Crystallography Open Database

Information card for entry 9010985

Preview

Coordinates	9010985.cif
Original paper (by DOI)	HTML
External links	AMCSD: 0009167, 0011192; ChemSpider

Structure parameters

Common name	Scandium
Formula	Sc
Calculated formula	Sc
SMILES	[Sc]
Title of publication	The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.6% pure
Authors of publication	Spedding, F. H.; Daane, A. H.; Herrmann, K. W.
Journal of publication	Acta Crystallographica
Year of publication	1956
Journal volume	9
Pages of publication	559 - 563
a	3.309 Å
b	3.309 Å
c	5.2733 Å
α	90°
β	90°
γ	120°
Cell volume	50.004 Å³
Number of distinct elements	1
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291792 (current)	2024-05-09	Inserting Z values into entries of 9 range, mostly missing.	9010985.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.	9010985.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).	9010985.cif
202019	2017-10-14	cif/ Marking COD entries in range 9 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	9010985.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9010985.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9010985.cif
77877	2013-03-29	cod/ (saulius@koala.ibt.lt) Removing mineral names from those crystal structures that do not actually describe minerals (e.g. synthetic entries; data source: file COD-minerals.xlsx from my 2012-08-24 15:47 e-mail).	9010985.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B\|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ \| cif_filter --add-cif-header $C \ \| sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	9010985.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9010985.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9010985.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/.	9010985.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.	9010985.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	9010985.cif
649	2009-04-18	Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/.	9010985.cif