Crystallography Open Database

Information card for entry 6000527

Preview

Coordinates	6000527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag4 D12 Ge7 O22
Calculated formula	Ag4 D11.4 Ge7 O21.7
Title of publication	The crystal-structures of Ag~4~Ge~7~O~16~·6D~2~O and Na~3~(ND~4~)Ge~7~O~16~·6D~2~O refined from high-resolution synchrotron radiation and neutron powder diffraction data
Authors of publication	Roberts, M. A.; Fitch, A. N.
Journal of publication	Journal of Physics and Chemistry of Solids
Year of publication	1991
Journal volume	52
Journal issue	10
Pages of publication	1209 - 1218
a	7.762 ± 0.008 Å
b	7.762 ± 0.008 Å
c	7.762 ± 0.008 Å
α	88.81 ± 0.06°
β	88.81 ± 0.06°
γ	88.81 ± 0.06°
Cell volume	467.35 Å³
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :R
Hall space group symbol	P 3* -2
Residual factor R(I) for significantly intense reflections	0.061
Method of determination	powder diffraction
Duplicate of	1532104
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	6000527.cif
208815	2018-07-04	cif/6/00/05/ Normalising the occupancies reported by the authors in entries 6000527, 6000528 by dividing them by the atom site symmetry multiplicities.	6000527.cif
208814	2018-07-04	cif/6/00/05/ Adding atomic coordinates, atomic displacement parameter values, space group information, R-factor values and other additional information in entries 6000527, 6000528 after consulting the original publication. It should be noted that some of the occupancy values reported by the authors exceed 1; these occupancies were most likely calculated by multiplying the site occupancy by the site symmetry multiplicity. The aforementioned occupancies were purposely not modified in this revision and will be changed in a separate commit.	6000527.cif
176292	2016-02-09	cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries.	6000527.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	6000527.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	6000527.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	6000527.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	6000527.cif
878	2009-11-19	cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif	6000527.cif