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A new ternary metal diphosphate (V) K 2 Ba 3 (P 2 O 7 ) 2 , has been prepared by high-temperature solution growth (HTSG) method for the first time. Structurally solution through single-crystal X-ray diffraction analysis method was complicated by pseudo centering symmetry combined with occupational disorder. The results show that it features a non-centrosymmetric space group  Pmn 2 1  with  a  = 5.5827 (6),  b  = 9.4196 (9),  c  = 13.9150 (12) Å,  β  = 94.561(4)°, Z = 2,  R [ F  2  &gt; 2σ( F  2 )] = 0.028. The structure of K 2 Ba 3 (P 2 O 7 ) 2  contains isolated [P 2 O 7 ] groups in four directions array with their holes occupied by the K +  and the Ba 2+  cations. Furthermore, photoluminescence study showed that K 2 Ba 3 (P 2 O 7 ) 2  display both a wide emission bond around 408 ~ 422 nm and a sharp bond at around 484 nm (excited by 354 nm).

Disorder, pseudo symmetry and photoluminescence properties of a new diphosphate K 2 Ba 3 (P 2 O 7 ) 2