Hydrothermal Synthesis and Structure Solution of Na2Ca(CO3)(2): 'Synthetic Analogue' of Mineral Nyerereite

Gavryushkin Pavel N.; Thomas Victor G.; Bolotina Nadezhda B.; Bakakin Vladimir V.; Golovin Alexander V.; Seryotkin Yurii V.; Fursenko Dmitry A.; Litasov Konstantin D.

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Hydrothermal Synthesis and Structure Solution of Na2Ca(CO3)(2): 'Synthetic Analogue' of Mineral Nyerereite

机译：Na2Ca（CO3）（2）的水热合成及结构溶液：矿物黑锌矿的“合成类似物”

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Crystals of Na2Ca(CO3)(2), the structural analogues of mineral nyerereite, were synthesized using hydrothermal technique at 1 kbar and 450 degrees C. The crystals are transformational twins formed at the transition from the high-temperature hexagonal modification to the low temperature orthorhombic modification. The structure was solved and refined to R = 0.059 in P2(1)ca (No. 29) space group with a = 10.0713(5) angstrom, b = 8.7220(2) angstrom, and c = 12.2460(4) angstrom. The only structural analogue of the synthesized crystal is the high-temperature modification of K2Ca(CO3)(2), which can be considered as a disordered analogue of Na2Ca(CO3)(2). Structural analogues among borates and other classes of compounds have not been found. Based on group subgroup analysis, we propose the structures of high- and intermediate-temperature modifications of Na2Ca(CO3)(2). The relations of the determined structure with other polymorphs of Na2Ca(CO3)(2) have also been considered.

机译：Na2Ca（CO3）（2）的晶体，矿物黑钠铁矿的结构类似物，是通过水热技术在1 kbar和450摄氏度下合成的。该晶体是在从高温六角形改性到低温转变的过程中形成的转变孪晶斜方晶系修饰。解决了该结构，并在a = 10.0713（5）埃，b = 8.7220（2）埃和c = 12.2460（4）埃的P2（1）ca（第29个）空间组中将其精炼为R = 0.059。合成晶体的唯一结构类似物是K2Ca（CO3）（2）的高温修饰，可以将其视为Na2Ca（CO3）（2）的无序类似物。尚未发现硼酸盐和其他类别化合物之间的结构类似物。基于组亚组分析，我们提出了Na2Ca（CO3）（2）的高温和中温改性的结构。还考虑了确定的结构与Na2Ca（CO3）（2）的其他多晶型物的关系。

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《Crystal growth & design》 |2016年第4期|共10页
作者
Gavryushkin Pavel N.; Thomas Victor G.; Bolotina Nadezhda B.; Bakakin Vladimir V.; Golovin Alexander V.; Seryotkin Yurii V.; Fursenko Dmitry A.; Litasov Konstantin D.;
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机译：Na2Ca（CO3）（2）的水热合成及结构溶液：矿物黑锌矿的“合成类似物”
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Hydrothermal Synthesis and Structure Solution of Na2Ca(CO3)(2): 'Synthetic Analogue' of Mineral Nyerereite

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