Crystallography Open Database

Information card for entry 3000054

Preview

No preview available: structure is on hold until 2016-09-01

Coordinates	Coordinates are not available: structure is on hold until 2016-09-01

Structure parameters

Formula	Al6 Ca0.92 Cl1.02 Na7.21 O24 S4.82 Si6
Title of publication	Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions
Authors of publication	Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova
Journal of publication	To be published in Mineralogical Magazine
a	12.8527 ± 0.0006 Å
b	12.8527 ± 0.0006 Å
c	10.6907 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1529.42 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for all reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0348
Weighted residual factors for all reflections included in the refinement	0.0345
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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