Crystallography Open Database

Information card for entry 9017622

Preview

Coordinates	9017622.cif
External links	AMCSD

Structure parameters

Mineral name	Oxycalcioromeite
Formula	Al0.024 Ca1.076 F0.278 Fe0.338 Mn0.004 Na0.12 O6.682 Sb2.068 Sn0.008 Ti0.194 V0.04
Calculated formula	Al0.024 Ca1.076 F0.278 Fe0.338 Mn0.004 Na0.12 O6.682 Sb2.068 Sn0.008 Ti0.194 V0.04
Title of publication	Oxycalcioromeite, Ca2Sb2O6O, from Buca della Vena mine, Apuan Alps, Tuscany, Italy: a new member of the pyrochlore supergroup
Authors of publication	Biagioni, C.; Orlandi, P.; Nestola, F.; Bianchin, S.
Journal of publication	Mineralogical Magazine
Year of publication	2013
Journal volume	77
Pages of publication	3027 - 3037
a	10.3042 Å
b	10.3042 Å
c	10.3042 Å
α	90°
β	90°
γ	90°
Cell volume	1094.06 Å³
Number of distinct elements	11
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293658 (current)	2024-08-03	Fixing aniso label mismatch for those entries were the correspondence could be derived automatically: ( set -x; directory-metadata; cat ~/AMCSD-wrong-aniso-labels.lst.history; head ~/AMCSD-wrong-aniso-labels.lst; awk '{print $2}' ~/AMCSD-wrong-aniso-labels.lst \| sort -u \| xargs -i sh -c 'PERL5LIB=$(pwd)/src/lib/perl5:$PERL5LIB ./scripts/cif_fix_AMCSD_aniso_labels {} \| cif_filter --add-cif-header {} \| sponge {}'; date ) &> ~/cod_cif_fix_AMCSD_aniso_labels_range_9.log & The AMCSD-wrong-aniso-labels.lst was obtained from the output of the 'cif_validate' with the recent core and cod dictionaries. The 'cif_fix_AMCSD_aniso_labels' script is used from the following branch: Path: scripts/cif_fix_AMCSD_aniso_labels Name: cif_fix_AMCSD_aniso_labels Working Copy Root Path: /home/saulius/src/cod-tools URL: svn://cod.ibt.lt/cif-tools/branches/experiment/saulius-AMCSD-fix-aniso-labels/scripts/cif_fix_AMCSD_aniso_labels Relative URL: ^/branches/experiment/saulius-AMCSD-fix-aniso-labels/scripts/cif_fix_AMCSD_aniso_labels Repository Root: svn://cod.ibt.lt/cif-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 10202 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 10200 Last Changed Date: 2024-08-01 17:09:44 +0300 (Thu, 01 Aug 2024) Text Last Updated: 2024-08-01 17:09:45 +0300 (Thu, 01 Aug 2024) Checksum: 566cd4f94115722d7e3512e0321a042cf7e65ab7 cif/ (saulius@tasmanijos-velnias)	9017622.cif
285095	2023-07-08	cif/9/ (saulius@tasmanijos-velnias) Adding those range 9 entries for which heavy atom counts in the calculated and declared chemical formulae match, possibly after rounding and after insertion of the _cell_formula_units_Z data item. All matches checked manually.	9017622.cif
282074	2023-03-27	cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry).	9017622.cif