Materials Data on Ta4FeTe4 by Materials Project
Ta4FeTe4 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two Ta4FeTe4 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.59 Å. There are two shorter (2.86 Å) and two longer (2.95 Å) Ta–Te bond lengths. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. In the third Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Fe and four Te atoms. Both Ta–Fe bond lengths are 2.60 Å. There are two shorter (2.86 Å) and two longer (2.96 Å) Ta–Te bond lengths. Fe is bonded in a 10-coordinate geometry to eight Ta and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.43 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. The Te–Ta bond length is 2.86 Å. In the second Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms. In the third Te site, Te is bonded in a 4-coordinate geometry to four Ta atoms.