Materials Data on K4Mo6PtO26 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1739294· OSTI ID:1739294

K4Mo6PtO26 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.07 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.78–3.29 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.10 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.78–3.19 Å. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.31 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. In the third Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.44 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.41 Å. In the fifth Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.31 Å. In the sixth Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.32 Å. Pt is bonded in an octahedral geometry to six O atoms. There are a spread of Pt–O bond distances ranging from 1.87–2.05 Å. There are twenty-six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one Mo atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Mo atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one K and one Mo atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two K and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to three K and one Mo atom. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fourteenth O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Mo atoms. In the fifteenth O site, O is bonded in a distorted water-like geometry to one Mo and one Pt atom. In the sixteenth O site, O is bonded in a distorted trigonal planar geometry to one K and two Mo atoms. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the nineteenth O site, O is bonded in a distorted single-bond geometry to one K, one Mo, and one Pt atom. In the twentieth O site, O is bonded in a distorted trigonal planar geometry to one K and two Mo atoms. In the twenty-first O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Pt atom. In the twenty-second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Pt atom. In the twenty-third O site, O is bonded to three Mo and one Pt atom to form distorted corner-sharing OMo3Pt trigonal pyramids. In the twenty-fourth O site, O is bonded to three Mo and one Pt atom to form distorted corner-sharing OMo3Pt trigonal pyramids. In the twenty-fifth O site, O is bonded in a distorted T-shaped geometry to three K atoms. In the twenty-sixth O site, O is bonded in a bent 120 degrees geometry to two K 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: 1739294
• Report Number(s): mp-1204212
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
K-Mo-O-Pt
K4Mo6PtO26
crystal structure