Hostname: page-component-586b7cd67f-vdxz6 Total loading time: 0 Render date: 2024-11-29T22:23:58.136Z Has data issue: false hasContentIssue false

New X-ray powder diffraction data for two triborates CsB3O5(CBO) and TlB3O5(TBO)

Published online by Cambridge University Press:  10 January 2013

M. Touboul*
Affiliation:
Laboratoire de Réactivité et de Chimie des Solides, UPRES-A 6007, UPJV, 33 rue Saint-Leu, 80039 Amiens Cedex, France
N. Pénin
Affiliation:
Laboratoire de Réactivité et de Chimie des Solides, UPRES-A 6007, UPJV, 33 rue Saint-Leu, 80039 Amiens Cedex, France
L. Seguin
Affiliation:
Laboratoire de Réactivité et de Chimie des Solides, UPRES-A 6007, UPJV, 33 rue Saint-Leu, 80039 Amiens Cedex, France
*
a)Author to whom all correspondence should be addressed; electronic mail: [email protected]

Abstract

Precise X-ray powder diffraction patterns of two isostructural triborates, CsB3O5(CBO) and TlB3O5(TBO), have been collected on a D5000 diffractometer with a primary monochromated beam (λ CuKα1=1.5406 Å). Refinement of indexed reflections in the space group P212121 led to: a=6.201(1) Å, b=8.514(2) Å, c=9.176(2) Å, Z=4, Dx=3.363 for CBO and a=5.2156(4) Å, b=8.2659(6) Å, c=10.2240(9) Å, Z=4, Dx=4.773 for TBO. The Smith–Snyder figures of merit are F30=53.0 (0.0101, 56) for CBO and F30=112.9 (0.0074, 36) for TBO. These values are much better than the previous ones published in Powder Diffraction File.

Type
Research Article
Copyright
Copyright © Cambridge University Press 1999

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Aka, G., Kahn-Harari, A., Vivien, D., Benitez, J. M., Salin, F., and Godard, J. (1996). “A New Nonlinear and Neodynium Laser Self-frequency Doubling Crystal with Congruent Melting: Ca 4(GdO(BO 3)3 (GdCOB),” Eur. J. Solid State Inorg. Chem. 33, 727736.Google Scholar
Chen, C., Wu, Y., Jiang, A., Wu, B., You, G., Li, R., and Lin, S. (1989). “New Non-Linear-optical Crystal, Lithium Borate LiB 3O 5,J. Opt. Soc. Am. B 6, 616618.Google Scholar
de Wolf, P. M. (1968). “A Simplified Criterion for the Reliability of a Powder Pattern Indexing,” J. Appl. Crystallogr. 1, 108113.Google Scholar
Keszler, D. A., Akella, A., Schaffers, K. I., and Alekel, T. III (1994). “New Borates Structures for NLO Applications,” Mater. Res. Soc. Symp. Proc. 329, 1522.Google Scholar
Kocher, J. (1964). “Etude du système binaire B 2O 3Cs 2O,” Comptes Rendus Acad. Sci. Paris C 258, 40624064.Google Scholar
Krogh-Moë, J. (1974). “Refinement of the Crystal Structure of Caesium Triborate, Cs 2O.3B 2O 3,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 30, 11781180.Google Scholar
Marlor, A. J., Bergeron, C. G., and Kumar, H. S. A. (1974). “X-ray Diffraction Data and Enthalpy of Fusion for Cs 2B 6O 10,” J. Am. Ceram. Soc. 57, 233.Google Scholar
Mori, Y., Kuroda, I., Nakajima, S., Taguchi, A., Sasaki, T., and Nakai, S. (1995). “Growth of a Non-linear Optical Crystal: Cesium Lithium Borate,” J. Cryst. Growth 156, 307309.CrossRefGoogle Scholar
Smith, G. S., and Snyder, R. L. (1979). “F N: A Criterion for Rating Powder Diffraction Patterns and Evaluating the Reliability of Powder Pattern Indexing,” J. Appl. Crystallogr. 12, 6065.CrossRefGoogle Scholar
Smith, R. W., and Keszler, D. A. (1997). “Synthesis, Structure and Properties of the Noncentrosymmetric Pyroborate BaCuB 2O 5,” J. Solid State Chem. 129, 184188.Google Scholar
Snyder, R. L. (1983). “Accuracy in Angle and Intensity Measurements in X-ray Powder Diffraction,” Adv. X-Ray Anal. 26, 110.Google Scholar
Touboul, M., Bétourné, E., and Nowogrocki, G. (1997). “Crystal Structure of Thallium Triborate, TlB 3O 5,” J. Solid State Chem. 131, 370373.CrossRefGoogle Scholar
Touboul, M. (1971). “Sur les Borates de Thallium I,” Rev. Chim. Miner. 8, 347384.Google Scholar
Tu, J. M., and Keszler, D. A. (1995). “CsLiB 6O 10: a Non-centrosymmetric Polyborate,” Mater. Res. Bull. 30, 209215.Google Scholar
Wu, Y., Sasaki, T., Nakai, S., Yokotani, A., Tang, H., and Chen, C. (1993). “CsB 3O 5: A New Nonlinear Optical Crystal,” Appl. Phys. Lett. 62, 26142615.Google Scholar
Xia, Y., Chen, C, Tang, D., and Wu, B. (1995). “New Non-linear Optical Crystals for UV and VUV Harmonic Generation,” Adv. Mater. 7, 7981.Google Scholar
Yvon, K., Jeitschko, and Parthé, W. E. (1997). “LAZY PULVERIX, a Computer Program for Calculating X-Ray and Neutron Diffraction Powder Patterns,” J. Appl. Crystallogr. 10, 7374.CrossRefGoogle Scholar