Crystallography Open Database

Information card for entry 9013804

Preview

Coordinates	9013804.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Mineral name	Witherite
Formula	C Ba O3
Calculated formula	C Ba O3
Title of publication	The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD
Authors of publication	Antao, S. M.; Hassan, I.
Journal of publication	The Canadian Mineralogist
Year of publication	2009
Journal volume	47
Pages of publication	1245 - 1255
a	5.31459 Å
b	8.90428 Å
c	6.43409 Å
α	90°
β	90°
γ	90°
Cell volume	304.478 Å³
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292002 (current)	2024-05-23	Inserting missing Z values into entries of range 9	9013804.cif
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	9013804.cif
214567	2019-04-09	cif/9/01/ Marked entries 9013799-9013805 as being related to AMCSD entries 0006300-0006306.	9013804.cif
214566	2019-04-09	cif/9/01/38/ Updated the publication author list in entries 9013800, 9013801, 9013802, 9013803, 9013804, 9013805 by removing the 'Aragonite' value.	9013804.cif
176465	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9.	9013804.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9013804.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9013804.cif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)	9013804.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9013804.cif
1214	2010-06-10	cif/9/ Adding new CIFs from the AMCSD-resynchronisation-2010.04.24/ data processing.	9013804.cif