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Title: Crystal structures and comparisons of huntite aluminum borates REAl3(BO3)4 (RE = Tb, Dy and Ho)

Abstract

Three huntite-type aluminoborates of stoichiometry REAl3(BO3)4 (RE = Tb, Dy and Ho), namely, terbium/dysprosium/holmium trialuminium tetrakis(borate), were synthesized by slow cooling within a K2Mo3O10 flux with spontaneous crystallization. The crystal structures were determined using single-crystal X-ray diffraction (SC-XRD) data. The synthesized borates are isostructural to the huntite [CaMg3(CO3)4] structure and crystallized within the trigonal R32 space group. The structural parameters were compared to literature data of other huntite REAl3(BO3)4 crystals within the R32 space group. All three borates fit well into the trends calculated from the literature data. The unit-cell parameters and volumes increase linearly with larger RE cations whereas the densities decrease. All of the crystals studied were refined as inversion twins.

Authors:
 [1]; ORCiD logo [1];  [1];  [2]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  2. Univ. of Notre Dame, IN (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1607681
Report Number(s):
PNNL-SA-150573
Journal ID: ISSN 2056-9890; ACSECI
Grant/Contract Number:  
AC05-76RL01830
Resource Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section E, Crystallographic Communications
Additional Journal Information:
Journal Volume: 76; Journal Issue: 3; Journal ID: ISSN 2056-9890
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; huntite borate; lanthanide aluminum borate; single-crystal XRD

Citation Formats

Chong, Saehwa, Riley, Brian J., Nelson, Zayne J., and Perry, Samuel. Crystal structures and comparisons of huntite aluminum borates REAl3(BO3)4 (RE = Tb, Dy and Ho). United States: N. p., 2020. Web. https://doi.org/10.1107/S2056989020001802.
Chong, Saehwa, Riley, Brian J., Nelson, Zayne J., & Perry, Samuel. Crystal structures and comparisons of huntite aluminum borates REAl3(BO3)4 (RE = Tb, Dy and Ho). United States. https://doi.org/10.1107/S2056989020001802
Chong, Saehwa, Riley, Brian J., Nelson, Zayne J., and Perry, Samuel. Fri . "Crystal structures and comparisons of huntite aluminum borates REAl3(BO3)4 (RE = Tb, Dy and Ho)". United States. https://doi.org/10.1107/S2056989020001802. https://www.osti.gov/servlets/purl/1607681.
@article{osti_1607681,
title = {Crystal structures and comparisons of huntite aluminum borates REAl3(BO3)4 (RE = Tb, Dy and Ho)},
author = {Chong, Saehwa and Riley, Brian J. and Nelson, Zayne J. and Perry, Samuel},
abstractNote = {Three huntite-type aluminoborates of stoichiometry REAl3(BO3)4 (RE = Tb, Dy and Ho), namely, terbium/dysprosium/holmium trialuminium tetrakis(borate), were synthesized by slow cooling within a K2Mo3O10 flux with spontaneous crystallization. The crystal structures were determined using single-crystal X-ray diffraction (SC-XRD) data. The synthesized borates are isostructural to the huntite [CaMg3(CO3)4] structure and crystallized within the trigonal R32 space group. The structural parameters were compared to literature data of other huntite REAl3(BO3)4 crystals within the R32 space group. All three borates fit well into the trends calculated from the literature data. The unit-cell parameters and volumes increase linearly with larger RE cations whereas the densities decrease. All of the crystals studied were refined as inversion twins.},
doi = {10.1107/S2056989020001802},
journal = {Acta Crystallographica. Section E, Crystallographic Communications},
number = 3,
volume = 76,
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Crystallochemical Design of Huntite-Family Compounds
journal, February 2019

  • Kuz’micheva, Galina; Kaurova, Irina; Rybakov, Victor
  • Crystals, Vol. 9, Issue 2
  • DOI: 10.3390/cryst9020100

Crystal growth and laser properties of new RAl3(BO3)4 (R=Yb,Er) crystals
journal, September 2007


Giant magnetoelectric effect in HoAl 3 (BO 3 ) 4
journal, May 2011


Rietveld refinement for yttrium aluminium borates from neutron- and X-ray diffraction
journal, March 2000


Acousto-optic Q-switched self-frequency-doubling Er:  Yb:  YAl_3(BO_3)_4 laser at 800 nm
journal, January 2012

  • Chen, Yujin; Lin, Yanfu; Gong, Xinghong
  • Optics Letters, Vol. 37, Issue 9
  • DOI: 10.1364/OL.37.001565

Magnetoelectricity in the system RAl 3 ( BO 3 ) 4 ( R = Tb, Ho, Er, Tm)
journal, December 2012


Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
journal, January 2015

  • Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.
  • Journal of Applied Crystallography, Vol. 48, Issue 1
  • DOI: 10.1107/S1600576714022985

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976


Growth and spectroscopic properties of rare-earth doped YAl3(BO3)4 single crystals
journal, May 2003


Growth of ErAl 3 (BO 3 ) 4 Single Crystals from a K 2 Mo 3 O 10 Flux
journal, August 2006

  • Teshima, Katsuya; Kikuchi, Yuichiro; Suzuki, Takaomi
  • Crystal Growth & Design, Vol. 6, Issue 8
  • DOI: 10.1021/cg050631a

Growth and characterization of RM3(BO3)4 crystals
journal, January 1995

  • Leonyuk, N. I.; Leonyuk, L. I.
  • Progress in Crystal Growth and Characterization of Materials, Vol. 31, Issue 3-4
  • DOI: 10.1016/0960-8974(96)83730-2

EPR spectra of Cr 3+ ion in the Van Vleck paramagnet EuAl 3 (BO 3 ) 4
journal, January 2013

  • Prokhorov, A. D.; Zubov, E. E.; Prokhorov, A. A.
  • physica status solidi (b), Vol. 250, Issue 7
  • DOI: 10.1002/pssb.201248571

Flux growth of (Y,RE)Al3(BO3)4 solid solutions (RE=Nd, Gd, Ho, Yb, Lu)
journal, April 2000


Top-seeded growth of Nd: YAI3(BO3)4 from high temperature solution
journal, February 1995


SUPERFLIP – a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
journal, July 2007


VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011


High temperature synthesis and crystal structure of new representatives of the huntite family
journal, February 2008

  • Plachinda, P. A.; Belokoneva, E. L.
  • Crystal Research and Technology, Vol. 43, Issue 2
  • DOI: 10.1002/crat.200711071

Crystal structure and single-crystal spectra of Gd(Eu)Al 3 (BO 3 ) 4 . Anisotropic ligand polarization contributions to the ƒ–ƒ transition probabilities in Eu III
journal, January 1981

  • Kuroda, Reiko; Mason, Stephen F.; Rosini, Carlo
  • J. Chem. Soc., Faraday Trans. 2, Vol. 77, Issue 11
  • DOI: 10.1039/F29817702125

Neutron diffraction structure study of Er and Yb doped YAl3(BO3)4
journal, June 2012


The growing of Nd3+: GdAl3(BO3)4 crystals
journal, January 1994

  • Tu, Chaoyang; Luo, Zundu; Chen, Guang
  • Crystal Research and Technology, Vol. 29, Issue 3
  • DOI: 10.1002/crat.2170290335

Crystal growth of solid solutions based on the YAl3(BO3)4, NdAl3(BO3)4 and GdAl3(BO3)4 borates
journal, July 1998


Structure of β-NdAl3(BO3)4(NAB) crystal
journal, October 1991


Preparation of Some Rare-Earth Borates ( R , B i )( A l , G a ) 3 ( B O 3 ) 4 with Huntite Structure by Flux Method
journal, January 1994

  • Chani, Valery I.; Shimamura, Kiyoshi; Inoue, Keiji
  • Japanese Journal of Applied Physics, Vol. 33, Issue Part 1, No.1A
  • DOI: 10.1143/JJAP.33.247

Crystal structure of Yal3[BO3]4
journal, January 1981

  • Belokoneva, E. L.; Azizov, A. V.; Leonyuk, N. I.
  • Journal of Structural Chemistry, Vol. 22, Issue 3
  • DOI: 10.1007/BF00747537

Synthesis of Gd1−xTbxAl3(BO3)4 (0.05⩽x⩽1) and its luminescence properties under VUV excitation
journal, January 2007


publCIF : software for editing, validating and formatting crystallographic information files
journal, June 2010


Spectroscopic properties of ErAl3(BO3)4 single crystal
journal, January 2014


Crystal growth and optical characterisation of Cr3+-doped YAl3(BO3)4
journal, August 1995


Crystal structure and fluorescence lifetime of NdAl3(BO3)4, a promising laser material
journal, December 1974


Crystallographic Data for New Rare Earth Borate Compounds, RX 3 (BO 3 ) 4
journal, November 1962