Crystallography Open Database

Information card for entry 1101224

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Coordinates	1101224.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium molybdenum tellurium oxide
Formula	Mo3 Na2 O16 Te3
Calculated formula	Mo3 Na2 O16 Te3
SMILES	[Te]O[Mo]12(=O)(=O)O[Te]O[Mo](O[Te]O1)(O[Mo](O2)(=O)=O)(=O)(=O)O[Te]O[Mo]34(=O)(=O)O[Te]O[Mo](O[Te]O3)(O[Mo](O4)(=O)=O)(=O)(=O)[O].[Na+].[Na+].[Na+].[Na+].O.O.O.O
Title of publication	Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties
Authors of publication	Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	8
Pages of publication	2070 - 2074
a	7.3373 ± 0.001 Å
b	11.2668 ± 0.0016 Å
c	8.2369 ± 0.0018 Å
α	90°
β	97.387 ± 0.003°
γ	90°
Cell volume	675.3 ± 0.2 Å³
Cell temperature	293 ± 0.2 K
Ambient diffraction temperature	293 ± 0.2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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