Materials Data on K2Nd2IrO7 by Materials Project
K2Nd2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.70 Å) and three longer (2.83 Å) K–O bond lengths. Nd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Nd–O bond distances ranging from 2.27–2.67 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Nd, and one Ir atom.
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