Crystallography Open Database

Information card for entry 2102957

Preview

Coordinates	2102957.cif
Original IUCr paper	HTML

Structure parameters

Mineral name	mayenite
Formula	Al14 Ca12 O33
Calculated formula	Al14 Ca12 O32.696
Title of publication	Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study
Authors of publication	Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Journal of publication	Acta Crystallographica Section B
Year of publication	2007
Journal volume	63
Journal issue	5
Pages of publication	675 - 682
a	12.0449 Å
b	12.0449 Å
c	12.0449 Å
α	90°
β	90°
γ	90°
Cell volume	1747.47 Å³
Cell temperature	1223 K
Ambient diffraction temperature	1173 K
Number of distinct elements	3
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0172
Weighted residual factors for all reflections included in the refinement	0.0173
Goodness-of-fit parameter for all reflections included in the refinement	1.59
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.548 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210194 (current)	2018-08-28	cif/2/10/29/ Renaming the _chemical_name_common data item to _chemical_name_mineral and removing the '?' prefix from the data value in entries 2102955-2102958.	2102957.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2102957.cif
106285	2014-03-15	cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ \| codid2file \ \| xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually.	2102957.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2102957.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2102957.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2102957.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2102957.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2102957.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.	2102957.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2102957.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.	2102957.cif