Crystallography Open Database

Information card for entry 2108454

Preview

Coordinates	2108454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O2 Zr
Calculated formula	O2 Zr
Title of publication	Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Authors of publication	Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Journal of publication	Acta Crystallographica Section B
Year of publication	2019
Journal volume	75
Journal issue	4
a	5.09098 ± 0.00029 Å
b	5.2093 ± 0.00033 Å
c	5.23197 ± 0.00032 Å
α	90°
β	98.706 ± 0.005°
γ	90°
Cell volume	137.155 ± 0.015 Å³
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
RFsqd	0.06231
Goodness-of-fit parameter for all reflections	1.36
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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