Materials Data on Rb14ZnGe16 by Materials Project

Rb14ZnGe16 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are eight inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.52–3.91 Å. In the second Rb site, Rb is bonded in a 3-coordinate geometry to six Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.59–3.97 Å. In the third Rb site, Rb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.54–3.81 Å. In the fourth Rb site, Rb is bonded in a 2-coordinate geometry to one Zn and seven Ge atoms. The Rb–Zn bond length is 3.52 Å. There are a spread of Rb–Ge bond distances ranging from 3.52–3.91 Å. In the fifth Rb site, Rb is bonded in a 2-coordinate geometry to five Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.47–4.06 Å. In the sixth Rb site, Rb is bonded in a 4-coordinate geometry to seven Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.52–4.05 Å. In the seventh Rb site, Rb is bonded in a 2-coordinate geometry to five Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.58–3.78 Å. In the eighth Rb site, Rb is bonded in a 4-coordinate geometry to seven Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.54–3.95 Å. Zn is bonded in a 7-coordinate geometry to two equivalent Rb and five Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.61–2.70 Å. There are ten inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Rb, one Zn, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Rb, one Zn, and three Ge atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Rb and three Ge atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to five Rb, one Zn, and three Ge atoms. There are two shorter (2.59 Å) and one longer (2.75 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Rb, one Zn, and three Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to four Rb and three Ge atoms. The Ge–Ge bond length is 2.63 Å. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to six Rb and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 10-coordinate geometry to seven Rb and three Ge atoms. The Ge–Ge bond length is 2.62 Å. In the ninth Ge site, Ge is bonded in a 9-coordinate geometry to six Rb and three Ge atoms. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to six Rb and three Ge atoms.