Materials Data on K10Tl7 by Materials Project

Abstract

K10Tl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are ten inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three Tl atoms. There are a spread of K–Tl bond distances ranging from 3.77–3.95 Å. In the second K site, K is bonded in a 2-coordinate geometry to four Tl atoms. There are a spread of K–Tl bond distances ranging from 3.54–3.92 Å. In the third K site, K is bonded in a 5-coordinate geometry to five Tl atoms. There are a spread of K–Tl bond distances ranging from 3.60–4.05 Å. In the fourth K site, K is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of K–Tl bond distances ranging from 3.66–3.91 Å. In the fifth K site, K is bonded in a 5-coordinate geometry to five Tl atoms. There are a spread of K–Tl bond distances ranging from 3.66–4.05 Å. In the sixth K site, K is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of K–Tl bond distances ranging from 3.72–3.81 Å. In the seventh K site, K is bonded in a 3-coordinate geometry to three Tl atoms. There are a spread of K–Tl bond distances ranging from 3.59–4.00 Å. In the eighth K site, K is bonded in a 5-coordinate geometry to six Tl atoms. There are a spread of K–Tl bond distances ranging from 3.74–4.09 Å. In the ninth K site, K is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of K–Tl bond distances ranging from 3.75–4.07 Å. In the tenth K site, K is bonded in a 3-coordinate geometry to three Tl atoms. There are a spread of K–Tl bond distances ranging from 3.73–4.01 Å. There are seven inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.28–3.33 Å. In the second Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. There are two shorter (3.33 Å) and one longer (3.34 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.27–3.40 Å. In the fourth Tl site, Tl is bonded in a 12-coordinate geometry to six K and six Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.30–3.54 Å. In the fifth Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. There are one shorter (3.32 Å) and one longer (3.37 Å) Tl–Tl bond lengths. In the sixth Tl site, Tl is bonded in a 10-coordinate geometry to six K and four Tl atoms. The Tl–Tl bond length is 3.32 Å. In the seventh Tl site, Tl is bonded in a 11-coordinate geometry to five K and six Tl atoms.