The crystal structure of La1 - xRh3B2

H. C. Ku, L. J. Ma, M. F. Tai, Y. Wang, H. E. Horng

Research output: Contribution to journalArticle

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Abstract

The crystal structure of La1 - xRh3B2 has been determined by single-crystal X-ray analysis; La0.81Rh3B2 crystallizes in the hexagonal space group P6/mmm (D6h1) with lattice parameters a = 5.642(1) A ̊, c = 8.546(2) A ̊, Z = 3, Dx = 9.37 g cm-3, Dm = 9.49 g cm-3. Intensity measurements were obtained using a four-circle diffractometer. The structure was refined by full-matrix least-square calculation. The final R value, R = Σ|ΔF|/Σ|Fo|, is 0.054 for an asymmetric set of 536 independent reflections. The crystal structure is a disordered superstructure (vacancy distorted) of the LaRh3B2 phase with the CeCo3B2-type structure (a = 5.480 A ̊, c = 3.137 A ̊). The coordination numbers of lanthanum are (1.6La) + 12Rh + 6B and those of rhodium atoms (3.2La) + 6Rh + 4B. The isolated boron atoms have tetrakaidekahedral metal coordination (2.4La) + 6Rh; no boron-boron contact occurs. Four new ternary rhodium borides with this disordered La1 - xRh3B2-type structure are reported with the general formula RE1 - xRh3B2 (x = 0.5; RE = La, Ce, Pr or Nd) through powder X-ray diffraction study. The relation between structural chemistry and physical properties (superconductivity, ferromagnetism, valence fluctuation) is discussed.

Original languageEnglish
Pages (from-to)219-228
Number of pages10
JournalJournal of The Less-Common Metals
Volume109
Issue number2
DOIs
Publication statusPublished - 1985 Jul 15

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Boron
Rhodium
Crystal structure
Boron Compounds
Lanthanum
Atoms
Borides
Ferromagnetism
X ray analysis
Diffractometers
Superconductivity
X ray powder diffraction
Lattice constants
Vacancies
Physical properties
Metals
Single crystals

ASJC Scopus subject areas

  • Engineering(all)

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The crystal structure of La1 - xRh3B2. / Ku, H. C.; Ma, L. J.; Tai, M. F.; Wang, Y.; Horng, H. E.

In: Journal of The Less-Common Metals, Vol. 109, No. 2, 15.07.1985, p. 219-228.

Research output: Contribution to journalArticle

Ku, H. C. ; Ma, L. J. ; Tai, M. F. ; Wang, Y. ; Horng, H. E. / The crystal structure of La1 - xRh3B2. In: Journal of The Less-Common Metals. 1985 ; Vol. 109, No. 2. pp. 219-228.
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N2 - The crystal structure of La1 - xRh3B2 has been determined by single-crystal X-ray analysis; La0.81Rh3B2 crystallizes in the hexagonal space group P6/mmm (D6h1) with lattice parameters a = 5.642(1) A ̊, c = 8.546(2) A ̊, Z = 3, Dx = 9.37 g cm-3, Dm = 9.49 g cm-3. Intensity measurements were obtained using a four-circle diffractometer. The structure was refined by full-matrix least-square calculation. The final R value, R = Σ|ΔF|/Σ|Fo|, is 0.054 for an asymmetric set of 536 independent reflections. The crystal structure is a disordered superstructure (vacancy distorted) of the LaRh3B2 phase with the CeCo3B2-type structure (a = 5.480 A ̊, c = 3.137 A ̊). The coordination numbers of lanthanum are (1.6La) + 12Rh + 6B and those of rhodium atoms (3.2La) + 6Rh + 4B. The isolated boron atoms have tetrakaidekahedral metal coordination (2.4La) + 6Rh; no boron-boron contact occurs. Four new ternary rhodium borides with this disordered La1 - xRh3B2-type structure are reported with the general formula RE1 - xRh3B2 (x = 0.5; RE = La, Ce, Pr or Nd) through powder X-ray diffraction study. The relation between structural chemistry and physical properties (superconductivity, ferromagnetism, valence fluctuation) is discussed.

AB - The crystal structure of La1 - xRh3B2 has been determined by single-crystal X-ray analysis; La0.81Rh3B2 crystallizes in the hexagonal space group P6/mmm (D6h1) with lattice parameters a = 5.642(1) A ̊, c = 8.546(2) A ̊, Z = 3, Dx = 9.37 g cm-3, Dm = 9.49 g cm-3. Intensity measurements were obtained using a four-circle diffractometer. The structure was refined by full-matrix least-square calculation. The final R value, R = Σ|ΔF|/Σ|Fo|, is 0.054 for an asymmetric set of 536 independent reflections. The crystal structure is a disordered superstructure (vacancy distorted) of the LaRh3B2 phase with the CeCo3B2-type structure (a = 5.480 A ̊, c = 3.137 A ̊). The coordination numbers of lanthanum are (1.6La) + 12Rh + 6B and those of rhodium atoms (3.2La) + 6Rh + 4B. The isolated boron atoms have tetrakaidekahedral metal coordination (2.4La) + 6Rh; no boron-boron contact occurs. Four new ternary rhodium borides with this disordered La1 - xRh3B2-type structure are reported with the general formula RE1 - xRh3B2 (x = 0.5; RE = La, Ce, Pr or Nd) through powder X-ray diffraction study. The relation between structural chemistry and physical properties (superconductivity, ferromagnetism, valence fluctuation) is discussed.

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