Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Rb”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb15W7N19 by Materials Project

Rb15W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are sixteen inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.85–3.19 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.91–3.41 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.89–3.34 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.79–3.50 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.82–3.12 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.47 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.92–3.16 Å. In the eighth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.82–3.18 Å. In the ninth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.57 Å. In the tenth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.01–3.36 Å. In the eleventh Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.78–3.18 Å. In the twelfth Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 2.93–3.55 Å. In the thirteenth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.81–3.30 Å. In the fourteenth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.72–3.43 Å. In the fifteenth Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six N3- atoms. There are two shorter (3.04 Å) and four longer (3.26 Å) Rb–N bond lengths. In the sixteenth Rb1+ site, Rb1+ is bonded in a hexagonal planar geometry to six N3- atoms. There are a spread of Rb–N bond distances ranging from 3.08–3.29 Å. There are seven inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.94 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.95 Å. In the third W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.95 Å. In the fourth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the fifth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.79–1.94 Å. In the sixth W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the seventh W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.83–1.98 Å. There are nineteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to three Rb1+ and two W6+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three Rb1+ and two W6+ atoms. In the fifth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the sixth N3- site, N3- is bonded to four Rb1+ and one W6+ atom to form distorted edge-sharing NRb4W trigonal bipyramids. In the seventh N3- site, N3- is bonded in a 1-coordinate geometry to six Rb1+ and one W6+ atom. In the eighth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the ninth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the tenth N3- site, N3- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the eleventh N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two W6+ atoms. In the twelfth N3- site, N3- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom. In the thirteenth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 2-coordinate geometry to four Rb1+ and two W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the sixteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Rb1+ and two W6+ atoms. In the seventeenth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. In the eighteenth N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the nineteenth N3- site, N3- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Pb4Au by Materials Project

Rb3AuPb4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Rb, two equivalent Au, and eight Pb atoms. Both Rb–Rb bond lengths are 4.08 Å. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Pb bond distances ranging from 3.72–4.27 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to one Rb and three Pb atoms. There are one shorter (3.63 Å) and two longer (3.77 Å) Rb–Pb bond lengths. Au is bonded in a 6-coordinate geometry to two equivalent Rb and four Pb atoms. There are two shorter (2.91 Å) and two longer (2.93 Å) Au–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Rb and one Au atom. In the second Pb site, Pb is bonded in a 2-coordinate geometry to three Rb and one Au atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbH2O2F by Materials Project

RbH2O2F crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (3.00 Å) and four longer (3.06 Å) Rb–O bond lengths. In the second Rb site, Rb is bonded to six F atoms to form distorted edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.88–3.00 Å. In the third Rb site, Rb is bonded in a 1-coordinate geometry to four O and four F atoms. There are two shorter (3.03 Å) and two longer (3.15 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.76–3.17 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.54 Å. In the second H site, H is bonded in a distorted linear geometry to one O and one F atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.53 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one H atom. In the second O site, O is bonded in a single-bond geometry to two Rb and one H atom. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to four Rb and two equivalent H atoms. In the second F site, F is bonded in a 2-coordinate geometry to three Rb and two equivalent H atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbPO4 by Materials Project

RbPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.16 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.34 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.33 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the eighth O site, O is bonded in a single-bond geometry to one Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbO2F by Materials Project

RbO2F crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to four O and four F atoms. There are two shorter (3.08 Å) and two longer (3.24 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.69–3.00 Å. In the second Rb site, Rb is bonded to six F atoms to form edge-sharing RbF6 octahedra. There are a spread of Rb–F bond distances ranging from 2.92–3.05 Å. In the third Rb site, Rb is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.99 Å) and four longer (3.00 Å) Rb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two Rb and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a 3-coordinate geometry to two Rb and one O atom. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal planar geometry to three Rb atoms. In the second F site, F is bonded in a rectangular see-saw-like geometry to four Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Zr6BeCl15 by Materials Project

Rb3BeZr6Cl15 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.43–3.78 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.24–3.76 Å. Be is bonded to six Zr atoms to form BeZr6 octahedra that share corners with two equivalent ClRb4Zr2 octahedra and edges with two equivalent ClRb2Zr2 trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. There are two shorter (2.33 Å) and four longer (2.37 Å) Be–Zr bond lengths. There are three inequivalent Zr sites. In the first Zr site, Zr is bonded to one Be and five Cl atoms to form a mixture of edge and corner-sharing ZrBeCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are a spread of Zr–Cl bond distances ranging from 2.58–2.77 Å. In the second Zr site, Zr is bonded to one Be and five Cl atoms to form a mixture of edge and corner-sharing ZrBeCl5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Zr–Cl bond distances ranging from 2.58–2.78 Å. In the third Zr site, Zr is bonded to one Be and five Cl atoms to form a mixture of edge and corner-sharing ZrBeCl5 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are a spread of Zr–Cl bond distances ranging from 2.59–2.74 Å. There are eight inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Zr atoms. In the second Cl site, Cl is bonded to four Rb and two equivalent Zr atoms to form distorted ClRb4Zr2 octahedra that share corners with two equivalent BeZr6 octahedra, corners with two equivalent ClRb4Zr2 octahedra, corners with two equivalent ClRb2Zr2 trigonal pyramids, and faces with two equivalent ClRb2Zr2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 1–23°. In the third Cl site, Cl is bonded in a 4-coordinate geometry to two Rb and two Zr atoms. In the fourth Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to one Rb and two Zr atoms. In the fifth Cl site, Cl is bonded to two Rb and two Zr atoms to form distorted ClRb2Zr2 trigonal pyramids that share a cornercorner with one ClRb4Zr2 octahedra, a cornercorner with one ClRb2Zr2 trigonal pyramid, an edgeedge with one BeZr6 octahedra, and a faceface with one ClRb4Zr2 octahedra. The corner-sharing octahedral tilt angles are 40°. In the sixth Cl site, Cl is bonded in a 3-coordinate geometry to one Rb and two Zr atoms. In the seventh Cl site, Cl is bonded in a distorted T-shaped geometry to one Rb and two Zr atoms. In the eighth Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to two Rb and two Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2MoO8 by Materials Project

Rb2MoO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.32 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.48 Å. Mo is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of Mo–O bond distances ranging from 1.99–2.02 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Rb, one Mo, and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded in a 4-coordinate geometry to two Rb, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a 1-coordinate geometry to three Rb, one Mo, and one O atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two Rb, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to three Rb, one Mo, and one O atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two Rb, one Mo, and one O atom. In the seventh O site, O is bonded in a 1-coordinate geometry to three Rb, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the eighth O site, O is bonded in a 1-coordinate geometry to three Rb, one Mo, and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb12Sn2Bi6O by Materials Project

Rb12Sn2Bi6O crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to two equivalent Rb, two equivalent Sn, and six equivalent Bi atoms. There are one shorter (3.86 Å) and one longer (3.87 Å) Rb–Rb bond lengths. There are one shorter (4.15 Å) and one longer (4.17 Å) Rb–Sn bond lengths. There are a spread of Rb–Bi bond distances ranging from 4.19–4.26 Å. In the second Rb site, Rb is bonded in a distorted single-bond geometry to four equivalent Bi and one O atom. There are a spread of Rb–Bi bond distances ranging from 3.77–4.09 Å. The Rb–O bond length is 2.85 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Rb and three equivalent Bi atoms. All Sn–Bi bond lengths are 2.86 Å. Bi is bonded in a 11-coordinate geometry to ten Rb and one Sn atom. O is bonded in an octahedral geometry to six equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PSO8 by Materials Project

Rb2PSO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.31 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.38 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the fifth O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the sixth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4C2O9 by Materials Project

Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb, one C, and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.28 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 3.08–3.29 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4Te(MoO4)6 by Materials Project

Rb4Te(MoO4)6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.45 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.19 Å. There are three 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 1.74–2.45 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 1.75–2.38 Å. In the third Mo site, Mo is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.25 Å. Te is bonded in a distorted see-saw-like geometry to four O atoms. There are two shorter (1.91 Å) and two longer (2.16 Å) Te–O bond lengths. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two Mo atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to four Mo atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Mo atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Mo atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and two Mo atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Mo and one Te atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the twelfth O site, O is bonded in an L-shaped geometry to two Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4Nb35Al2O70 by Materials Project

Rb4Al2Nb35O70 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to twelve O atoms to form distorted RbO12 cuboctahedra that share corners with six NbO6 octahedra, edges with three equivalent RbO12 cuboctahedra, edges with three equivalent NbO6 octahedra, edges with three equivalent NbO5 square pyramids, and faces with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There are a spread of Rb–O bond distances ranging from 3.11–3.27 Å. In the second Rb site, Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with three equivalent NbO6 octahedra, corners with six NbO5 square pyramids, edges with three equivalent NbO5 square pyramids, faces with four NbO6 octahedra, and faces with three equivalent NbO5 square pyramids. The corner-sharing octahedral tilt angles are 43°. There are a spread of Rb–O bond distances ranging from 2.95–3.06 Å. There are eight inequivalent Nb sites. In the first Nb site, Nb is bonded to six O atoms to form distorted NbO6 octahedra that share a cornercorner with one RbO12 cuboctahedra, corners with two NbO6 octahedra, corners with three equivalent NbO5 square pyramids, a cornercorner with one AlO4 tetrahedra, an edgeedge with one RbO12 cuboctahedra, edges with two equivalent NbO6 octahedra, and a faceface with one RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Nb–O bond distances ranging from 1.87–2.33 Å. In the second Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra, corners with three equivalent NbO5 square pyramids, edges with three equivalent NbO5 square pyramids, and a faceface with one RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (2.02 Å) and three longer (2.04 Å) Nb–O bond lengths. In the third Nb site, Nb is bonded to five O atoms to form NbO5 square pyramids that share corners with four NbO6 octahedra, corners with four equivalent NbO5 square pyramids, an edgeedge with one RbO12 cuboctahedra, and an edgeedge with one NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–53°. There are a spread of Nb–O bond distances ranging from 2.07–2.28 Å. In the fourth Nb site, Nb is bonded to five O atoms to form NbO5 square pyramids that share a cornercorner with one RbO12 cuboctahedra, corners with three equivalent NbO6 octahedra, corners with four NbO5 square pyramids, a cornercorner with one AlO4 tetrahedra, an edgeedge with one RbO12 cuboctahedra, and an edgeedge with one NbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Nb–O bond distances ranging from 2.08–2.24 Å. In the fifth Nb site, Nb is bonded to five O atoms to form NbO5 square pyramids that share a cornercorner with one RbO12 cuboctahedra, corners with three NbO6 octahedra, corners with four NbO5 square pyramids, a cornercorner with one AlO4 tetrahedra, an edgeedge with one NbO6 octahedra, and a faceface with one RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–15°. There are a spread of Nb–O bond distances ranging from 2.05–2.35 Å. In the sixth Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share a cornercorner with one RbO12 cuboctahedra, a cornercorner with one NbO6 octahedra, corners with five NbO5 square pyramids, edges with two equivalent NbO6 octahedra, an edgeedge with one NbO5 square pyramid, and a faceface with one RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Nb–O bond distances ranging from 1.95–2.21 Å. In the seventh Nb site, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra, corners with three equivalent NbO5 square pyramids, and edges with three equivalent NbO5 square pyramids. The corner-sharing octahedral tilt angles are 41°. There are three shorter (1.97 Å) and three longer (2.13 Å) Nb–O bond lengths. In the eighth Nb site, Nb is bonded to six equivalent O atoms to form NbO6 octahedra that share corners with six equivalent RbO12 cuboctahedra and corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Nb–O bond lengths are 2.04 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent NbO6 octahedra and corners with six NbO5 square pyramids. The corner-sharing octahedral tilt angles are 56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Al–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb and three Nb atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Rb and three Nb atoms. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to one Rb and three Nb atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to one Rb and three Nb atoms. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to one Rb and three Nb atoms. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two Nb atoms. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two equivalent Nb atoms. In the eighth O site, O is bonded in a distorted T-shaped geometry to two Nb and one Al atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to three Nb atoms. In the tenth O site, O is bonded in a T-shaped geometry to three Nb atoms. In the eleventh O site, O is bonded in a 1-coordinate geometry to three equivalent Nb and one Al atom. In the twelfth O site, O is bonded in a distorted T-shaped geometry to three Nb atoms. In the thirteenth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one RbSO4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.41 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.22 Å. There are two inequivalent S sites. In the first S site, S is bonded in a bent 120 degrees geometry to two O atoms. Both S–O bond lengths are 1.45 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2CuC2O7 by Materials Project

Rb2CuC2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.43 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.05 Å. Cu is bonded to five O atoms to form distorted corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.47 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.33 Å) C–O bond length. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.32 Å) C–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Rb, two equivalent Cu, and one C atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb, one Cu, and one C atom. In the third O site, O is bonded in a distorted water-like geometry to one Rb, one Cu, and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four Rb and one C atom. In the fifth O site, O is bonded in a 4-coordinate geometry to four Rb atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Rb, one Cu, and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Te(PO7)2 by Materials Project

Rb3Te(PO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted q6 geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.35 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.24 Å. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.94 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the third O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one Te atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Rb and one Te atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Rb and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Nd by Materials Project

Rb3Nd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted square co-planar geometry to eight equivalent Rb and four equivalent Nd atoms. All Rb–Rb bond lengths are 4.66 Å. All Rb–Nd bond lengths are 4.35 Å. In the second Rb site, Rb is bonded to eight Rb and four equivalent Nd atoms to form RbRb8Nd4 cuboctahedra that share corners with twelve equivalent RbRb8Nd4 cuboctahedra, edges with eight equivalent RbRb8Nd4 cuboctahedra, edges with eight equivalent NdRb12 cuboctahedra, faces with four equivalent NdRb12 cuboctahedra, and faces with ten equivalent RbRb8Nd4 cuboctahedra. All Rb–Rb bond lengths are 4.35 Å. All Rb–Nd bond lengths are 4.66 Å. Nd is bonded to twelve Rb atoms to form NdRb12 cuboctahedra that share corners with four equivalent NdRb12 cuboctahedra, edges with eight equivalent NdRb12 cuboctahedra, edges with sixteen equivalent RbRb8Nd4 cuboctahedra, faces with four equivalent NdRb12 cuboctahedra, and faces with eight equivalent RbRb8Nd4 cuboctahedra.

36 MATERIALS SCIENCE↗