Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9012228
Preview
| Coordinates | 9012228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Mineral name | Lewisite |
|---|---|
| Formula | Al0.06 Ca1.04 Fe0.19 H0.91 Mn0.07 Na0.01 O6.91 Sb1.64 Ti0.76 |
| Calculated formula | Al0.06 Ca1.04 Fe0.19 Mn0.07 Na0.01 O6.91 Sb1.6398 Ti0.76 |
| Title of publication | Structural studies of the natural antimonian pyrochlores I. Mixed valency, cation site splitting, and symmetry reduction in lewisite Sample: F23 refinement |
| Authors of publication | Rouse, R. C.; Dunn, P. J.; Peacor, D. R.; Wang, L. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 1998 |
| Journal volume | 141 |
| Pages of publication | 562 - 569 |
| a | 10.277 Å |
| b | 10.277 Å |
| c | 10.277 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1085.42 Å3 |
| Number of distinct elements | 9 |
| Space group number | 196 |
| Hermann-Mauguin space group symbol | F 2 3 |
| Hall space group symbol | F 2 2 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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) |
9012228.cif |
| 291877 | 2024-05-16 | Inserting missing Z values in most entries in the 9 range |
9012228.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. |
9012228.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. |
9012228.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. |
9012228.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9012228.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9012228.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9012228.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9012228.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. |
9012228.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
9012228.cif |
| 649 | 2009-04-18 | Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/. |
9012228.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.