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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

X-Ray and Electron Spectroscopy of the CdS/(Ag,Cu)(In,Ga)Se 2 Interface With RbF Treatment

The chemical and electronic structure of the CdS/(Ag,Cu)(In,Ga)Se 2 (CdS/ACIGSe) interface for thin-film solar cells, involving an absorber with a bulk [Ag]/([Ag]+[Cu]) (AAC) ratio of 0.06, a state-of-the-art RbF post-deposition treatment (PDT), and a chemical-bath deposited CdS buffer layer, is studied. To gain a detailed and depth-resolved picture of the CdS/ACIGSe interface, synchrotron- and laboratory-based hard X-ray, soft X-ray, and UV photoelectron spectroscopy, inverse photoemission spectroscopy, and X-ray emission spectroscopy are combined. Compared to the bulk of the absorber, a Cu- and Ga-poor ACIGSe surface is found, with a slightly increased AAC ratio. Strong evidence of a Rb–In–Se species (possibly with some Ag) at the absorber surface is compiled, with a corresponding band gap of 2.79 ± 0.12 eV. This finding is in clear contrast to comparable Ag-free Cu(In,Ga)Se 2 absorbers with RbF-PDT. The Rb–In–Se surface species is not removed by the (wet-chemical) CdS deposition process, while some Se diffuses into the CdS layer and segregates at its surface. The CdS buffer layer shows a band gap of 2.48 ± 0.12 eV, and a cliff (≈ -0.4 eV) is determined in the conduction band alignment at the interface between the Rb–In–Se species and the CdS buffer.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The timing of lunar solidification and mantle overturn recorded in ferroan anorthosite 62237

Ferroan anorthosite suite (FAS) rocks are widely interpreted to represent primordial lunar crust. Despite their importance in pinpointing the timing of lunar crust formation, robust chronological investigations for this rock type are scarce. Here, we report the Ar-Ar, Rb-Sr, and Sm-Nd isotopic systematics for the FAS troctolitic anorthosite 62237. The Ar-Ar isotopic system has been reset by a thermal event at 3710 ± 48 Ma, and the Rb-Sr isotopic systematics has been disturbed such that a Rb-Sr isochron age cannot be determined. However, an internal isochron for the Sm-Nd isotopic system has yielded an age of 4350 ± 73 Ma (MSWD = 2.0) with an initial ε 143 Nd CHUR of -0.53 ± 0.26. The mineral and whole-rock fractions of 62237 plot on the same internal isochron as FAS sample 60025. The combined datasets define an age of 4372 ± 35 Ma (MSWD = 4.0) with an initial ε 143 Nd CHUR of -0.17 ± 0.22. Literature Sm-Nd data for FAS and Mg-suite whole-rocks also plot on the 60025-62237 isochron. The coherence of data from both FAS and Mg-suite rocks examined thus far suggests that both rock suites formed contemporaneously from identical, or nearly identical, sources. In addition, the concordance of FAS and Mg-suite ages suggests that primordial crust solidification either involved both magmatic suites, or that Mg-suite magmatism was contemporaneous with FAS magmatism within resolution of the Sm-Nd chronometer. The ages for FAS and Mg-suite also coincide with the formation ages of the mare basalt source regions and urKREEP. Ferroan anorthosite suite rocks and urKREEP are thought to represent primordial LMO solidification products, whereas Mg-suite and the mare basalt source regions are argued to represent mixtures of various LMO crystallization products that were formed during density-driven overturn of the LMO. The concordance of ages implies that the 4372 ± 35 Ma Sm-Nd isochron records the age of mantle overturn, and that overturn occurred during, or shortly after, solidification of the LMO.

58 GEOSCIENCES↗
DOE OSTI2020

Materials Data on RbCd13 by Materials Project

RbCd13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to twenty-four equivalent Cd atoms. All Rb–Cd bond lengths are 4.10 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Rb and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.93–3.43 Å. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbO2 by Materials Project

RbO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded in a distorted q4 geometry to ten equivalent O atoms. There are two shorter (2.85 Å) and eight longer (3.04 Å) Rb–O bond lengths. O is bonded in a 6-coordinate geometry to five equivalent Rb and one O atom. The O–O bond length is 1.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3GaO3 by Materials Project

Rb3GaO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.04 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.34 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.89 Å) and two longer (3.00 Å) Rb–O bond lengths. Ga3+ is bonded to four O2- atoms to form edge-sharing GaO4 tetrahedra. There is two shorter (1.86 Å) and two longer (1.96 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3AlO3 by Materials Project

Rb3AlO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.00 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.40 Å. In the third Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent RbO4 tetrahedra. There are two shorter (2.85 Å) and two longer (3.02 Å) Rb–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent RbO4 tetrahedra and an edgeedge with one AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.78–1.86 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six Rb1+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb5Ti6AgSe27 by Materials Project

Rb5Ti6AgSe27 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se+1.11- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–4.07 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.11- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve Se+1.11- atoms. There are a spread of Rb–Se bond distances ranging from 3.72–4.01 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to seven Se+1.11- atoms to form distorted TiSe7 pentagonal bipyramids that share a cornercorner with one AgSe6 octahedra, an edgeedge with one TiSe7 pentagonal bipyramid, and a faceface with one TiSe7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. There are a spread of Ti–Se bond distances ranging from 2.54–2.80 Å. In the second Ti4+ site, Ti4+ is bonded to seven Se+1.11- atoms to form distorted TiSe7 pentagonal bipyramids that share a cornercorner with one AgSe6 octahedra, an edgeedge with one TiSe7 pentagonal bipyramid, and a faceface with one TiSe7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are a spread of Ti–Se bond distances ranging from 2.53–2.76 Å. Ag1+ is bonded to six Se+1.11- atoms to form AgSe6 octahedra that share corners with six TiSe7 pentagonal bipyramids. There are three shorter (2.88 Å) and three longer (2.91 Å) Ag–Se bond lengths. There are nine inequivalent Se+1.11- sites. In the first Se+1.11- site, Se+1.11- is bonded in a 4-coordinate geometry to one Rb1+, two Ti4+, and one Se+1.11- atom. The Se–Se bond length is 2.42 Å. In the second Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two Rb1+ and two Ti4+ atoms. In the third Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one Rb1+, two Ti4+, and one Se+1.11- atom. The Se–Se bond length is 2.39 Å. In the fourth Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one Rb1+, one Ti4+, one Ag1+, and one Se+1.11- atom. The Se–Se bond length is 2.41 Å. In the fifth Se+1.11- site, Se+1.11- is bonded in a 4-coordinate geometry to one Rb1+, one Ti4+, one Ag1+, and one Se+1.11- atom. In the sixth Se+1.11- site, Se+1.11- is bonded to four Rb1+ and two Ti4+ atoms to form distorted face-sharing SeRb4Ti2 octahedra. In the seventh Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to one Rb1+, two Ti4+, and one Se+1.11- atom. In the eighth Se+1.11- site, Se+1.11- is bonded in a 1-coordinate geometry to one Rb1+, one Ti4+, and one Se+1.11- atom. In the ninth Se+1.11- site, Se+1.11- is bonded in a 1-coordinate geometry to two Rb1+ and one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Zr3OF12 by Materials Project

Rb2Zr3OF12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form face-sharing RbF12 cuboctahedra. There are six shorter (2.77 Å) and six longer (3.18 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent F1- atoms to form distorted corner-sharing RbF6 cuboctahedra. The corner-sharing octahedral tilt angles are 72°. All Rb–F bond lengths are 2.84 Å. In the third Rb1+ site, Rb1+ is bonded to six F1- atoms to form distorted RbF6 octahedra that share corners with three equivalent RbF6 cuboctahedra and a faceface with one RbF12 cuboctahedra. There are three shorter (2.87 Å) and three longer (2.95 Å) Rb–F bond lengths. Zr4+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Zr–O bond length is 2.10 Å. There are a spread of Zr–F bond distances ranging from 2.02–2.23 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Zr4+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Rb1+ and two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Rb1+ and one Zr4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Hf3OF12 by Materials Project

Rb2Hf3OF12 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form face-sharing RbF12 cuboctahedra. There are six shorter (2.74 Å) and six longer (3.13 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent F1- atoms to form distorted corner-sharing RbF6 cuboctahedra. The corner-sharing octahedral tilt angles are 74°. All Rb–F bond lengths are 2.82 Å. In the third Rb1+ site, Rb1+ is bonded to six F1- atoms to form distorted RbF6 octahedra that share corners with three equivalent RbF6 cuboctahedra and a faceface with one RbF12 cuboctahedra. There are three shorter (2.87 Å) and three longer (2.96 Å) Rb–F bond lengths. Hf4+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Hf–O bond length is 2.07 Å. There are a spread of Hf–F bond distances ranging from 1.99–2.20 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hf4+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Hf4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two Rb1+ and one Hf4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Sm(PS4)2 by Materials Project

Rb3Sm(PS4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–4.02 Å. In the second Rb1+ site, Rb1+ is bonded to seven S2- atoms to form distorted RbS7 hexagonal pyramids that share corners with two equivalent RbS7 hexagonal pyramids, a cornercorner with one PS4 tetrahedra, and edges with three PS4 tetrahedra. There are a spread of Rb–S bond distances ranging from 3.34–3.63 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.89 Å. Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.88–3.16 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share a cornercorner with one RbS7 hexagonal pyramid and edges with two equivalent RbS7 hexagonal pyramids. There are a spread of P–S bond distances ranging from 2.02–2.07 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share an edgeedge with one RbS7 hexagonal pyramid. There are three shorter (2.05 Å) and one longer (2.07 Å) P–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Rb1+, one Sm3+, and one P5+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three Rb1+, one Sm3+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Rb1+, one Sm3+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+, two equivalent Sm3+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to three Rb1+, one Sm3+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to four Rb1+, one Sm3+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one P5+ atom. In the eighth S2- site, S2- is bonded in a 1-coordinate geometry to four Rb1+, one Sm3+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3SbSe3 by Materials Project

Rb3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.46 Å) and three longer (3.64 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of corner, edge, and face-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 33–62°. There are three shorter (3.73 Å) and three longer (3.89 Å) Rb–Se bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner, edge, and face-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 33–41°. There are three shorter (3.48 Å) and three longer (3.61 Å) Rb–Se bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.60 Å. Se2- is bonded to six Rb1+ and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing SeRb6Sb pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb6Ge2O7 by Materials Project

Rb6Ge2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.12 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.11 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.13 Å. Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.77–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb6Si2O7 by Materials Project

Rb6Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.11 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.06 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.05 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.71 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to four Rb1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3InS3 by Materials Project

Rb3InS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are four shorter (3.44 Å) and two longer (3.88 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with four equivalent InS4 tetrahedra, edges with three equivalent RbS6 octahedra, and edges with two equivalent InS4 tetrahedra. There are a spread of Rb–S bond distances ranging from 3.32–3.59 Å. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.19–3.57 Å. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent RbS6 octahedra, edges with two equivalent RbS6 octahedra, and an edgeedge with one InS4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–44°. There are a spread of In–S bond distances ranging from 2.45–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to six Rb1+ and one In3+ atom to form a mixture of distorted edge, face, and corner-sharing SRb6In pentagonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Rb1+ and two equivalent In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbClO3 by Materials Project

RbClO3 is Potassium chlorate-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine equivalent O atoms. There are three shorter (3.04 Å) and six longer (3.19 Å) Rb–O bond lengths. O is bonded in a 1-coordinate geometry to three equivalent Rb and one Cl atom. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBi2 by Materials Project

Bi2Rb is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Bi atoms. All Rb–Bi bond lengths are 4.03 Å. Bi is bonded to six equivalent Rb and six equivalent Bi atoms to form a mixture of corner, edge, and face-sharing BiRb6Bi6 cuboctahedra. All Bi–Bi bond lengths are 3.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbIO4 by Materials Project

RbIO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.99 Å) and four longer (3.05 Å) Rb–O bond lengths. O is bonded in a 1-coordinate geometry to two equivalent Rb and one I atom. The O–I bond length is 1.80 Å. I is bonded in a tetrahedral geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbH2OF by Materials Project

RbH2OF crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to six equivalent H1+, three equivalent O2-, and four equivalent F1- atoms. There are a spread of Rb–H bond distances ranging from 2.93–3.08 Å. There are one shorter (2.91 Å) and two longer (3.30 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.90–2.95 Å. H1+ is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a distorted water-like geometry to three equivalent Rb1+ and two equivalent H1+ atoms. F1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗