 73卷

基金：

俄罗斯基础研究基金会; 俄罗斯科学基金会;

关键词：

minerals; carbonates; nyerereite; X-ray analysis; incommensurately modulated structures; twinning; COMPUTING SYSTEM JANA2006; OLDOINYO-LENGAI; TANZANIA; VOLCANO;

D O I：

10.1107/S2052520616020680

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)(2) has been first determined in the (3 + 1)- dimensional symmetry group Cmcm(alpha 00)00s with modulation vector q = 0.383a*. Unit-cell values are a = 5.062 (1), b = 8.790 (1), c = 12.744 (1) angstrom. 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 gamma-Na2CO3.

引用

页码：276 / 284

页数：9

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