Crystallography Open Database

Information card for entry 4003843

Preview

Coordinates	4003843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H0.84 Mn2.841 O12.84 Si0.159 Sr5
Calculated formula	H0.842 Mn2.841 O12.842 Si0.159 Sr5
Title of publication	Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations
Authors of publication	Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	24
Pages of publication	10584 - 10593
a	9.9572 ± 0.00016 Å
b	9.9572 ± 0.00016 Å
c	7.44779 ± 0.00016 Å
α	90°
β	90°
γ	120°
Cell volume	639.49 ± 0.02 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor R(I) for significantly intense reflections	2.731
Goodness-of-fit parameter for all reflections	1.6
Method of determination	powder diffraction
Diffraction radiation wavelength	1.594 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260420 (current)	2021-01-04	cif/ Updating files of 4003840, 4003841, 4003842, 4003843 Original log message: Adding full bibliography for 4003840--4003843.cif.	4003843.cif
259573	2020-12-06	cif/ Adding structures of 4003843 via cif-deposit CGI script.	4003843.cif