Materials Data on V4Bi23 by Materials Project

Abstract

V4Bi23 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of V–Bi bond distances ranging from 3.05–3.58 Å. In the second V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.03–3.63 Å. In the third V site, V is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of V–Bi bond distances ranging from 2.96–3.21 Å. In the fourth V site, V is bonded in a 9-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.05–3.79 Å. In the fifth V site, V is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of V–Bi bond distances ranging from 3.07–3.50 Å. In the sixth V site, V is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of V–Bi bond distances ranging from 3.02–3.34 Å. In the seventh V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.10–3.57 Å. In the eighth V site, V is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of V–Bi bond distances ranging from 3.04–3.65 Å. There are forty-six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.25–3.38 Å. In the second Bi site, Bi is bonded in a 7-coordinate geometry to three V and one Bi atom. The Bi–Bi bond length is 3.70 Å. In the third Bi site, Bi is bonded in a 2-coordinate geometry to two V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.23–3.67 Å. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are two shorter (3.25 Å) and one longer (3.55 Å) Bi–Bi bond lengths. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to three V and one Bi atom. The Bi–Bi bond length is 3.34 Å. In the sixth Bi site, Bi is bonded in a 9-coordinate geometry to two V and seven Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.23–3.61 Å. In the seventh Bi site, Bi is bonded in a 3-coordinate geometry to three V atoms. In the eighth Bi site, Bi is bonded in a 9-coordinate geometry to one V and eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.37–3.59 Å. In the ninth Bi site, Bi is bonded in a distorted single-bond geometry to one V and three Bi atoms. The Bi–Bi bond length is 3.16 Å. In the tenth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.17–3.54 Å. In the eleventh Bi site, Bi is bonded in a distorted L-shaped geometry to two V and two Bi atoms. There are one shorter (3.28 Å) and one longer (3.52 Å) Bi–Bi bond lengths. In the twelfth Bi site, Bi is bonded in a 1-coordinate geometry to one V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.21–3.47 Å. In the thirteenth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.17–3.41 Å. In the fourteenth Bi site, Bi is bonded in a 10-coordinate geometry to three V and seven Bi atoms. The Bi–Bi bond length is 3.53 Å. In the fifteenth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.34–3.71 Å. In the sixteenth Bi site, Bi is bonded in a distorted linear geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.39 Å. In the seventeenth Bi site, Bi is bonded in a 1-coordinate geometry to one V and five Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.20–3.56 Å. In the eighteenth Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V and two Bi atoms. There are one shorter (3.34 Å) and one longer (3.58 Å) Bi–Bi bond lengths. In the nineteenth Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V and three Bi atoms. The Bi–Bi bond length is 3.55 Å. In the twentieth Bi site, Bi is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.35–3.65 Å. In the twenty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and three Bi atoms. There are one shorter (3.52 Å) and one longer (3.56 Å) Bi–Bi bond lengths. In the twenty-second Bi site, Bi is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.22–3.58 Å. In the twenty-third Bi site, Bi is bonded in a distorted bent 120 degrees geometry to two V atoms. In the twenty-fourth Bi site, Bi is bonded in a 1-coordinate geometry to one V and two Bi atoms. There are one shorter (3.37 Å) and one longer (3.52 Å) Bi–Bi bond lengths. In the twenty-fifth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Bi–Bi bond lengths. In the twenty-sixth Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. The Bi–Bi bond length is 3.41 Å. In the twenty-seventh Bi site, Bi is bonded in a distorted single-bond geometry to one V and one Bi atom. The Bi–Bi bond length is 3.58 Å. In the twenty-eighth Bi site, Bi is bonded in a 7-coordinate geometry to seven Bi atoms. There are one shorter (3.34 Å) and one longer (3.57 Å) Bi–Bi bond lengths. In the twenty-ninth Bi site, Bi is bonded in a 2-coordinate geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.64 Å. In the thirtieth Bi site, Bi is bonded in a 2-coordinate geometry to two V and one Bi atom. In the thirty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and two Bi atoms. The Bi–Bi bond length is 3.44 Å. In the thirty-second Bi site, Bi is bonded in a 11-coordinate geometry to eight Bi atoms. The Bi–Bi bond length is 3.65 Å. In the thirty-third Bi site, Bi is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.27–3.55 Å. In the thirty-fourth Bi site, Bi is bonded in a 10-coordinate geometry to two V and eight Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.16–3.60 Å. In the thirty-fifth Bi site, Bi is bonded in a 1-coordinate geometry to three V and three Bi atoms. There are one shorter (3.16 Å) and one longer (3.29 Å) Bi–Bi bond lengths. In the thirty-sixth Bi site, Bi is bonded in a distorted single-bond geometry to two equivalent V and four Bi atoms. There are one shorter (3.21 Å) and one longer (3.60 Å) Bi–Bi bond lengths. In the thirty-seventh Bi site, Bi is bonded in a 2-coordinate geometry to three V and five Bi atoms. There are one shorter (3.23 Å) and one longer (3.37 Å) Bi–Bi bond lengths. In the thirty-eighth Bi site, Bi is bonded in a 1-coordinate geometry to one V and two Bi atoms. The Bi–Bi bond length is 3.27 Å. In the thirty-ninth Bi site, Bi is bonded in a 3-coordinate geometry to three V and two Bi atoms. The Bi–Bi bond length is 3.31 Å. In the fortieth Bi site, Bi is bonded in a 6-coordinate geometry to six Bi atoms. The Bi–Bi bond length is 3.40 Å. In the forty-first Bi site, Bi is bonded in a 2-coordinate geometry to two V and three Bi atoms. The Bi–Bi bond length is 3.51 Å. In the forty-second Bi site, Bi is bonded in a 6-coordinate geometry to two V and five Bi atoms. There are one shorter (3.26 Å) and one longer (3.28 Å) Bi–Bi bond lengths. In the forty-third Bi site, Bi is bonded in a distorted single-bond geometry to one V and four Bi atoms. The Bi–Bi bond length is 3.25 Å. In the forty-fourth Bi site, Bi is bonded in a 2-coordinate geometry to two V and four Bi atoms. The Bi–Bi bond length is 3.16 Å. In the forty-fifth Bi site, Bi is bonded in a 3-coordinate geometry to three V and five Bi atoms. In the forty-sixth Bi site, Bi is bonded in a 10-coordinate geometry to one V and nine Bi atoms. The Bi–Bi bond length is 3.42 Å.