Crystallography Open Database

Information card for entry 4003056

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Coordinates	4003056.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	Cd2Nb2O6.3S0.7
Formula	Cd Nb O3.14 S0.36
Calculated formula	Cd Nb O3.1405 S0.3595
Title of publication	Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx
Authors of publication	Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	18
Pages of publication	7626
a	10.570977 ± 0.000003 Å
b	10.570977 ± 0.000003 Å
c	10.570977 ± 0.000003 Å
α	90°
β	90°
γ	90°
Cell volume	1181.26 ± 0.0006 Å³
Cell temperature	440 K
Ambient diffraction temperature	440 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Goodness-of-fit parameter for all reflections	1.12
Method of determination	powder diffraction
Diffraction radiation wavelength	0.413781 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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