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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H8PtO6 by Materials Project

H2Pt(OH)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pt4+ sites. In the first Pt4+ site, Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.06 Å. In the second Pt4+ site, Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.06 Å. There are sixteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.49 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.32 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.36 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the eighth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.08 Å) and one longer (1.42 Å) H–O bond length. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the thirteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the fourteenth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. In the fifteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.60 Å) H–O bond length. In the sixteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt4+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt4+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Pt4+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and two H1+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and two H1+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H8PtO6 by Materials Project

H2Pt(OH)6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pt4+ sites. In the first Pt4+ site, Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.02–2.06 Å. In the second Pt4+ site, Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.01–2.08 Å. There are sixteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.45 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.65 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.57 Å) H–O bond length. In the eighth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.42 Å) H–O bond length. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the eleventh H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.66 Å) H–O bond length. In the twelfth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.49 Å) H–O bond length. In the thirteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.61 Å) H–O bond length. In the fourteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the fifteenth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.60 Å) H–O bond length. In the sixteenth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Pt4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt4+ and three H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Pt4+ and three H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Pt4+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Pt4+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and two H1+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and one H1+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Pt4+ and two H1+ atoms.

36 MATERIALS SCIENCE↗