Crystallography Open Database

Information card for entry 4332190

Preview

Coordinates	4332190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Na1.55 O6 Pr2.45 Rh
Calculated formula	Na1.552 O6 Pr2.448 Rh
Title of publication	Single-Crystal Structure of the 2H-Related Perovskites (A3-xNax)NaBO6(A = La, Pr, Nd; B = Rh, Pt)
Authors of publication	Macquart, René B.; Gemmill, William R.; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4391 - 4395
a	9.3534 ± 0.0002 Å
b	9.3534 ± 0.0002 Å
c	11.3386 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	859.07 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.263
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179424 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/21.	4332190.cif
98154	2014-01-29	cif/ Adding structures of 4332189, 4332190, 4332191, 4332192 via cif-deposit CGI script.	4332190.cif