Crystallography Open Database

Information card for entry 2101484

Preview

Coordinates	2101484.cif
Original IUCr paper	HTML
External links	AMCSD

Structure parameters

Mineral name	Andradite
Formula	Ca3 Fe2 O12 Si3
Calculated formula	Ca3 Fe2 O12 Si3
Title of publication	Atomic displacement parameters for garnets: a lattice-dynamical evaluation
Authors of publication	Pilati, T.; Demartin, F.; Gramaccioli, C. M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	2
Pages of publication	239 - 250
a	12.0643 ± 0.0003 Å
b	12.0643 ± 0.0003 Å
c	12.0643 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1756 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for significantly intense reflections	0.011
Weighted residual factors for significantly intense reflections	0.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	2101484.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.	2101484.cif
282022	2023-03-23	cif/2/10/14/ (saulius@tasmanijos-velnias) Removing the duplicated list of symmetry operators.	2101484.cif
205968	2018-01-31	cif/2/ Updating space group information and adding the symmetry operation list in entries 2000992, 2010088, 2101099, 2101484.	2101484.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2101484.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	2101484.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2101484.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2101484.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.	2101484.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2101484.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.	2101484.cif