Materials Data on Nd(MnSn)6 by Materials Project

Abstract

Nd(MnSn)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the second Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.04–3.21 Å. In the third Nd site, Nd is bonded to eight Sn atoms to form distorted edge-sharing NdSn8 hexagonal bipyramids. There are a spread of Nd–Sn bond distances ranging from 3.03–3.21 Å. There are eighteen inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.85 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.87 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the seventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the ninth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the tenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.86 Å. In the eleventh Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.86 Å. In the twelfth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the thirteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the fourteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the fifteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.86 Å. In the sixteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.86 Å. In the seventeenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.87 Å. In the eighteenth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. There are eighteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the fifth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the ninth Sn site, Sn is bonded in a 7-coordinate geometry to one Nd and six Mn atoms. In the tenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.97 Å. In the eleventh Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the twelfth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the thirteenth Sn site, Sn is bonded in a 12-coordinate geometry to three Nd and six Mn atoms. In the fourteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the fifteenth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Nd and six Mn atoms. In the sixteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom. In the seventeenth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the eighteenth Sn site, Sn is bonded in a 8-coordinate geometry to one Nd, six Mn, and one Sn atom.