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LiB3O5 crystal structure at 20, 227 and 377 °c. / Shepelev, Yu F.; Bubnova, R. S.; Filatov, S. K.; Sennova, N. A.; Pilneva, N. A.

In: Journal of Solid State Chemistry, Vol. 178, No. 10, 01.10.2005, p. 2987-2997.

Research output: Contribution to journal › Article › peer-review

Harvard

Shepelev, YF, Bubnova, RS, Filatov, SK, Sennova, NA & Pilneva, NA 2005, 'LiB3O5 crystal structure at 20, 227 and 377 °c', Journal of Solid State Chemistry, vol. 178, no. 10, pp. 2987-2997. https://doi.org/10.1016/j.jssc.2005.06.017

APA

Shepelev, Y. F., Bubnova, R. S., Filatov, S. K., Sennova, N. A., & Pilneva, N. A. (2005). LiB3O5 crystal structure at 20, 227 and 377 °c. Journal of Solid State Chemistry, 178(10), 2987-2997. https://doi.org/10.1016/j.jssc.2005.06.017

Vancouver

Shepelev YF, Bubnova RS, Filatov SK, Sennova NA, Pilneva NA. LiB3O5 crystal structure at 20, 227 and 377 °c. Journal of Solid State Chemistry. 2005 Oct 1;178(10):2987-2997. https://doi.org/10.1016/j.jssc.2005.06.017

Author

Shepelev, Yu F. ; Bubnova, R. S. ; Filatov, S. K. ; Sennova, N. A. ; Pilneva, N. A. / LiB3O5 crystal structure at 20, 227 and 377 °c. In: Journal of Solid State Chemistry. 2005 ; Vol. 178, No. 10. pp. 2987-2997.

BibTeX

@article{f746b9e818b24501955879b0115c51a0,
title = "LiB3O5 crystal structure at 20, 227 and 377 °c",
abstract = "Crystal structure of LiB3O5 (a framework of [B 3O5]- rings and Li atoms located in interspaces) was refined at high temperatures using single-crystal X-ray diffraction, MoKα-radiation, anharmonic approximation, orthorhombic; Pna21; Z=4; 20 °C (a=8.444, b=7.378, c=5.146 {\AA}, 1411 F(hkl), R=0.022); 227 °C (a=8.616, b=7.433, c=5.063 {\AA}, 1336 F(hkl), R=0.026), 377 °C (a=8.746, b=7.480, c=5.013 {\AA}, 1193 F(hkl), R=0.035). A high mobility of Li atoms and their highly asymmetric vibrations are revealed. Ellipsoid of Li thermal vibrations is oviform. Li is shifted on heating to 0.26 {\AA} mainly along a-axis causing high thermal expansion in this direction; Li temperature factors are multiplied by 4 on heating. Rigid boron-oxygen groups in LiB3O5 remain practically stable on heating similar to α-Na2B8O13 and α-CsB 5O8. At the same time these groups rotate relative to each other like hinges leading to extremely anisotropic thermal expansion (αa=101, αb=31, αc=-71, αv=60×10-6 °C-1, 20-530 °C, HTXRPD data).",
keywords = "Anharmonic atomic vibrations, Borates, Crystal structure, HTXRPD, LiBO, Nonlinear optics, Single-crystal X-ray diffraction, Thermal behavior",
author = "Shepelev, {Yu F.} and Bubnova, {R. S.} and Filatov, {S. K.} and Sennova, {N. A.} and Pilneva, {N. A.}",
year = "2005",
month = oct,
day = "1",
doi = "10.1016/j.jssc.2005.06.017",
language = "English",
volume = "178",
pages = "2987--2997",
journal = "Journal of Solid State Chemistry",
issn = "0022-4596",
publisher = "Elsevier",
number = "10",

}

RIS

TY - JOUR

T1 - LiB3O5 crystal structure at 20, 227 and 377 °c

AU - Shepelev, Yu F.

AU - Bubnova, R. S.

AU - Filatov, S. K.

AU - Sennova, N. A.

AU - Pilneva, N. A.

PY - 2005/10/1

Y1 - 2005/10/1

N2 - Crystal structure of LiB3O5 (a framework of [B 3O5]- rings and Li atoms located in interspaces) was refined at high temperatures using single-crystal X-ray diffraction, MoKα-radiation, anharmonic approximation, orthorhombic; Pna21; Z=4; 20 °C (a=8.444, b=7.378, c=5.146 Å, 1411 F(hkl), R=0.022); 227 °C (a=8.616, b=7.433, c=5.063 Å, 1336 F(hkl), R=0.026), 377 °C (a=8.746, b=7.480, c=5.013 Å, 1193 F(hkl), R=0.035). A high mobility of Li atoms and their highly asymmetric vibrations are revealed. Ellipsoid of Li thermal vibrations is oviform. Li is shifted on heating to 0.26 Å mainly along a-axis causing high thermal expansion in this direction; Li temperature factors are multiplied by 4 on heating. Rigid boron-oxygen groups in LiB3O5 remain practically stable on heating similar to α-Na2B8O13 and α-CsB 5O8. At the same time these groups rotate relative to each other like hinges leading to extremely anisotropic thermal expansion (αa=101, αb=31, αc=-71, αv=60×10-6 °C-1, 20-530 °C, HTXRPD data).

AB - Crystal structure of LiB3O5 (a framework of [B 3O5]- rings and Li atoms located in interspaces) was refined at high temperatures using single-crystal X-ray diffraction, MoKα-radiation, anharmonic approximation, orthorhombic; Pna21; Z=4; 20 °C (a=8.444, b=7.378, c=5.146 Å, 1411 F(hkl), R=0.022); 227 °C (a=8.616, b=7.433, c=5.063 Å, 1336 F(hkl), R=0.026), 377 °C (a=8.746, b=7.480, c=5.013 Å, 1193 F(hkl), R=0.035). A high mobility of Li atoms and their highly asymmetric vibrations are revealed. Ellipsoid of Li thermal vibrations is oviform. Li is shifted on heating to 0.26 Å mainly along a-axis causing high thermal expansion in this direction; Li temperature factors are multiplied by 4 on heating. Rigid boron-oxygen groups in LiB3O5 remain practically stable on heating similar to α-Na2B8O13 and α-CsB 5O8. At the same time these groups rotate relative to each other like hinges leading to extremely anisotropic thermal expansion (αa=101, αb=31, αc=-71, αv=60×10-6 °C-1, 20-530 °C, HTXRPD data).

KW - Anharmonic atomic vibrations

KW - Borates

KW - Crystal structure

KW - HTXRPD

KW - LiBO

KW - Nonlinear optics

KW - Single-crystal X-ray diffraction

KW - Thermal behavior

UR - http://www.scopus.com/inward/record.url?scp=25644448843&partnerID=8YFLogxK

U2 - 10.1016/j.jssc.2005.06.017

DO - 10.1016/j.jssc.2005.06.017

M3 - Article

AN - SCOPUS:25644448843

VL - 178

SP - 2987

EP - 2997

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

SN - 0022-4596

IS - 10

ER -

ID: 53951020