ic6b00926_si_001.cif (16.73 kB)
Cs3W3PO13: A Tungsten Phosphate with One-Dimensional Zigzag Tunnels Exhibiting Strongly Anisotropic Thermal Expansion
dataset
posted on 2016-05-16, 12:36 authored by Pifu Gong, Xingxing Jiang, Yi Yang, Siyang Luo, Rongjin Huang, Laifeng Li, Chuangtian Chen, Zheshuai LinA new tungsten phosphate, Cs3W3PO13, is synthesized using the high-temperature
flux method. Cs3W3PO13 crystallizes
in the space group Pnma and contains one-dimensional
zigzag tunnels, which are found for the first time in tungsten phosphate.
This highly anisotropic structural feature results in a very strong
anisotropic thermal expansion, with thermal expansion coefficients
of 14.15 ± 1.11 and 0.72 ± 0.22 M K–1 along
the a and b axes, respectively,
over the temperature range from 13 to 270 K. In addition, thermal
analysis, UV–vis–near-IR diffuse reflectance, and first-principles
electronic structure calculations on Cs3W3PO13 are performed.