Issue 38, 2021

High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4

Abstract

A new non-centrosymmetric K2Ca3(CO3)4 crystal (P212121, a = 7.3905(2) Å, b = 8.8156(3) Å, c = 16.4817(5) Å) was synthesized in a multi-anvil press at a pressure of 3 GPa and temperature of 975 °C. The compound is homeotypic to A3B2(BO3)4 (A = Ca, Sr, Ba; B = REE, Y, Bi) orthoborates with the Pnma symmetry, but is characterized by the non-centrosymmetric arrangement of (CO3) anions within the Pnma-pseudosymmetric cation sublattice. K2Ca3(CO3)4 represents a pure carbonate member of the extended M5(XO3)4 (X = B, C, B/C) structural type, which also includes A3B2(BO3)4 orthoborates as well as recently synthesized mixed orthoborate–carbonates of Ba and Sr. Crystallochemical considerations suggest that cation-substituted (REE, Cs, Sr, and Ba) derivatives of K2Ca3(CO3)4 can probably be synthesized at significantly lower pressures than 3 GPa, which is required to stabilize the compound itself.

Graphical abstract: High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4

Supplementary files

Article information

Article type
Paper
Submitted
04 ጁላይ 2021
Accepted
01 ሴፕቴ 2021
First published
01 ሴፕቴ 2021

CrystEngComm, 2021,23, 6675-6681

High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4

S. V. Rashchenko, A. F. Shatskiy, M. A. Ignatov, A. V. Arefiev and K. D. Litasov, CrystEngComm, 2021, 23, 6675 DOI: 10.1039/D1CE00882J

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