Crystal structure of three polymorphs of Y(PO_3)_3

摘要

Three polymorphs of yttrium polyphosphate Y(PO_3)_3 were prepare and their crystal structures were determined by single-crystal X-ray diffraction. Each structure is composed of (PO_3)_n infinite chains linked together by corner-sharing YO_6 octahedra. Crystal data: Y(PO_3)_3 T, Mr=162.91, trigonal, space group R-3, a = b = 21.042(3) A, c = 12.159(1) A, V = 4662(1) A~3, d_c = 2.785, Z = 24, R = 0.033, w R = 0.073. Y(PO_3)_3 M, Mr=162.91, monoclinic, space group C2/c, a = 14.176(1) A, b = 6.70750(9) A, c = 10.0853(8) A, beta = 127.597(7) deg, V = 759.81(8) A~3, d_c = 2.848, Z = 4, R = 0.055, w R = 0.107. Y(PO_3)_3 M', Mr = 162.91, monoclinic, space group P2_1/m, a = 6.997 (1) A, b=9.693(1)A, c = 10.989(1) A, beta = 91.84 (1) deg, V = 744.9(2) A~3, d_c = 2.905, Z = 4, R = 0.035, w R = 0.080.