Crystallography Open Database

Information card for entry 7216556

Preview

Coordinates	7216556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 K7 O19 P5
Calculated formula	B2 K6.995 O19 P5
Title of publication	K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units
Authors of publication	Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	6848
a	9.9795 ± 0.0008 Å
b	10.1903 ± 0.0008 Å
c	11.6966 ± 0.0009 Å
α	91.086 ± 0.005°
β	101.528 ± 0.005°
γ	118.691 ± 0.004°
Cell volume	1013.21 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
180496 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65.	7216556.cif
121588	2014-08-08	cif/ Updating files of 7216556 Original log message: Adding full bibliography for 7216556.cif.	7216556.cif
116489	2014-06-13	cif/ Adding structures of 7216556 via cif-deposit CGI script.	7216556.cif