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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb3P6N11 by Materials Project

Rb3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Rb–N bond distances ranging from 2.91–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.25 Å) and six longer (3.37 Å) Rb–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rb1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four Rb1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Sb by Materials Project

Rb3Sb is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Rb–Sb bond lengths are 3.71 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to four equivalent Sb3- atoms. There are one shorter (3.77 Å) and three longer (4.18 Å) Rb–Sb bond lengths. Sb3- is bonded to eleven Rb1+ atoms to form a mixture of distorted edge and face-sharing SbRb11 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Cd3Se4 by Materials Project

Rb2Cd3Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven Se2- atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent RbSe7 pentagonal bipyramids, corners with eleven CdSe4 tetrahedra, edges with two equivalent RbSe6 octahedra, edges with two equivalent RbSe7 pentagonal bipyramids, edges with five CdSe4 tetrahedra, and faces with two equivalent RbSe6 octahedra. There are a spread of Rb–Se bond distances ranging from 3.62–3.92 Å. In the second Rb1+ site, Rb1+ is bonded to six Se2- atoms to form distorted RbSe6 octahedra that share corners with ten CdSe4 tetrahedra, edges with two equivalent RbSe6 octahedra, edges with two equivalent RbSe7 pentagonal bipyramids, edges with four CdSe4 tetrahedra, and faces with two equivalent RbSe7 pentagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.51–3.71 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent RbSe6 octahedra, corners with three equivalent RbSe7 pentagonal bipyramids, corners with four CdSe4 tetrahedra, an edgeedge with one RbSe6 octahedra, edges with two equivalent RbSe7 pentagonal bipyramids, and edges with two CdSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 8–92°. There are a spread of Cd–Se bond distances ranging from 2.66–2.81 Å. In the second Cd2+ site, Cd2+ is bonded to four Se2- atoms to form distorted CdSe4 tetrahedra that share corners with two equivalent RbSe6 octahedra, corners with five equivalent RbSe7 pentagonal bipyramids, corners with four equivalent CdSe4 tetrahedra, edges with two equivalent RbSe6 octahedra, an edgeedge with one RbSe7 pentagonal bipyramid, and edges with two equivalent CdSe4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cd–Se bond distances ranging from 2.64–2.79 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three Rb1+ and three Cd2+ atoms. In the second Se2- site, Se2- is bonded to three Rb1+ and three Cd2+ atoms to form a mixture of distorted edge and corner-sharing SeRb3Cd3 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3PS4 by Materials Project

Rb3PS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.57 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.58 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.06 Å) and one longer (2.07 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one P5+ atom to form edge-sharing SRb5P octahedra. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Rb1+ and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six Rb1+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2S5 by Materials Project

Rb2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.42–4.00 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two S+0.40- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2WS4 by Materials Project

Rb2WS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.63–3.91 Å. In the second 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 3.33–3.68 Å. W6+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of W–S bond distances ranging from 2.20–2.22 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom. In the third S2- site, S2- is bonded to four Rb1+ and one W6+ atom to form distorted corner-sharing SRb4W square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3SbS4 by Materials Project

Rb3SbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.90 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one Sb5+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sb5+ atom. In the third S2- site, S2- is bonded to five Rb1+ and one Sb5+ atom to form edge-sharing SRb5Sb octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbAsOF4 by Materials Project

RbAsOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to one O2- and nine F1- atoms. The Rb–O bond length is 3.04 Å. There are a spread of Rb–F bond distances ranging from 2.91–3.37 Å. As5+ is bonded to two equivalent O2- and four F1- atoms to form edge-sharing AsO2F4 octahedra. Both As–O bond lengths are 1.83 Å. There are a spread of As–F bond distances ranging from 1.79–1.82 Å. O2- is bonded in a distorted L-shaped geometry to one Rb1+ and two equivalent As5+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent Rb1+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3SbSe4 by Materials Project

Rb3SbSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–4.04 Å. In the second Rb1+ site, Rb1+ is bonded to seven Se2- atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent RbSe7 pentagonal bipyramids, corners with five equivalent SbSe4 tetrahedra, edges with two equivalent RbSe7 pentagonal bipyramids, and an edgeedge with one SbSe4 tetrahedra. There are a spread of Rb–Se bond distances ranging from 3.47–3.92 Å. Sb5+ is bonded to four Se2- atoms to form SbSe4 tetrahedra that share corners with five equivalent RbSe7 pentagonal bipyramids and an edgeedge with one RbSe7 pentagonal bipyramid. There are three shorter (2.52 Å) and one longer (2.53 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Rb1+, one Sb5+, and one Se2- atom. The Se–Se bond length is 3.38 Å. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sb5+ atom. In the third Se2- site, Se2- is bonded to five Rb1+ and one Sb5+ atom to form edge-sharing SeRb5Sb octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3AsSe4 by Materials Project

Rb3AsSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven Se2- atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent RbSe7 pentagonal bipyramids, corners with five equivalent AsSe4 tetrahedra, edges with two equivalent RbSe7 pentagonal bipyramids, and an edgeedge with one AsSe4 tetrahedra. There are a spread of Rb–Se bond distances ranging from 3.50–3.95 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.44–3.88 Å. As5+ is bonded to four Se2- atoms to form AsSe4 tetrahedra that share corners with five equivalent RbSe7 pentagonal bipyramids and an edgeedge with one RbSe7 pentagonal bipyramid. There are a spread of As–Se bond distances ranging from 2.35–2.38 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Rb1+, one As5+, and one Se2- atom. The Se–Se bond length is 3.40 Å. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to six Rb1+ and one As5+ atom. In the third Se2- site, Se2- is bonded to five Rb1+ and one As5+ atom to form edge-sharing SeRb5As octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbZnPO4 by Materials Project

RbZnPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight O2- atoms to form distorted RbO8 hexagonal bipyramids that share corners with two equivalent RbO8 hexagonal bipyramids, corners with four ZnO4 tetrahedra, corners with four PO4 tetrahedra, edges with two equivalent RbO8 hexagonal bipyramids, edges with two ZnO4 tetrahedra, and edges with two PO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.88–3.25 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 2.94–3.03 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent RbO8 hexagonal bipyramids, corners with four PO4 tetrahedra, and an edgeedge with one RbO8 hexagonal bipyramid. There are a spread of Zn–O bond distances ranging from 1.97–1.99 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent RbO8 hexagonal bipyramids, corners with four PO4 tetrahedra, and an edgeedge with one RbO8 hexagonal bipyramid. There are a spread of Zn–O bond distances ranging from 1.95–1.99 Å. There are two 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 RbO8 hexagonal bipyramids, corners with four ZnO4 tetrahedra, and an edgeedge with one RbO8 hexagonal bipyramid. All P–O bond lengths are 1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent RbO8 hexagonal bipyramids, corners with four ZnO4 tetrahedra, and an edgeedge with one RbO8 hexagonal bipyramid. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Zn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Zn2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Zn2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Cd3S4 by Materials Project

Rb2Cd3S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven S2- atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent RbS7 pentagonal bipyramids, corners with six equivalent CdS4 tetrahedra, edges with two equivalent RbS6 octahedra, edges with two equivalent RbS7 pentagonal bipyramids, edges with four equivalent CdS4 tetrahedra, and faces with two equivalent RbS6 octahedra. There are a spread of Rb–S bond distances ranging from 3.51–3.86 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with eight equivalent CdS4 tetrahedra, edges with two equivalent RbS6 octahedra, edges with two equivalent RbS7 pentagonal bipyramids, edges with two equivalent CdS4 tetrahedra, and faces with two equivalent RbS7 pentagonal bipyramids. There are a spread of Rb–S bond distances ranging from 3.36–3.58 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent RbS6 octahedra, corners with three equivalent RbS7 pentagonal bipyramids, corners with two equivalent CdS4 tetrahedra, an edgeedge with one RbS6 octahedra, edges with two equivalent RbS7 pentagonal bipyramids, and an edgeedge with one CdS4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–91°. There are a spread of Cd–S bond distances ranging from 2.54–2.69 Å. In the second Cd2+ site, Cd2+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are a spread of Cd–S bond distances ranging from 2.52–2.67 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Rb1+ and three Cd2+ atoms. In the second S2- site, S2- is bonded to three Rb1+ and three Cd2+ atoms to form a mixture of distorted corner and edge-sharing SRb3Cd3 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the third S2- site, S2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Ti(Si2O5)3 by Materials Project

Rb2Ti(Si2O5)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 3.05–3.39 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.46 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.94–2.01 Å. There are six inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the sixth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Ti4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+, one Ti4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Ti4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Ti4+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Ti4+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two Si4+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Ti4+, and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two Si4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Si4+ atoms. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2MoS4 by Materials Project

Rb2MoS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first 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 3.34–3.67 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.63–3.92 Å. Mo6+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Mo–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2WO4 by Materials Project

Rb2WO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.41 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.41 Å. W6+ is bonded in a tetrahedral geometry to four O2- atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2LiVO4 by Materials Project

Rb2LiVO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two 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 2.91–3.08 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.35 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent VO4 tetrahedra and an edgeedge with one VO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.07 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.75 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Li1+, and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Li1+, and one V5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Li1+, and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2MoO4 by Materials Project

Rb2MoO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.38 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.37 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2MnV2O7 by Materials Project

Rb2V2MnO7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (3.04 Å) and four longer (3.09 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.27 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one V5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent V5+ atoms.

36 MATERIALS SCIENCE↗