Materials Data on Ca2FeAs2F by Materials Project
Ca2FeAs2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ca2FeAs2F ribbon oriented in the (0, 0, 1) direction. Ca2+ is bonded in a distorted linear geometry to one As3- and one F1- atom. The Ca–As bond length is 2.88 Å. The Ca–F bond length is 2.13 Å. Fe3+ is bonded in a linear geometry to two equivalent As3- atoms. Both Fe–As bond lengths are 2.46 Å. As3- is bonded in a linear geometry to one Ca2+ and one Fe3+ atom. F1- is bonded in a linear geometry to two equivalent Ca2+ atoms.
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