Crystallography Open Database

Information card for entry 4327820

Preview

Coordinates	4327820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Bi O15 Sr3 Y3
Calculated formula	B4 Bi0.908 O15 Sr3 Y3.092
Title of publication	BiSr3(YO)3(BO3)4: A New Gaudefroyite-Type Rare-Earth Borate with Moderate SHG Response
Authors of publication	Jianhua Gao; Shuai Li
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	420 - 424
a	10.6975 ± 0.0016 Å
b	10.6975 ± 0.0016 Å
c	6.7222 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	666.2 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327820.cif
76742	2013-03-21	cif/ Adding structures of 4327820 via cif-deposit CGI script.	4327820.cif