Crystallography Open Database

Information card for entry 9017410

Preview

Coordinates	9017410.cif
External links	AMCSD

Structure parameters

Mineral name	Vaterite
Formula	C Ca O3
Calculated formula	C4 Ca4 O12
Title of publication	A new structural model for disorder in vaterite from first-principles calculations
Authors of publication	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Pages of publication	44 - 47
a	8.4905 Å
b	6.3905 Å
c	4.5026 Å
α	90°
β	90°
γ	90°
Cell volume	244.305 Å³
Number of distinct elements	3
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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