Crystallography Open Database

Information card for entry 1560195

Preview

Coordinates	1560195.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tlapallite
Formula	Ca1.81 Cu3 H3 O20.5 Pb0.19 S Sb0.13 Te4.87
Calculated formula	Ca1.8065 Cu3 H3 O20.5 Pb0.1935 S Sb0.1339 Te4.8661
Title of publication	The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8
Authors of publication	Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris
Journal of publication	Mineralogical Magazine
Year of publication	2019
Journal volume	83
Pages of publication	439 - 549
a	9.1219 ± 0.0017 Å
b	9.1219 ± 0.0017 Å
c	11.932 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	859.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
261187 (current)	2021-01-25	cif/ Adding structures of 1560195 via cif-deposit CGI script.	1560195.cif