Materials Data on K5InO4 by Materials Project
K5InO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are forty inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.18 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.12 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.10 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.97 Å. In the fifth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share a cornercorner with one KO4 tetrahedra, a cornercorner with one InO4 tetrahedra, corners with two KO5 trigonal bipyramids, an edgeedge with one KO4 tetrahedra, edges with two InO4 tetrahedra, and edges with two KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.69–2.99 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.37 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.98 Å. In the eighth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one KO4 tetrahedra, and an edgeedge with one InO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.58–3.02 Å. In the ninth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.11 Å. In the tenth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.54–3.09 Å. In the eleventh K1+ site, K1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.34 Å. In the twelfth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.03 Å. In the thirteenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.28 Å. In the fourteenth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.87 Å. In the fifteenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.31 Å. In the sixteenth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one KO4 tetrahedra, an edgeedge with one InO4 tetrahedra, an edgeedge with one KO5 trigonal bipyramid, and an edgeedge with one KO4 trigonal pyramid. There are a spread of K–O bond distances ranging from 2.68–2.95 Å. In the seventeenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.39 Å. In the eighteenth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–2.97 Å. In the nineteenth K1+ site, K1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.36 Å. In the twentieth K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and edges with three KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.61–2.77 Å. In the twenty-first K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and edges with three KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.61–2.75 Å. In the twenty-second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with four InO4 tetrahedra and an edgeedge with one KO5 trigonal bipyramid. There are a spread of K–O bond distances ranging from 2.70–2.96 Å. In the twenty-third K1+ site, K1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.32 Å. In the twenty-fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.22 Å. In the twenty-fifth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.84 Å. In the twenty-sixth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one KO4 tetrahedra, an edgeedge with one InO4 tetrahedra, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of K–O bond distances ranging from 2.58–2.89 Å. In the twenty-seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.16 Å. In the twenty-eighth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three InO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one KO4 tetrahedra, and an edgeedge with one InO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.66–2.98 Å. In the twenty-ninth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.33 Å. In the thirtieth K1+ site, K1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.31 Å. In the thirty-first K1+ site, K1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.08 Å. In the thirty-second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.13 Å. In the thirty-third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.23 Å. In the thirty-fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.03 Å. In the thirty-fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.16 Å. In the thirty-sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.52–3.26 Å. In the thirty-seventh K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share a cornercorner with one KO4 tetrahedra, a cornercorner with one InO4 tetrahedra, corners with two KO5 trigonal bipyramids, an edgeedge with one KO4 tetrahedra, edges with two InO4 tetrahedra, and edges with two KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.66–2.96 Å. In the thirty-eighth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.02 Å. In the thirty-ninth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.93 Å. In the fortieth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.12 Å. There are eight inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two equivalent KO5 trigonal bipyramids, and edges with two KO5 trigonal bipyramids. There are a spread of In–O bond distances ranging from 2.10–2.12 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two KO5 trigonal bipyramids, and an edgeedge with one KO5 trigonal bipyramid. There are one shorter (2.11 Å) and three longer (2.13 Å) In–O bond lengths. In the third In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two KO5 trigonal bipyramids, a cornercorner with one KO4 trigonal pyramid, and an edgeedge with one KO5 trigonal bipyramid. There are one shorter (2.08 Å) and three longer (2.12 Å) In–O bond lengths. In the fourth In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two KO5 trigonal bipyramids, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of In–O bond distances ranging from 2.10–2.14 Å. In the fifth In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two equivalent KO5 trigonal bipyramids, a cornercorner with one KO4 trigonal pyramid, and edges with two KO5 trigonal bipyramids. There are a spread of In–O bond distances ranging from 2.08–2.14 Å. In the sixth In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and a cornercorner with one KO4 trigonal pyramid. There are a spread of In–O bond distances ranging from 2.10–2.14 Å. In the seventh In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, corners with two KO5 trigonal bipyramids, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of In–O bond distances ranging from 2.10–2.14 Å. In the eighth In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share a cornercorner with one KO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and a cornercorner with one KO4 trigonal pyramid. There are a spread of In–O bond distances ranging from 2.10–2.13 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five K1+ and one In3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the third O2- site, O2- is bonded to five K1+ and one In3+ atom to form distorted corner-sharing OK5In octahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one In3+ atom. In the fifth O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one In3+ atom. In the sixth O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one In3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one In3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one In3+ atom. In the ninth O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one In3+ atom. In the tenth O2- site, O2- is bonded to six K1+ and one In3+ atom to form distorted edge-sharing OK6In pentagonal bipyramids. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one In3+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one In3+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ an
- 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:
- 1281502
- Report Number(s):
- mp-667326
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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