Crystallography Open Database

Information card for entry 9013956

Preview

Coordinates	9013956.cif
External links	AMCSD

Structure parameters

Mineral name	Deloneite
Formula	Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301
Calculated formula	Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301
Title of publication	Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite
Authors of publication	Rastsvetaeva, R. F.; Khomyakov, A. P.
Journal of publication	Doklady Akademii Nauk SSSR
Year of publication	1996
Journal volume	349
Pages of publication	354 - 357
a	9.51 Å
b	9.51 Å
c	7.01 Å
α	90°
β	90°
γ	120°
Cell volume	549.047 Å³
Number of distinct elements	11
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283868 (current)	2023-05-18	cif/9/ (saulius@tasmanijos-velnias) Committing those range 9 COD files that have their declared and calculated formula equal after declared formula normalisation (all newlines replaced by spaces, and multiple spaces contracted). Atom types and hydrogen counts were estimated automatically using cif_guess_AMCSD_atom_types and afterwards inspected and fixed manually.	9013956.cif
282068	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop.	9013956.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.	9013956.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.	9013956.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9013956.cif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)	9013956.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9013956.cif
1214	2010-06-10	cif/9/ Adding new CIFs from the AMCSD-resynchronisation-2010.04.24/ data processing.	9013956.cif