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X-Ray Diffraction and Nuclear Quadrupole Resonance Studies of Chromium Trichloride
Abstract
The infinite-layer compound CrCl3 is found to undergo a first-order phase transformation near 240°K. The crystal structures of the high- and low-temperature phases have been elucidated by detailed x-ray diffraction and 35Cl nuclear quadrupole resonance studies. The previously reported structure for CrCl3 is shown to be incorrect. The present single-crystal diffraction results at 298° and 225°K give monoclinic (C2/m: a0=5.959 Å, b0=10.321, c0=6.114 Å, β=108.49°) and rhombohedral (R3̄: a0=5.942 Å, c0=17.333 Å) structures, respectively. The 35Cl quadrupole resonance frequencies, measured in polycrystalline samples, have been compared with results of field-gradient calculations based on the ionic point-charge model. The ionic contribution accounts for a large fraction of the total gradient making it impossible to evaluate the covalency parameters of the Cr–Cl bonds from the measured quadrupole coupling constants.
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Citations
Cited by
Zhang, W.-B., Qu, Q., Zhu, P., & Lam, C.-H. (2015) · Journal of Materials Chemistry C · doi:10.1039/c5tc02840j · Cited by 733
Monoclinic crystal structure ofα−RuCl3and the zigzag antiferromagnetic ground state
Johnson, R. D., Williams, S. C., Haghighirad, A. A., Singleton, J., Zapf, V., Manuel, P., Mazin, I. I., Li, Y., Jeschke, H. O., Valentí, R., et al. (2015) · Physical Review B · doi:10.1103/physrevb.92.235119 · Cited by 512
Emergent phenomena and proximity effects in two-dimensional magnets and heterostructures
Huang, B., McGuire, M. A., May, A. F., Xiao, D., Jarillo-Herrero, P., & Xu, X. (2020) · Nature Materials · doi:10.1038/s41563-020-0791-8 · Cited by 396
Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered CrCl3 crystals
McGuire, M. A., Clark, G., KC, S., Chance, W. M., Jellison, G. E., Cooper, V. R., Xu, X., & Sales, B. C. (2017) · Physical Review Materials · doi:10.1103/physrevmaterials.1.014001 · Cited by 319
Successive magnetic phase transitions inα−RuCl3: XY-like frustrated magnet on the honeycomb lattice
Kubota, Y., Tanaka, H., Ono, T., Narumi, Y., & Kindo, K. (2015) · Physical Review B · doi:10.1103/physrevb.91.094422 · Cited by 317
Metadata
- Authors
- Morosin, B., & Narath, A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1964-04-01
- Volume
- 40
- Issue
- 7
- Pages
- 1958-1967
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2046856822
- Cited by
- 212
- References
- 0
- FWCI
- 7.34
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: X-Ray Diffraction and Nuclear Quadrupole Resonance Studies of Chromium Trichloride. https://app.cochat.ai/papers/10.1063/1.1725428
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- Morosin, B., & Narath, A. (1964). X-Ray Diffraction and Nuclear Quadrupole Resonance Studies of Chromium Trichloride. The Journal of Chemical Physics. https://doi.org/10.1063/1.1725428
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