Materials Data on KP2H4PtO9 by Materials Project
KPtP2H4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.17 Å. In the second 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 2.76–3.00 Å. There are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with four PO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 2.03–2.20 Å. In the second Pt5+ site, Pt5+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with four PO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 2.02–2.20 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are eight inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.59 Å) H–O bond length. In the second H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H+0.50+ site, H+0.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.52 Å) H–O bond length. In the fourth H+0.50+ site, H+0.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the fifth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the seventh H+0.50+ site, H+0.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the eighth H+0.50+ site, H+0.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.42 Å) H–O bond length. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Pt5+ and two H+0.50+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Pt5+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one P5+, and one H+0.50+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one P5+, and one H+0.50+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Pt5+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one P5+, and one H+0.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H+0.50+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Pt5+ and two H+0.50+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Pt5+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Pt5+, and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one P5+, and one H+0.50+ atom. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one P5+, and two H+0.50+ atoms. In the fifteenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one P5+ atom. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one P5+, and one H+0.50+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Pt5+, and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one P5+, and one H+0.50+ atom.
- 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:
- 1700714
- Report Number(s):
- mp-1195234
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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