Crystallography Open Database

Information card for entry 9011795

Preview

Coordinates	9011795.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Mineral name	Hohmannite
Formula	Fe2 H16 O17 S2
Calculated formula	Fe4 O34 S4
SMILES	[Fe]12([OH2])([OH2])([OH2])OS(=O)(=O)O[Fe]345([OH2])[O]6[Fe]([OH2])([OH2])([OH2])(OS(=O)(=O)O[Fe]6([O]25)([OH2])OS(O1)(=O)=O)OS(=[O]3)(=O)O[Fe]123([OH2])[O]5[Fe]6([OH2])(OS(=O)(=O)O[Fe]5([OH2])([OH2])([OH2])OS(=[O]2)(=O)O4)OS(=O)(=O)O[Fe](OS(=O)(=O)O1)([O]36)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	The crystal structure of hohmannite, Fe2(H2O)4[(SO4)2O]4H2O and its relationship to amaranite, Fe2(H2O)4[(SO4)2O]3H2O Locality: synthetic
Authors of publication	Scordari, F.
Journal of publication	Mineralogical Magazine
Year of publication	1978
Journal volume	42
Pages of publication	144 - 146
a	9.148 Å
b	10.922 Å
c	7.183 Å
α	90.29°
β	90.79°
γ	107.36°
Cell volume	684.897 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287555 (current)	2023-11-12	cod/ (saulius@tasmanijos-velnias) Linking AMCSD entries to those COD records that had identical cell parameters, formula and bibliography, and identical atomic coordinates after determining atom types in AMCSD records using the 'cif_guess_AMCSD_atom_types' script from the r9700 of the ^/trunk in 'cod-tools' package repository [1]. Some COD entries matched several AMCSD entries; for those multiple related AMCSD entries were noted using the COD_RELATDE_ENTRY category, and multiple mineral names were inserted using the '_[local]_alternative_name_[]' datanames in a loop. Ref.: [1] Working Copy Root Path: /home/saulius/src/cod-tools URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/trunk Relative URL: ^/trunk Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 9701 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 9701 Last Changed Date: 2023-11-12 11:14:50 +0200 (Sun, 12 Nov 2023)	9011795.cif
200438	2017-09-11	cif Fixing (or adding) some Z values and formulae to more sensible values	9011795.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.	9011795.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9011795.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9011795.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9011795.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9011795.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/.	9011795.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.	9011795.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	9011795.cif
649	2009-04-18	Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/.	9011795.cif