Materials Data on Y2V3O9 by Materials Project

Dataset · Wed Apr 29 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1319124· OSTI ID:1319124

The Materials Project

Y2V3O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.70 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.50 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.52 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.69 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.70 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.51 Å. In the seventh Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.70 Å. In the eighth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.50 Å. There are twelve inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of V–O bond distances ranging from 1.85–2.02 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 15–36°. There are a spread of V–O bond distances ranging from 1.81–2.07 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–37°. There are a spread of V–O bond distances ranging from 1.93–2.03 Å. In the fourth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of V–O bond distances ranging from 1.86–2.02 Å. In the fifth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–36°. There are a spread of V–O bond distances ranging from 1.94–2.02 Å. In the sixth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 15–37°. There are a spread of V–O bond distances ranging from 1.82–2.07 Å. In the seventh V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 15–37°. There are a spread of V–O bond distances ranging from 1.82–2.07 Å. In the eighth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of V–O bond distances ranging from 1.86–2.01 Å. In the ninth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–36°. There are a spread of V–O bond distances ranging from 1.94–2.02 Å. In the tenth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 15–36°. There are a spread of V–O bond distances ranging from 1.82–2.07 Å. In the eleventh V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 25–37°. There are a spread of V–O bond distances ranging from 1.91–2.03 Å. In the twelfth V4+ site, V4+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of V–O bond distances ranging from 1.86–2.02 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the third O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the fifth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the fifteenth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the sixteenth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twenty-third O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two V4+ atoms. In the twenty-fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the twenty-sixth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 tetrahedra. In the twenty-seventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the thirtieth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids. In the thirty-first O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 tetrahedra. In the thirty-second O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the thirty-fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Y3+ and two V4+ atoms. In the thirty-sixth O2- site, O2- is bonded to two Y3+ and two V4+ atoms to form a mixture of distorted edge and corner-sharing OY2V2 trigonal pyramids.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1319124
• Report Number(s): mvc-14376
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Y2V3O9
O-V-Y