Crystallography Open Database

Information card for entry 2104036

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Structure parameters

Formula	Na O6 Si2 Ti
Calculated formula	Na O6 Si2 Ti
Title of publication	Single-crystal structure refinement of NaTiSi~2~O~6~ clinopyroxene at low temperatures (298<<i>T</i><100K)
Authors of publication	Redhammer, Günther J.; Ohashi, Haruo; Roth, Georg
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	6
Pages of publication	730 - 746
a	9.708 ± 0.003 Å
b	8.8718 ± 0.0015 Å
c	5.3014 ± 0.0014 Å
α	90°
β	106.83 ± 0.02°
γ	90°
Cell volume	437 ± 0.2 Å³
Cell temperature	200 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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