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Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π‑Conjugated Groups as a Birefringent Material Replacement for Calcite
journal contribution
posted on 2018-12-28, 00:00 authored by Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Wenlong Yin, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Jiyong Yao, Guochun Zhang, Bin KangA new
phase of Ba3(C3N3O3)2 (I) was grown from RbCNO and BaCl2 by a solid state cyclo-trimerization reaction. It crystallizes
in space group R3̅ with the cell parameters
of a = 7.0934(2) Å and c =
20.1130(9) Å, featuring a layered structure stacked from the ∞2[Ba(C3N3O3)2]2– double layers along the c direction. I exhibits wide ultraviolet transparency and large optical anisotropy
of Δn = 0.32 at 800 nm, two times than that
of the benchmark birefringent crystal calcite. The discovery of I shows that replacement of calcite is conceivable and opens
the novel pathway for designing novel ultraviolet birefringent crystals
in metal cyanurates.