DOI: 10.17188/1748240
title: Materials Data on Sr21Hg109 by Materials Project

description: Sr21Hg109 is beta Plutonium-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-one inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to twelve Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.36–3.72 Å. In the second Sr site, Sr is bonded in a distorted cuboctahedral geometry to twelve Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.38–3.65 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.36–3.84 Å. In the fourth Sr site, Sr is bonded in a 8-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.83 Å. In the fifth Sr site, Sr is bonded in a 2-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.40–3.82 Å. In the sixth Sr site, Sr is bonded in a 2-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.39–3.80 Å. In the seventh Sr site, Sr is bonded in a 9-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.37–3.73 Å. In the eighth Sr site, Sr is bonded in a 10-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.39–3.69 Å. In the ninth Sr site, Sr is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.39–3.84 Å. In the tenth Sr site, Sr is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.36–3.81 Å. In the eleventh Sr site, Sr is bonded in a 5-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.64 Å. In the twelfth Sr site, Sr is bonded in a 5-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.69 Å. In the thirteenth Sr site, Sr is bonded in a 11-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.35–3.97 Å. In the fourteenth Sr site, Sr is bonded in a 1-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.29–3.94 Å. In the fifteenth Sr site, Sr is bonded in a 11-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.35–3.79 Å. In the sixteenth Sr site, Sr is bonded in a 11-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.40–3.79 Å. In the seventeenth Sr site, Sr is bonded in a 11-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.41–3.77 Å. In the eighteenth Sr site, Sr is bonded in a 11-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.41–3.75 Å. In the nineteenth Sr site, Sr is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.42–3.77 Å. In the twentieth Sr site, Sr is bonded in a 5-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.37–4.00 Å. In the twenty-first Sr site, Sr is bonded in a 5-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.37–3.64 Å. There are one hundred and nine inequivalent Hg sites. In the first Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.40 Å. In the second Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.04–3.25 Å. In the third Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.94–3.22 Å. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.94–3.26 Å. In the fifth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.34 Å. In the sixth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.27 Å. In the seventh Hg site, Hg is bonded in a 10-coordinate geometry to three Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.05–3.36 Å. In the eighth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.04–3.28 Å. In the ninth Hg site, Hg is bonded in a 8-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.93–3.19 Å. In the tenth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.32 Å. In the eleventh Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.22 Å. In the twelfth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.36 Å. In the thirteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.12–3.33 Å. In the fourteenth Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.35 Å. In the fifteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.04–3.43 Å. In the sixteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.28 Å. In the seventeenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.05–3.23 Å. In the eighteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.23 Å. In the nineteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.21–3.39 Å. In the twentieth Hg site, Hg is bonded in a 3-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.18–3.38 Å. In the twenty-first Hg site, Hg is bonded in a 4-coordinate geometry to three Sr and two Hg atoms. The Hg–Hg bond length is 3.33 Å. In the twenty-second Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and two Hg atoms. The Hg–Hg bond length is 3.31 Å. In the twenty-third Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and three Hg atoms. There are one shorter (3.24 Å) and one longer (3.37 Å) Hg–Hg bond lengths. In the twenty-fourth Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and three Hg atoms. There are one shorter (3.22 Å) and one longer (3.32 Å) Hg–Hg bond lengths. In the twenty-fifth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.19–3.39 Å. In the twenty-sixth Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.12–3.36 Å. In the twenty-seventh Hg site, Hg is bonded in a 6-coordinate geometry to three Sr and two Hg atoms. The Hg–Hg bond length is 3.31 Å. In the twenty-eighth Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.29–3.39 Å. In the twenty-ninth Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and three Hg atoms. There are one shorter (3.23 Å) and one longer (3.33 Å) Hg–Hg bond lengths. In the thirtieth Hg site, Hg is bonded in a 1-coordinate geometry to two Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.22–3.43 Å. In the thirty-first Hg site, Hg is bonded in a 9-coordinate geometry to four Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.14 Å. In the thirty-second Hg site, Hg is bonded in a 9-coordinate geometry to four Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.16 Å. In the thirty-third Hg site, Hg is bonded in a 6-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.93–3.28 Å. In the thirty-fourth Hg site, Hg is bonded in a 8-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.93–3.26 Å. In the thirty-fifth Hg site, Hg is bonded in a 3-coordinate geometry to four Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.29 Å. In the thirty-sixth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.04–3.31 Å. In the thirty-seventh Hg site, Hg is bonded in a 10-coordinate geometry to four Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.35 Å. In the thirty-eighth Hg site, Hg is bonded in a 8-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.04–3.18 Å. In the thirty-ninth Hg site, Hg is bonded in a 8-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.93–3.26 Å. In the fortieth Hg site, Hg is bonded in a 7-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.97–3.22 Å. In the forty-first Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.26 Å. In the forty-second Hg site, Hg is bonded in a 11-coordinate geometry to three Sr and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.29 Å. In the forty-third Hg site, Hg is bonded in a 3-coordinate geometry to three Sr and five Hg atoms. There are one shorter (3.14 Å) and one longer (3.27 Å) Hg–Hg bond lengths. In the forty-fourth Hg site, Hg is bonded in a 3-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.20–3.31 Å. In the forty-fifth Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.22 Å. In the forty-sixth Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.23 Å. In the forty-seventh Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and three Hg atoms. There are one shorter (3.12 Å) and one longer (3.30 Å) Hg–Hg bond lengths. In the forty-eighth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and three Hg atoms. There are one shorter (3.10 Å) and one longer (3.23 Å) Hg–Hg bond lengths. In the forty-ninth Hg site, Hg is bonded in a 3-coordinate geometry to three Sr and five Hg atoms. There are one shorter (3.17 Å) and one longer (3.25 Å) Hg–Hg bond lengths. In the fiftieth Hg site, Hg is bonded in a 3-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.19–3.26 Å. In the fifty-first Hg site, Hg is bonded in a 2-coordinate geometry to three Sr and five Hg atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Hg–Hg bond lengths. In the fifty-second Hg site, Hg is bonde