Crystallography Open Database

Information card for entry 4120528

4120527 << 4120528 >> 4120529

Preview

Coordinates	4120528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Ca0.73 Fe Pr0.27
Calculated formula	As2 Ca0.73 Fe Pr0.2702
Title of publication	A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.
Authors of publication	Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	3
Pages of publication	846 - 849
a	3.9163 ± 0.0008 Å
b	3.8953 ± 0.0007 Å
c	10.311 ± 0.003 Å
α	90°
β	90.788 ± 0.008°
γ	90°
Cell volume	157.28 ± 0.06 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.157
Goodness-of-fit parameter for significantly intense reflections	6.15
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120528.cif
106554	2014-03-15	cif/ Adding structures of 4120528 via cif-deposit CGI script.	4120528.cif