Crystallography Open Database

Information card for entry 9008993

Preview

Coordinates	9008993.cif
External links	AMCSD: 0009149, 0011671

Structure parameters

Mineral name	Realgar
Formula	As S
Calculated formula	As S
SMILES	[As]12[As]3S[As](S1)[As](S2)S3
Title of publication	Second edition. Interscience Publishers, New York, New York
Authors of publication	Wyckoff, R. W. G.
Journal of publication	Crystal Structures
Year of publication	1963
Journal volume	1
Pages of publication	85 - 237
a	9.27 Å
b	13.5 Å
c	6.56 Å
α	90°
β	106.62°
γ	90°
Cell volume	786.654 Å³
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Duplicate of	9010974
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291735 (current)	2024-05-06	Inserting Z values into entries in the 9 range that miss it.	9008993.cif
287551	2023-11-11	cod/ (saulius@tasmanijos-velnias) Assigning AMCSD IDs to the remaining exact matches; marking Wyckoff book as a secondary source, and marking the structures that mention this book as a primary source as duplicates.	9008993.cif
287550	2023-11-11	cod/ (saulius@tasmanijos-velnias) Matching AMCSD IDs with the remaining COD entries that could be matched exactly (i.e. same cell, formula, source publication, measurement conditions and coordinates).	9008993.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9008993.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9008993.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9008993.cif
1071	2010-04-10	cif/9/ Updating COD entries from AMCSD, processed in the AMCSD-resynchronisation-2009.06.24/ directory. Entries are updated if they could be unambiguously mapped to a unique COD number by automatic search scripts in AMCSD-resynchronisation-2009.06.24/.	9008993.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.	9008993.cif
255	2008-03-10	Redepositing all AMCSD (9series) COD CIF files. This redeposition regenerates AMCSD (9 series) files, 10011 entries total, from the original source CIF file cifdata.cif found on the CD received from Armel. Most importantly, the truncated formulas seem to be corrected. The files are not folded, i.e. they have lines longer than 80 characters (conforming CIF 1.1 specification, but not CIF 1.0 specification), and are otherwise syntactically correct. Some missing coordinates were fixed manually, restoring them from the AMCSD site, and non-ASCII symbols were fixed automatically during filtering. After the redeposition, the cifs-with-errors.lst was regenerated using the following command: find -name \*.cif \ \| xargs -n1 -iI sh -c 'vcif -l 2048 I \|\| echo I' \ \| grep -vE 'CIF\|ERR' \ \| sort > cifs-with-errors.lst &	9008993.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/'	9008993.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	9008993.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.	9008993.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)	9008993.cif