Acta Crystallographica Section C

Structural Chemistry

Volume 70, Part 2 (February 2014)

inorganic compounds

ku3117 scheme

Acta Cryst. (2014). C70, 160-164    [ doi:10.1107/S2053229614000679 ]

KNi0.93FeII0.07FeIII(PO4)2: a new type of structure for a compound of composition MIMIIMIII(PO4)2

N. Yu. Strutynska, I. V. Zatovsky, V. N. Baumer, I. V. Ogorodnyk and N. S. Slobodyanik

Abstract: The solid solution KNi0.93FeII0.07FeIII(PO4)2 {potassium [nickel(II)/iron(II)] iron(III) bis­(orthophosphate)} has been prepared by the flux method. The compound shows a new type of structure for a phosphate with the general composition MIMIIMIII(PO4)2. The framework is formed by [(Ni/Fe)O6] polyhedra [Fe site occupancy = 0.069 (14)] linked via shared oxygen vertices forming a cis-like parallel chain stretching along a and [FeO5] polyhedra (located on alternate sides of the chains) connected via two types of PO4 groups into a three-dimensional structure. The K atoms are disordered between two sites, denoted K1A and K1B, with occupancies of 0.930 (9) and 0.070 (9), respectively, and reside inside channels along the a axis. Calculations of the Voronoi-Dirichlet polyhedra of the K atoms give a coordination scheme for K1A of [9 + 3] and for K1B of [10 + 2]. The most remarkable feature of the structure is the splitting of the K-atom site and the population of the K1A and K1B positions due to substitution of Ni by Fe in the (Ni/Fe) position.

CCDC reference: 981045

Formula: KNi0.93Fe1.07(PO4)2

Keywords: crystal structure; solid solution; potassium nickel iron orthophosphate.

pdfdisplay filedownload file

Portable Document Format (PDF) file (243.5 kbytes)
[ doi:10.1107/S2053229614000679/ku3117Isup3.pdf ]
Supplementary material


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format