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Title: Crystal structure of new synthetic Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x})[B{sub 3}{sup t}B{sub 2}{sup {delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3})

Abstract

New Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x}) [B{sub 3}{sup t}B{sub 2}{sup {Delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3}) crystals (x {approx} 0.4) have been synthesized by the hydrothermal method in the Ca(OH){sub 2}-H{sub 3}BO{sub 3}-Na{sub 2}CO{sub 3}-NaCl-system at t = 250 Degree-Sign C and P = 70-80 atm; the structure parameters are found to be a = 11.1848(3) Angstrom-Sign , b = 6.4727(2) Angstrom-Sign , c = 25.8181(7) Angstrom-Sign , {beta} = 96.364(3) Degree-Sign , V = 1857.60(9) Angstrom-Sign {sup 3}, sp. gr. C2/c, Z = 8, and {rho}{sub calcd} = 2.801 g/cm{sup 3} (Xcalibur S autodiffractometer (CCD), 2663 reflections with I > 2{sigma} (I), direct solution, refinement by the least-squares method in the anisotropic approximation of thermal atomic vibrations, hydrogen localization, R{sub 1} = 0.0387). The structure is based on boron-oxygen layers of pentaborate radicals 5(2{Delta} + 3T). Ca and Na polyhedra and CO{sub 3} triangles are located between the layers. A crystallochemical analysis of the new Ca,Na carbonate-borate has established its similarity to natural Na,Ca pentaborates (heidornite and tuzlaite) and synthetic Na,Ba-decaborate.

Authors:
; ; ;  [1]
  1. Moscow State University (Russian Federation)
Publication Date:
OSTI Identifier:
22054168
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 57; Journal Issue: 3; Other Information: Copyright (c) 2012 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANISOTROPY; APPROXIMATIONS; BORATES; BORIC ACID; CALCIUM HYDROXIDES; CRYSTALS; HYDROTHERMAL SYNTHESIS; LAYERS; LEAST SQUARE FIT; MONOCLINIC LATTICES; RADICALS; REFLECTION; SODIUM CARBONATES; SODIUM CHLORIDES

Citation Formats

Yamnova, N. A., E-mail: natalia-yamnova@yandex.ru, Borovikova, E Yu, Gurbanova, O A, Dimitrova, O V, and Zubkova, N V. Crystal structure of new synthetic Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x})[B{sub 3}{sup t}B{sub 2}{sup {delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3}). United States: N. p., 2012. Web. doi:10.1134/S1063774512030212.
Yamnova, N. A., E-mail: natalia-yamnova@yandex.ru, Borovikova, E Yu, Gurbanova, O A, Dimitrova, O V, & Zubkova, N V. Crystal structure of new synthetic Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x})[B{sub 3}{sup t}B{sub 2}{sup {delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3}). United States. https://doi.org/10.1134/S1063774512030212
Yamnova, N. A., E-mail: natalia-yamnova@yandex.ru, Borovikova, E Yu, Gurbanova, O A, Dimitrova, O V, and Zubkova, N V. 2012. "Crystal structure of new synthetic Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x})[B{sub 3}{sup t}B{sub 2}{sup {delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3})". United States. https://doi.org/10.1134/S1063774512030212.
@article{osti_22054168,
title = {Crystal structure of new synthetic Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x})[B{sub 3}{sup t}B{sub 2}{sup {delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3})},
author = {Yamnova, N. A., E-mail: natalia-yamnova@yandex.ru and Borovikova, E Yu and Gurbanova, O A and Dimitrova, O V and Zubkova, N V},
abstractNote = {New Ca,Na carbonate-borate Ca{sub 2}Na(Na{sub x}Ca{sub 0.5-x}) [B{sub 3}{sup t}B{sub 2}{sup {Delta}}O{sub 8}(OH)(O{sub 1-x}OH{sub x})](CO{sub 3}) crystals (x {approx} 0.4) have been synthesized by the hydrothermal method in the Ca(OH){sub 2}-H{sub 3}BO{sub 3}-Na{sub 2}CO{sub 3}-NaCl-system at t = 250 Degree-Sign C and P = 70-80 atm; the structure parameters are found to be a = 11.1848(3) Angstrom-Sign , b = 6.4727(2) Angstrom-Sign , c = 25.8181(7) Angstrom-Sign , {beta} = 96.364(3) Degree-Sign , V = 1857.60(9) Angstrom-Sign {sup 3}, sp. gr. C2/c, Z = 8, and {rho}{sub calcd} = 2.801 g/cm{sup 3} (Xcalibur S autodiffractometer (CCD), 2663 reflections with I > 2{sigma} (I), direct solution, refinement by the least-squares method in the anisotropic approximation of thermal atomic vibrations, hydrogen localization, R{sub 1} = 0.0387). The structure is based on boron-oxygen layers of pentaborate radicals 5(2{Delta} + 3T). Ca and Na polyhedra and CO{sub 3} triangles are located between the layers. A crystallochemical analysis of the new Ca,Na carbonate-borate has established its similarity to natural Na,Ca pentaborates (heidornite and tuzlaite) and synthetic Na,Ba-decaborate.},
doi = {10.1134/S1063774512030212},
url = {https://www.osti.gov/biblio/22054168}, journal = {Crystallography Reports},
issn = {1063-7745},
number = 3,
volume = 57,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2012},
month = {Tue May 15 00:00:00 EDT 2012}
}