Acta Crystallographica Section B

Structural Science, Crystal Engineering and Materials

Volume 69, Part 6 (December 2013)

research papers

Acta Cryst. (2013). B69, 547-555    [ doi:10.1107/S2052519213029436 ]

Modulated crystal structure of Pr2SbO2

O. V. Magdysyuk, J. Nuss and M. Jansen

Abstract: The crystal structure of commensurately modulated Pr2SbO2 was solved in the orthorhombic superspace group Immm(0[beta]0)000, q = 3/4b*, a = 13.5790 (15), b = 3.9818 (18), c = 4.0041 (18) Å (T = 40 K) from a crystal twinned by reticular pseudomerohedry applying the twin law (1 0 0, 0 0 1, 0 -1 0), corresponding to a rotation by 90° along the reciprocal a axis. The formation of Zintl-type Sb2--Sb2- dumbbells in Pr23+Sb2-O22- is considered to be accountable for its semiconducting properties, as observed previously. The space group for the three-dimensional commensurate supercell a = 13.5790 (15), b = 15.9272 (18), c = 4.0041 (18) Å (T = 40 K) is Pmnm.

B-IncStrDB references: 8292Ebau5x, 8312EnSPI5, 8332EyvURZ and 8352EqCIs1

Keywords: ternary pnictides; rare earths; antimonide oxides; commensurate modulated structure.

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[ doi:10.1107/S2052519213029436/dk5015sup6.pdf ]
Supplementary Material contains group-subgroup relation (Barnighausen trees) for the discussed structure


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