Crystallography Open Database

Information card for entry 9017639

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Coordinates	9017639.cif
External links	AMCSD

Structure parameters

Mineral name	Putnisite
Formula	C8 H66 Ca4 Cr8 O69 S Sr
Calculated formula	C8 H66 Ca4 Cr8 O69 S Sr
Title of publication	Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia: description and crystal structure
Authors of publication	Elliott, P.; Giester, G.; Rowe, R.; Pring, A.
Journal of publication	Mineralogical Magazine
Year of publication	2014
Journal volume	78
Pages of publication	131 - 144
a	15.351 Å
b	20.421 Å
c	18.27 Å
α	90°
β	90°
γ	90°
Cell volume	5727.33 Å³
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
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.	9017639.cif
282074	2023-03-27	cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry).	9017639.cif