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Crystals of the four new binary rare earth metal polyselenides LaSe 1.85 , CeSe 1.83 , NdSe 1.83  and SmSe 1.84  were obtained by flux reactions. Their two-dimensionally incommensurately modulated structures were solved from X-ray diffraction data. Structure models were established in super space group  X 4/ n (– αβ 0)( βα 0)00 with modulation wave vectors   q   1  = – α   a  * +  β   b  * and   q   2  =  β   a  * +  α   b  * and the centering vector (0, 0, 1/2, 1/2, 1/2). The unit cell parameters at  T  = 293 K are  a  = 4.216(1) Å and  c  = 17.048(2) Å for LaSe 1.85 ,  a  = 4.178(1) Å and  c  = 16.942(3) Å for CeSe 1.83 ,  a  = 4.123(1) Å and  c  = 16.792(2) Å for NdSe 1.83  and  a  = 4.080(1) Å and  c  = 16.672(2) Å for SmSe 1.84 ; the components of the modulation wave vectors are  α  =  β  = 0.292(1) for LaSe 1.85  and CeSe 1.83 , and  α  =  β  = 0.293(1) for NdSe 1.83  and SmSe 1.84 , respectively. The modulation originates from a site occupancy wave caused by defects in planar selenium layers coupled to a displacive modulation.

zeitschrift für kristallographie

LaSe 1.85 , CeSe 1.83 , NdSe 1.83  and SmSe 1.84  – four new rare earth metal polyselenides with incommensurate site occupancy and displacive modulation