Materials Data on Ni4Sn3 by Materials Project

Abstract

Ni4Sn3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twenty inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.58–2.69 Å. There are a spread of Ni–Sn bond distances ranging from 2.59–2.74 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.66 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.84 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.66 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.84 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.59–2.65 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.75 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.58–2.66 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.74 Å. In the sixth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.58–2.66 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.75 Å. In the seventh Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.72 Å. There are a spread of Ni–Sn bond distances ranging from 2.61–2.95 Å. In the eighth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.68 Å. There are a spread of Ni–Sn bond distances ranging from 2.61–2.88 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.71 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.90 Å. In the tenth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.59–2.68 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.97 Å. In the eleventh Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.58–2.72 Å. There are a spread of Ni–Sn bond distances ranging from 2.60–2.92 Å. In the twelfth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.58–2.69 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.96 Å. In the thirteenth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.61 Å. In the fourteenth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.62 Å. In the fifteenth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.51–2.61 Å. In the sixteenth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.51–2.61 Å. In the seventeenth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.51–2.61 Å. In the eighteenth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.61 Å. In the nineteenth Ni site, Ni is bonded in a 11-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.52–2.61 Å. In the twentieth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.50–2.61 Å. There are twenty-four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Ni atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to eight Ni atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to nine Ni atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to eight Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to eight Ni atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to eight Ni atoms. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the eighth Sn site, Sn is bonded in a distorted q6 geometry to nine Ni atoms. In the ninth Sn site, Sn is bonded in a distorted q6 geometry to nine Ni atoms. In the tenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the eleventh Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the twelfth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the thirteenth Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the fourteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the fifteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the sixteenth Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the seventeenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the eighteenth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the nineteenth Sn site, Sn is bonded in a 6-coordinate geometry to eight Ni atoms. In the twentieth Sn site, Sn is bonded in a 6-coordinate geometry to eight Ni atoms. In the twenty-first Sn site, Sn is bonded in a 6-coordinate geometry to eight Ni atoms. In the twenty-second Sn site, Sn is bonded in a 6-coordinate geometry to eight Ni atoms. In the twenty-third Sn site, Sn is bonded in a 8-coordinate geometry to eight Ni atoms. In the twenty-fourth Sn site, Sn is bonded in a 10-coordinate geometry to eight Ni atoms.