Crystallography Open Database

Information card for entry 9017294

Preview

Coordinates	9017294.cif
External links	AMCSD

Structure parameters

Mineral name	Struvite
Formula	H16 Mg N O10 P
Calculated formula	H16 Mg N O10 P
Title of publication	The crystal structure of struvite, MgNH4PO4*6H2O
Authors of publication	Whitaker, A.; Jeffery, J. W.
Journal of publication	Acta Crystallographica, Section B
Year of publication	1970
Journal volume	26
Pages of publication	1429 - 1440
a	6.941 Å
b	6.137 Å
c	11.199 Å
α	90°
β	90°
γ	90°
Cell volume	477.043 Å³
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283962 (current)	2023-05-23	cif/9/ (saulius@tasmanijos-velnias) Automatically estimating Z values for the recently committed COD range 9 entries for which the calculated and declared summary formulae matched (assuming this estimated Z value).	9017294.cif
283960	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.	9017294.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).	9017294.cif