Crystallography Open Database

Information card for entry 1569813

Preview

Coordinates	1569813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49
Calculated formula	Al6 B3 Ca0.543 F0.586 H3 Li2.328 Mn0.672 Na0.457 Oi30.3961 Si6
Title of publication	Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar
Authors of publication	Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	8
Pages of publication	1290
a	15.8313 ± 0.0002 Å
b	15.8313 ± 0.0002 Å
c	7.104 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	1541.94 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	10
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
286230 (current)	2023-09-06	cif/ Adding structures of 1569813 via cif-deposit CGI script.	1569813.cif