Crystallography Open Database

Information card for entry 2103468

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Structure parameters

Formula	Al2 Mn3 O12 Si3
Calculated formula	Al2 Mn3 O12 Si3
Title of publication	Atomic displacement parameters for spessartine Mn~3~Al~2~Si~3~O~12~ and their lattice-dynamical interpretation
Authors of publication	Gramaccioli, Carlo Maria; Pilati, Tullio; Demartin, Francesco
Journal of publication	Acta Crystallographica Section B
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	965 - 969
a	11.63 ± 0.001 Å
b	11.63 ± 0.001 Å
c	11.63 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1573 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	273 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.013
Weighted residual factors for significantly intense reflections	0.016
Goodness-of-fit parameter for all reflections	0.652
Goodness-of-fit parameter for significantly intense reflections	0.84
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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