Theoretical Crystallography Open Database

Information card for entry 20002037

20002036 << 20002037 >> 20002038

Preview

Coordinates	20002037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Ca O3
Calculated formula	C Ca O3
Title of publication	Structures and stability of calcium and magnesium carbonates at mantle pressures
Authors of publication	Pickard, Chris J.; Needs, Richard J.
Journal of publication	Physical Review B
Year of publication	2015
Journal volume	91
Journal issue	10
a	4.7554 Å
b	3.4299 Å
c	9.5399 Å
α	90°
β	106.466°
γ	90°
Cell volume	149.219 Å³
Number of distinct elements	3
Hermann-Mauguin symmetry space group	P 1 21/c 1
Hall symmetry space group	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1671 (current)	2017-01-06	cif/ Adding structures of 20002037, 20002038, 20002039, 20002040, 20002041, 20002042 via cif-deposit CGI script.	20002037.cif