Crystallography Open Database

Information card for entry 7714620

Preview

Coordinates	7714620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 Na2 O5
Calculated formula	C2 Na2 O5
Title of publication	High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].
Authors of publication	Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	40 - 44
a	2.9064 ± 0.0008 Å
b	5.4219 ± 0.0005 Å
c	9.6871 ± 0.0009 Å
α	90°
β	94.99 ± 0.012°
γ	90°
Cell volume	152.07 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	20000000 kPa
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for significantly intense reflections	1.47
Goodness-of-fit parameter for all reflections included in the refinement	1.47
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.2906 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289459 (current)	2024-02-04	cif/ Updating files of 7714620, 7714621, 7714622 Original log message: Adding full bibliography for 7714620--7714622.cif.	7714620.cif
288105	2023-12-07	cif/ Adding structures of 7714620, 7714621, 7714622 via cif-deposit CGI script.	7714620.cif