Materials Data on Ge5O11 by Materials Project

Dataset · Fri May 01 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1682751· OSTI ID:1682751

(GeO2)10O2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional and consists of four water molecules and one GeO2 framework. In the GeO2 framework, there are seven inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There is three shorter (1.76 Å) and one longer (1.77 Å) Ge–O bond length. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There is one shorter (1.75 Å) and three longer (1.77 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ge–O bond distances ranging from 1.76–2.42 Å. In the fourth Ge site, Ge is bonded to six O atoms to form corner-sharing GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.82–2.03 Å. In the fifth Ge site, Ge is bonded to four O atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the sixth Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ge–O bond distances ranging from 1.74–1.85 Å. In the seventh Ge site, Ge is bonded to four O atoms to form distorted GeO4 tetrahedra that share a cornercorner with one GeO6 octahedra and corners with five GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Ge–O bond distances ranging from 1.74–2.48 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to three Ge atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to three Ge atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to two Ge atoms. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to two Ge atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1682751
• Report Number(s): mp-1224586
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-O
Ge5O11
crystal structure