Crystallography Open Database

Information card for entry 9010493

Preview

Coordinates	9010493.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Mineral name	Merrillite
Formula	Ca9.443 Fe0.065 Mg0.935 O28 P6.964
Calculated formula	Ca9.443 Fe0.065 Mg0.935 O28 P6.964
Title of publication	The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Note: Formed through dehydrogenation of synthetic whitlockite by heating at 1050 degrees C for 24 hours
Authors of publication	Hughes, J. M.; Jolliff, B. L.; Rakovan, J.
Journal of publication	American Mineralogist
Year of publication	2008
Journal volume	93
Pages of publication	1300 - 1305
a	10.3499 Å
b	10.3499 Å
c	37.115 Å
α	90°
β	90°
γ	120°
Cell volume	3443.12 Å³
Sample thermal history	heating at 1050 degrees C for 24 hours
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283960 (current)	2023-05-23	cif/9/ (saulius@tasmanijos-velnias) Estimating atom types and attached hydrogen counts for all range 9 COD entries. Atom types and hydrogen counts for about 170 entries were adjusted manually after running 'cif_guess_AMCSD_atom_types'. Commiting only those entries where declared and calculated summary formulae are matching exactly. To get the reduced formula, the Z value was estimated with 'cif_estimate_Z' after atom type adjustment. NB.: some files still do not contain the Z value, since the Z that was written into the files was estimated before the atom type correction was made, not after. The Z values will be recomputed once more after the atom types are checked in.	9010493.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.	9010493.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.	9010493.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.	9010493.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9010493.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9010493.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9010493.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9010493.cif
1071	2010-04-10	cif/9/ Updating COD entries from AMCSD, processed in the AMCSD-resynchronisation-2009.06.24/ directory. Entries are updated if they could be unambiguously mapped to a unique COD number by automatic search scripts in AMCSD-resynchronisation-2009.06.24/.	9010493.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.	9010493.cif
950	2010-01-20	cif/ Generating sample thermal history and and pressure history descriptions from titles or material preparation reports; to be used for distinguishing similar structures measured after different treatment.	9010493.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	9010493.cif
649	2009-04-18	Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/.	9010493.cif