Crystallography Open Database

Information card for entry 4127110

Preview

Coordinates	4127110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Am Cr2 Cs O8
Calculated formula	Am Cr2 Cs O8
Title of publication	Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.
Authors of publication	Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
a	5.8341 ± 0.0014 Å
b	7.2548 ± 0.0017 Å
c	9.786 ± 0.002 Å
α	73.026 ± 0.004°
β	88.581 ± 0.005°
γ	81.081 ± 0.005°
Cell volume	391.27 ± 0.15 Å³
Cell temperature	131 ± 2 K
Ambient diffraction temperature	131 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205917 (current)	2018-01-31	cif/ Adding structures of 4127110, 4127111, 4127112, 4127113, 4127114, 4127115, 4127116 via cif-deposit CGI script.	4127110.cif