Materials Data on Ta2Mn4O9 by Materials Project
Mn4Ta2O9 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.94–2.18 Å. In the second Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.85–2.15 Å. In the third Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.16 Å. In the fourth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.95–2.11 Å. In the fifth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.19 Å. In the sixth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.31 Å. In the seventh Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.92–2.14 Å. In the eighth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.96–2.11 Å. In the ninth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.20 Å. In the tenth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.32 Å. In the eleventh Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.92–2.15 Å. In the twelfth Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.94–2.13 Å. There are twenty-four inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.40 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.02–2.86 Å. In the third Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.20–2.39 Å. In the fourth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.02–2.51 Å. In the fifth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.10–2.56 Å. In the sixth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.13–2.52 Å. In the seventh Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.07–2.61 Å. In the eighth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.58 Å. In the ninth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.12–2.48 Å. In the tenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.05–2.57 Å. In the eleventh Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.22–2.37 Å. In the twelfth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.04–2.41 Å. In the thirteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.41 Å. In the fourteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.10–2.52 Å. In the fifteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.43 Å. In the sixteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.67 Å. In the seventeenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.13–2.50 Å. In the eighteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.05–2.64 Å. In the nineteenth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.17–2.36 Å. In the twentieth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.04–2.38 Å. In the twenty-first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.05–2.43 Å. In the twenty-second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.45 Å. In the twenty-third Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.09–2.55 Å. In the twenty-fourth Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.10–2.46 Å. There are fifty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ta5+ and two Mn2+ atoms to form distorted OTa2Mn2 trigonal pyramids that share corners with three OTaMn3 trigonal pyramids and edges with two OTa2Mn2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the third O2- site, O2- is bonded to one Ta5+ and three Mn2+ atoms to form distorted corner-sharing OTaMn3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the sixth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the eighth O2- site, O2- is bonded to two Ta5+ and two Mn2+ atoms to form a mixture of distorted edge and corner-sharing OTa2Mn2 trigonal pyramids. In the ninth O2- site, O2- is bonded to two Ta5+ and two Mn2+ atoms to form a mixture of distorted edge and corner-sharing OTa2Mn2 trigonal pyramids. In the tenth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to one Ta5+ and three Mn2+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the thirty-first O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the thirty-third O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the thirty-seventh O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the thirty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the thirty-ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the fortieth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the forty-first O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ta5+ and two Mn2+ atoms. In the forty-second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the forty-third O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms. In the forty-fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the forty-fifth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to one Ta5+ and three Mn2+ atoms. In the forty-sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the forty-seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the forty-eighth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the forty-ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the fiftieth O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the fifty-first O2- site, O2- is bonded in a 4-coordinate geometry to one Ta5+ and three Mn2+ atoms. In the fifty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the fifty-third O2- site, O2- is bonded in a distorted see-saw-like geometry to one Ta5+ and three Mn2+ atoms. In the fifty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ta5+ and two Mn2+ atoms.
- 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:
- 1285444
- Report Number(s):
- mp-698762
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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