Crystallography Open Database

Information card for entry 1010838

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Coordinates	1010838.cif

Structure parameters

Chemical name	Beryllium carbide
Formula	C Be2
SMILES	[Be].[Be].[C]
Title of publication	Die Struktur des Berylliumcarbids Be~2~ C.
Authors of publication	Stackelberg, M von; Quatram, F
Journal of publication	Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
Year of publication	1934
Journal volume	27
Pages of publication	50 - 52
a	4.33 ± 0.01 Å
b	4.33 ± 0.01 Å
c	4.33 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	81.2 Å³
Number of distinct elements	2
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278158 (current)	2022-09-25	cod/ Reformatted the summary chemical formuale using the 'cif_filter' program.	1010838.cif
278153	2022-09-25	cod/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	1010838.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1010838.cif
20519	2011-06-11	smi/* and cif/* Adding SMILES for all structures with nel=1 in the mysql entries, supossed to be pure elements. For most of them, just the element symbol remains since SMILES strings and substructure search makes no sense for compact packed structures. Only for molecularly defined substances (for example cyclosulphur moieties) a proper SMILES string has been defined. This does not add too much funcionality to substructure search but flags a large number of structures as "SMILES done". Some of them were found to be not pure elements (carbides, boranes, hydrocarbons) but were added anyway. CIF files and SQL entries have been fixed for these as well as for other with obviously wrong formulas.	1010838.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.	1010838.cif
904	2009-11-23	cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ \| xargs -n1 -iX \ bash -c 'if [ $(cif_filter X \| wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler).	1010838.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1010838.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1010838.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1010838.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1010838.cif