Materials Data on Ba2CuSe2F by Materials Project
Ba2CuSe2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba2CuSe2F ribbon oriented in the (0, 0, 1) direction. Ba2+ is bonded in a linear geometry to one Se2- and one F1- atom. The Ba–Se bond length is 2.92 Å. The Ba–F bond length is 2.50 Å. Cu1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.20 Å. Se2- is bonded in a linear geometry to one Ba2+ and one Cu1+ atom. F1- is bonded in a linear geometry to two equivalent Ba2+ atoms.
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