Crystallography Open Database

Information card for entry 7707609

Preview

Coordinates	7707609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Nb O4 Sm
Calculated formula	Nb O4 Sm
Title of publication	Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.
Authors of publication	Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	26
Pages of publication	9103 - 9117
a	5.420642 ± 0.000006 Å
b	11.175429 ± 0.000014 Å
c	5.119937 ± 0.000006 Å
α	90°
β	94.6778 ± 0.0001°
γ	90°
Cell volume	309.122 ± 0.0006 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
RFsqd	0.04827
Goodness-of-fit parameter for all reflections	3.6
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.687514 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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