Abstract

Kurchatovite and clinokurchatovite, both of ideal composition CaMgB2O5, from the type localities (Solongo, Buryatia, Russia, and Sayak-IV, Kazakhstan, respectively) have been studied using electron microprobe and single-crystal X-ray diffraction methods. The empirical formulae of the samples are Ca1.01Mg0.87Mn0.11Fe2+0.02B1.99O5 and Ca0.94Mg0.91Fe2+0.10Mn0.04B2.01O5 for kurchatovite and clinokurchatovite, respectively. The crystal structures of the two minerals are similar and based upon two-dimensional blocks arranged parallel to the c axis in kurchatovite and parallel to the a axis in clinokurchatovite. The blocks are built up from diborate B2O5 groups, and Ca2+ and Mg2+ cations in seven- and six-fold coordination, respectively. Detailed analysis of geometrical parameters of the adjacent blocks reveals that symmetrically different diborate groups have different degrees of conformation in terms of the δ angles between the planes of two BO3 triangles sharing a common O atom, featuring two discrete sets of the δ values of ca. 55° (B’ blocks) and 34° (B” blocks). The stacking of the blocks in clinokurchatovite can be presented as …(+B’)(+B”)(+B’)(+B”)… or [(+B’)(+B”)], whereas in kurchatovite it is more complex and corresponds to the sequence …(+B’)(+B”)(+B’)(−B’)(−B”)(−B’)(+B’)(+B”)(+B’)(−B’)(−B”)(−B’)… or [(+B’)(+B”)(+B’)(−B’)(−B”)(−B’)]. The B’:B” ratios for clinokurchatovite and kurchatovite are 1:1 and 2:1, respectively. According to this description, the two minerals cannot be considered as polytypes and their mutual relationship corresponds to the term modular polymorphs. From the viewpoint of information-based measures of structural complexity, clinokurchatovite (IG = 4.170 bits/atom and IG,total = 300.235 bits/cell) is structurally simpler than kurchatovite (IG = 4.755 bits/atom and IG,total = 1027.056 bits/cell). The high structural complexity of kurchatovite can be inferred from the modular character of its structure. The analysis of structural combinatorics in terms of the modular approach allows to construct the whole family of theoretically possible “kurchatovite”-type structures that bear the same structural features common for kurchatovite and clinokurchatovite. However, the crystal structures of the latter minerals are the simplest and are the only ones that have been observed in nature. The absence of other possible structures is remarkable and can be explained by either the maximum-entropy of the least-action fundamental principles.

Highlights

  • Kurchatovite and clinokurchatovite are rare anhydrous Ca-Mg borates reported in skarns from several localities in Russia, Kazakhstan, Afghanistan and Japan [1,2,3,4].Kurchatovite was discovered in a vesuvianite-garnet calc-silicate skarn in the Solongo boron and iron deposit, Buryatia (Siberia, Russia), in close association with sphalerite, magnetite and turneaurite-johnbaumite series arsenates [1,5,6]

  • The aim of the present paper is to report on the results of crystal-structure studies of kurchatovite and clinokurchatovite, to analyze their structural relations from the viewpoint of the concepts of polymorphism and polytypism, and to examine the validity of the two minerals as separate mineral species in the frame of actual approach accepted in mineral nomenclature

  • While the crystal structures structures cannot be obtained from one another by changing the stacking sequence. It is of kurchatovite and clinokurchatovite conform to the first requirement, that is, they are built up from possible to obtain the crystal structure of kurchatovite from that of clinokurchatovite by the layers offollowing the samesequence kind, they do not conform to the second requirement, since the two structures cannot of operations: (a) splitting the structure of the latter into modules consisting of be obtained from one another changing the stacking is possible to obtain the three 6 Å-blocks having the

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Summary

Introduction

Kurchatovite was discovered in a vesuvianite-garnet calc-silicate skarn in the Solongo boron and iron deposit, Buryatia (Siberia, Russia), in close association with sphalerite, magnetite and turneaurite-johnbaumite series arsenates [1,5,6]. The possibility of a monoclinic analogue was first suggested by syntheses [8] and presence of twins [9,10,11], and subsequently confirmed by single-crystal studies and crystal-structure refinements of synthetic and natural material, including a synthetic Ca-Mn analogue [7,12,13,14,15], eventually leading to the formal description of clinokurchatovite as a new mineral [16]. Other reliably reported localities of clinokurchatovite are the Novofrolovskoe copper deposit, Northern Urals, and the Titovskoe boron deposit, Polar Yakutia, Siberia, both in Russia [1]

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