Crystallography Open Database

Information card for entry 7063991

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Coordinates	7063991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Mo5 O16
Calculated formula	Ba Mo5 O16
Title of publication	A new ultraviolet-transparent molybdate featuring a layered structure and moderate birefringence
Authors of publication	Du, Shiyu; Zhang, Paipai; Liu, Haozhen; An, Donghai; Chen, Yanna
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	40
Pages of publication	17561 - 17567
a	18.321 ± 0.013 Å
b	5.648 ± 0.004 Å
c	14.128 ± 0.01 Å
α	90°
β	123.76 ± 0.007°
γ	90°
Cell volume	1215.4 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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