Materials Data on Nd14Cl33 by Materials Project

Abstract

Nd14Cl33 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are fourteen inequivalent Nd+2.36+ sites. In the first Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.90–3.26 Å. In the second Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.93–3.31 Å. In the third Nd+2.36+ site, Nd+2.36+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.85–3.09 Å. In the fourth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.94–3.34 Å. In the fifth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.86–3.34 Å. In the sixth Nd+2.36+ site, Nd+2.36+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.85–3.01 Å. In the seventh Nd+2.36+ site, Nd+2.36+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.83–2.98 Å. In the eighth Nd+2.36+ site, Nd+2.36+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.82–3.11 Å. In the ninth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.83–3.24 Å. In the tenth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.90–3.25 Å. In the eleventh Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.97–3.22 Å. In the twelfth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.84–3.32 Å. In the thirteenth Nd+2.36+ site, Nd+2.36+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.84–3.48 Å. In the fourteenth Nd+2.36+ site, Nd+2.36+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Nd–Cl bond distances ranging from 2.83–3.05 Å. There are thirty-three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the fifth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the sixth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of corner and edge-sharing ClNd4 tetrahedra. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the ninth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Nd+2.36+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the thirteenth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the fourteenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the fifteenth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of corner and edge-sharing ClNd4 tetrahedra. In the sixteenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nd+2.36+ atoms. In the seventeenth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of corner and edge-sharing ClNd4 tetrahedra. In the eighteenth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the nineteenth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Nd+2.36+ atoms. In the twentieth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of corner and edge-sharing ClNd4 tetrahedra. In the twenty-first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the twenty-second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Nd+2.36+ atoms. In the twenty-third Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the twenty-fourth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the twenty-fifth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Nd+2.36+ atoms. In the twenty-sixth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the twenty-seventh Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the twenty-eighth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the twenty-ninth Cl1- site, Cl1- is bonded to four Nd+2.36+ atoms to form a mixture of distorted corner and edge-sharing ClNd4 tetrahedra. In the thirtieth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nd+2.36+ atoms. In the thirty-first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Nd+2.36+ atoms. In the thirty-second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Nd+2.36+ atoms. In the thirty-third Cl1- site, Cl1- is bonded in a distorted water-like geometry to three Nd+2.36+ atoms.