10.17188/1194468
None Available
Materials Data on V6O13 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
V6O13
O-V
The Materials Project
2020
en
V6O13 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.24 Å. In the second V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.23 Å. In the third V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.29 Å. In the fourth V+4.33+ site, V+4.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.29 Å. In the fifth V+4.33+ site, V+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of V–O bond distances ranging from 1.70–2.16 Å. In the sixth V+4.33+ site, V+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 0–19°. There are a spread of V–O bond distances ranging from 1.90–2.03 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.33+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the sixth O2- site, O2- is bonded to four V+4.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the tenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.33+ atoms. In the eleventh O2- site, O2- is bonded to four V+4.33+ atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the twelfth O2- site, O2- is bonded in a linear geometry to two V+4.33+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.33+ atoms.