Crystallography Open Database

Information card for entry 7135945

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Coordinates	7135945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H5 Mo2 O11 Zn2.503
Calculated formula	H4.9998 Mo2 O11 Zn2.5026
Title of publication	Zn3-xH2x(OH)2(MoO4)2•H2O: A crystallographically accurate Φy-type structure of “Zn5Mo2O11•5H2O”
Authors of publication	Smith, Paul F.; Kiesewetter, Logan; Odle, Cheyann Jean; Collaboration, The smSFX; Pham, Joyce
Journal of publication	Chemical Communications
Year of publication	2026
a	6.14252 ± 0.00024 Å
b	6.14252 Å
c	21.5889 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	705.43 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Weighted residual factors for significantly intense reflections	0.02374
RFsqd	0.10665
Goodness-of-fit parameter for all reflections	2.145
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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