Crystallography Open Database

Information card for entry 7701072

Preview

Coordinates	7701072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 Cs Li3 Ni O12
Calculated formula	C6 Cs Li3 Ni O12
Title of publication	Perovzalates: a family of perovskite-related oxalates.
Authors of publication	Clulow, Rebecca; Bradford, Alasdair J.; Lee, Stephen L.; Lightfoot, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	38
Pages of publication	14461 - 14466
a	11.4908 ± 0.0008 Å
b	11.4908 ± 0.0008 Å
c	15.1534 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1732.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224565 (current)	2019-11-08	cif/ Updating files of 7701065, 7701066, 7701067, 7701068, 7701069, 7701070, 7701071, 7701072 Original log message: Adding full bibliography for 7701065--7701072.cif.	7701072.cif
218059	2019-09-07	cif/ Adding structures of 7701065, 7701066, 7701067, 7701068, 7701069, 7701070, 7701071, 7701072 via cif-deposit CGI script.	7701072.cif