Crystallography Open Database

Information card for entry 7704953

Preview

Coordinates	7704953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ba2 Cd O9 Sc
Calculated formula	B3 Ba2 Cd O9 Sc
Title of publication	Synthesis and characterization of three new rare-earth orthoborates: Ba<sub>2</sub>MgY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, Ba<sub>2</sub>CdY<sub>2</sub>(BO<sub>3</sub>)<sub>4</sub>, and Ba<sub>2</sub>CdSc(BO<sub>3</sub>)<sub>3</sub>.
Authors of publication	Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	31
Pages of publication	10874 - 10879
a	6.458 ± 0.002 Å
b	8.338 ± 0.003 Å
c	9.273 ± 0.003 Å
α	111.512 ± 0.009°
β	103.895 ± 0.011°
γ	102.032 ± 0.01°
Cell volume	425.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0167
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0388
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
256100 (current)	2020-09-06	cif/ Updating files of 7704953, 7704954, 7704955 Original log message: Adding full bibliography for 7704953--7704955.cif.	7704953.cif
254616	2020-07-28	cif/ Adding structures of 7704953, 7704954, 7704955 via cif-deposit CGI script.	7704953.cif