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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

The Impact of Operational Strategies and Load Fluctuations on Anion Exchange Membrane Water Electrolyzer Degradation

This study reports on the durability of anion exchange membrane water electrolyzers (AEMWEs) at the cell level in a supporting electrolyte (1 M) and the impact of operational profiles on cell degradation. While constant load shows significant voltage loss, including a current hold at 1 A cm −2 and a potential hold at 2 V, it generally occurs in the first 70 h of testing. These losses are likely due to passivation altering site reactivity and cell kinetics, and are largely recoverable upon load cycling and diagnostics at the end of test. Furthermore, square and triangular-wave cycling do not show cell degradation and indicate that AEMWEs are not vulnerable to load cycling. When operating outside of this potential window (1.45–2 V), cell voltage decay rates markedly increase and the losses are not recoverable. This includes a current density hold at 4.0 A cm −2 with high cell voltages (>2.4 V for test duration) and cycling between 0 and 2 V to simulate start–stop, where more than a 50% loss in current density occurs over 50 h. The findings presented here demonstrate the high durability of AEMWEs, particularly when operating with load fluctuations, and may allow for durability advantages compared to iridium and proton exchange membrane systems.

08 HYDROGEN↗
DOE OSTI2025

Ultrafast renormalization of the magnetic continuum in the proximal Kitaev quantum spin liquid H 3 LiIr 2 O 6 by tr-RIXS [Invited]

We present the first circularly polarized non-resonant pump time-resolved resonant inelastic X-ray scattering (tr-RIXS) experiment in H 3 LiIr 2 O 6 , an iridium-based Kitaev system. Our calculations and experimental results are consistent with the modification of the low-energy magnetic excitations in H 3 LiIr 2 O 6 only during illumination by the laser pulse. We discuss these results in a cooperative framework between the Floquet engineering of the exchange interactions and the dynamic renormalization of electron-electron correlations. However, the penetration length mismatch between the X-ray probe and laser pump and the intrinsic complexity of Kitaev magnets prevents us from unequivocally extracting towards which ground state H 3 LiIr 2 O 6 is driven. We outline possible solutions to these challenges for light-driven stabilization and observation of the Kitaev quantum spin liquid limit by RIXS.

Kim, Jungho [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2020

Materials Data on CdAu by Materials Project

AuCd is alpha iridium vanadium-like structured and crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are four inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.94–3.04 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.87–3.03 Å. In the third Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.87–3.08 Å. In the fourth Au site, Au is bonded in a 8-coordinate geometry to eight Cd atoms. There are a spread of Au–Cd bond distances ranging from 2.92–3.10 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second Cd site, Cd is bonded in a 8-coordinate geometry to eight Au atoms. In the third Cd site, Cd is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the fourth Cd site, Cd is bonded in a 8-coordinate geometry to eight Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Ir(NO2)6 by Materials Project

KIr(K(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four potassium molecules, and one K(NO2)3 framework. In the K(NO2)3 framework, K1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All K–O bond lengths are 2.69 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 2.14 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent N3+, and one O2- atom. The O–O bond length is 1.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3Ir(NO2)6 by Materials Project

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Ir(NO2)6 by Materials Project

Rb(RbO6)2Ir(N2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of twenty-four ammonia molecules, four iridium molecules, four rubidium molecules, and one RbO6 framework. In the RbO6 framework, Rb1+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Rb–O bond lengths are 2.90 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. The O–O bond length is 1.29 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Ir(NO2)6 by Materials Project

Ir(Na(NO2)2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three iridium molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.36 Å) and three longer (2.40 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are six shorter (2.66 Å) and six longer (2.95 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si2Bi14IrI12 by Materials Project

Ir(SiBi7I6)2 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two iridium molecules and two SiBi7I6 sheets oriented in the (0, 0, 1) direction. In each SiBi7I6 sheet, Si4- is bonded in a 4-coordinate geometry to four equivalent Bi+1.14+ atoms. All Si–Bi bond lengths are 2.91 Å. There are three inequivalent Bi+1.14+ sites. In the first Bi+1.14+ site, Bi+1.14+ is bonded in a distorted water-like geometry to one Si4- and one I1- atom. The Bi–I bond length is 3.70 Å. In the second Bi+1.14+ site, Bi+1.14+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Bi–I bond lengths are 3.25 Å. In the third Bi+1.14+ site, Bi+1.14+ is bonded in a square co-planar geometry to four I1- atoms. There are a spread of Bi–I bond distances ranging from 3.17–3.30 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Bi+1.14+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Bi+1.14+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaHg by Materials Project

NaHg is alpha iridium vanadium-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Hg atoms. There are a spread of Na–Hg bond distances ranging from 3.23–3.29 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Hg atoms. There are a spread of Na–Hg bond distances ranging from 3.18–3.44 Å. Hg is bonded in a 8-coordinate geometry to eight Na atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNi by Materials Project

NiTi is alpha iridium vanadium-like structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight Ni atoms. There are six shorter (2.50 Å) and two longer (2.66 Å) Ti–Ni bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.43–2.88 Å. In the third Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–2.73 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.73 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Ti and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PAuCl8 by Materials Project

AuCl4PCl4 is alpha iridium vanadium structured and crystallizes in the orthorhombic Imma space group. The structure is zero-dimensional and consists of eight [pcl4]+1 molecules and eight AuCl4 clusters. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are three shorter (2.32 Å) and one longer (2.33 Å) Au–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In7GeIrO8 by Materials Project

IrIn7GeO8 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four iridium atom molecules and one In7GeO8 framework. In the In7GeO8 framework, there are two inequivalent In+1.29+ sites. In the first In+1.29+ site, In+1.29+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.26 Å) and two longer (2.41 Å) In–O bond lengths. In the second In+1.29+ site, In+1.29+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All In–O bond lengths are 2.15 Å. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent In+1.29+ and one Ge4+ atom. In the second O2- site, O2- is bonded to four In+1.29+ atoms to form corner-sharing OIn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNi by Materials Project

NiTi is alpha iridium vanadium-like structured and crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are five inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.50–2.83 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.44–2.89 Å. In the third Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–2.81 Å. In the fourth Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–2.76 Å. In the fifth Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.50–2.71 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti atoms. In the third Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti atoms. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti atoms. In the fifth Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGaNi2 by Materials Project

Ni2MnGa is alpha iridium vanadium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three equivalent Ga atoms. There are four shorter (2.48 Å) and four longer (2.51 Å) Mn–Ni bond lengths. There are one shorter (2.70 Å) and two longer (2.76 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.48–2.51 Å. There are a spread of Mn–Ga bond distances ranging from 2.78–2.95 Å. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight Ni and two equivalent Ga atoms. All Mn–Ni bond lengths are 2.49 Å. Both Mn–Ga bond lengths are 2.76 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are two shorter (2.48 Å) and two longer (2.51 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.51 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. All Ni–Ga bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to five Mn and eight Ni atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the third Ga site, Ga is bonded to four Mn and eight Ni atoms to form a mixture of distorted corner and edge-sharing GaMn4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VIr by Materials Project

IrV is alpha iridium vanadium structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. V is bonded in a 9-coordinate geometry to one V and eight equivalent Ir atoms. The V–V bond length is 2.38 Å. All V–Ir bond lengths are 2.66 Å. Ir is bonded in a 8-coordinate geometry to eight equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2LiIr(CN)6 by Materials Project

Cs2Li(CN)6Ir crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.87 Å. Li1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Li–N bond lengths are 2.23 Å. C+1.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to four equivalent Cs1+, one Li1+, and one C+1.67+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGaNi2 by Materials Project

Ni2MnGa is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and one Ga atom. There are a spread of Mn–Ni bond distances ranging from 2.49–2.53 Å. The Mn–Ga bond length is 2.82 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.49–2.54 Å. There are one shorter (2.73 Å) and two longer (2.74 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.49–2.54 Å. There are one shorter (2.72 Å) and two longer (2.74 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and two equivalent Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.50–2.52 Å. Both Mn–Ga bond lengths are 2.74 Å. In the fifth Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.48–2.53 Å. There are a spread of Mn–Ga bond distances ranging from 2.71–2.75 Å. In the sixth Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three Ga atoms. There are a spread of Mn–Ni bond distances ranging from 2.49–2.54 Å. There are a spread of Mn–Ga bond distances ranging from 2.71–2.74 Å. In the seventh Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and one Ga atom. There are a spread of Mn–Ni bond distances ranging from 2.49–2.53 Å. The Mn–Ga bond length is 2.82 Å. There are fourteen inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.53 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.53 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.55 Å. In the fourth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.53 Å. In the fifth Ni site, Ni is bonded in a 8-coordinate geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.55 Å. In the sixth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.54 Å. In the seventh Ni site, Ni is bonded in a 8-coordinate geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.55 Å. In the eighth Ni site, Ni is bonded in a 8-coordinate geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.53 Å. In the ninth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.53 Å. In the tenth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.53 Å. In the eleventh Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.54 Å. In the twelfth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are one shorter (2.51 Å) and three longer (2.52 Å) Ni–Ga bond lengths. In the thirteenth Ni site, Ni is bonded in a 8-coordinate geometry to four Mn and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.50–2.55 Å. In the fourteenth Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Ga atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Ni–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three Mn and eight Ni atoms. In the third Ga site, Ga is bonded to four Mn and eight Ni atoms to form a mixture of distorted edge and corner-sharing GaMn4Ni8 cuboctahedra. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three Mn and eight Ni atoms. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three Mn and eight Ni atoms. In the sixth Ga site, Ga is bonded in a 8-coordinate geometry to eight Ni atoms. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to three Mn and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsXe2F9 by Materials Project

Xe2F3AsF6 is alpha iridium vanadium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of six AsF6 clusters and six Xe2F3 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. The F–As bond length is 1.78 Å. In two of the Xe2F3 clusters, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.01 Å) and one longer (2.22 Å) Xe–F bond lengths. In the second Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.01 Å) and one longer (2.22 Å) Xe–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a bent 150 degrees geometry to two Xe atoms. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In four of the Xe2F3 clusters, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.01 Å) and one longer (2.22 Å) Xe–F bond lengths. In the second Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.01 Å) and one longer (2.23 Å) Xe–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Xe atoms. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗