Crystallography Open Database

Information card for entry 1516456

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Structure parameters

Formula	Ca3 Cl2 O4 Si
Calculated formula	Ca3 Cl2 O4 Si
Title of publication	Interplay between Crystal Structure and Photoluminescence Properties of β-Ca3SiO4Cl2:Eu2+
Authors of publication	Kim, Tae-Gon; Kim, Taehyung; Kim, Jaegyeom; Kim, Seung-Joo; Im, Seoung-Jae
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	23
Pages of publication	12428
a	5.912339 ± 0.000006 Å
b	10.201282 ± 0.000012 Å
c	10.988655 ± 0.000012 Å
α	90°
β	90.3422 ± 0.0001°
γ	90°
Cell volume	662.752 ± 0.0013 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor R(I) for significantly intense reflections	11.8538
Goodness-of-fit parameter for all reflections	1.739
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5498 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516456.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516456.cif
119225	2014-07-05	cif/ Updating files of 1516456 Original log message: Adding full bibliography for 1516456.cif.	1516456.cif
114930	2014-05-30	cif/ Adding structures of 1516456 via cif-deposit CGI script.	1516456.cif