Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2216821
Preview
Coordinates | 2216821.cif |
---|---|
Original IUCr paper | HTML |
External links | AMCSD |
Chemical name | dipotassium iron(III) tin(IV) tris(orthophosphate) |
---|---|
Formula | Fe K2 O12 P3 Sn |
Calculated formula | Fe1.0002 K2 O12 P3 Sn0.9998 |
Title of publication | Langbeinite-related K~2~FeSn(PO~4~)~3~ from single-crystal data |
Authors of publication | Zatovsky, Igor V.; Yatskin, Michael M.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V. |
Journal of publication | Acta Crystallographica, Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 12 |
Pages of publication | i199 - i199 |
a | 9.91473 ± 0.00007 Å |
b | 9.91473 ± 0.00007 Å |
c | 9.91473 ± 0.00007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 974.636 ± 0.012 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 198 |
Hermann-Mauguin space group symbol | P 21 3 |
Hall space group symbol | P 2ac 2ab 3 |
Residual factor for all reflections | 0.0261 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0418 |
Weighted residual factors for all reflections included in the refinement | 0.0445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282068 (current) | 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. |
2216821.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. |
2216821.cif |
277834 | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2216821.cif |
176787 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21. |
2216821.cif |
91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2216821.cif |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2216821.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. |
2216821.cif |
326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2216821.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.