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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb(BH)5 by Materials Project

Rb2(BH)9BH crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four boranediylradical molecules and one Rb2(BH)9 sheet oriented in the (-1, 0, 2) direction. In the Rb2(BH)9 sheet, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Rb–H bond distances ranging from 2.52–3.12 Å. In the second Rb site, Rb is bonded in a distorted pentagonal pyramidal geometry to six H atoms. There are a spread of Rb–H bond distances ranging from 2.71–3.11 Å. There are nine inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the fifth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the sixth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the seventh B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the eighth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the ninth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. There are nine inequivalent H sites. In the first H site, H is bonded in a distorted single-bond geometry to one Rb and one B atom. In the second H site, H is bonded in a distorted single-bond geometry to one Rb and one B atom. In the third H site, H is bonded in a distorted single-bond geometry to two Rb and one B atom. In the fourth H site, H is bonded in a distorted single-bond geometry to two Rb and one B atom. In the fifth H site, H is bonded in a distorted single-bond geometry to two equivalent Rb and one B atom. In the sixth H site, H is bonded in a distorted bent 120 degrees geometry to one Rb and one B atom. In the seventh H site, H is bonded in a distorted bent 150 degrees geometry to one Rb and one B atom. In the eighth H site, H is bonded in a distorted bent 120 degrees geometry to one Rb and one B atom. In the ninth H site, H is bonded in a distorted single-bond geometry to one Rb and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(IO3)3 by Materials Project

Rb(O3I)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.43 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Rb and two I atoms. There are one shorter (1.85 Å) and one longer (2.47 Å) O–I bond lengths. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and two I atoms. There are one shorter (1.87 Å) and one longer (2.67 Å) O–I bond lengths. In the fourth O site, O is bonded in a 1-coordinate geometry to one Rb and two I atoms. There are one shorter (1.85 Å) and one longer (2.57 Å) O–I bond lengths. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a 1-coordinate geometry to one Rb and two I atoms. There are one shorter (1.86 Å) and one longer (2.61 Å) O–I bond lengths. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one I atom. The O–I bond length is 1.84 Å. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one I atom. The O–I bond length is 1.87 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to four O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a 6-coordinate geometry to six O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to twelve Rb atoms to form a mixture of edge, corner, and face-sharing RbRb12 cuboctahedra. There are six shorter (5.05 Å) and six longer (5.08 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to twelve Rb atoms to form a mixture of edge, corner, and face-sharing RbRb12 cuboctahedra. All Rb–Rb bond lengths are 5.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to twelve equivalent Rb atoms to form a mixture of face and edge-sharing RbRb12 cuboctahedra. All Rb–Rb bond lengths are 5.03 Å. In the second Rb site, Rb is bonded in a 2-coordinate geometry to six Rb atoms. Both Rb–Rb bond lengths are 4.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is beta structured and crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a distorted water-like geometry to two equivalent Rb atoms. Both Rb–Rb bond lengths are 5.00 Å. In the second Rb site, Rb is bonded in a 3-coordinate geometry to six Rb atoms. All Rb–Rb bond lengths are 4.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(Mg4Al3)4 by Materials Project

Rb(Mg4Al3)4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb is bonded in a 3-coordinate geometry to seven Mg and nine Al atoms. There are a spread of Rb–Mg bond distances ranging from 3.13–3.57 Å. There are six shorter (3.34 Å) and three longer (3.41 Å) Rb–Al bond lengths. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.18 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.13 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to one Rb, six Mg, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.28 Å. There are a spread of Mg–Al bond distances ranging from 2.82–3.33 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to one Rb, seven Mg, and five Al atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.97–3.15 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.17 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.23 Å. In the fifth Mg site, Mg is bonded in a 7-coordinate geometry to one Rb, three equivalent Mg, and twelve Al atoms. There are a spread of Mg–Al bond distances ranging from 3.18–3.29 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Rb, eight Mg, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.84 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to one Rb, seven Mg, and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(SeO3)2 by Materials Project

Rb(SeO3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.31 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a trigonal planar geometry to three O atoms. All Se–O bond lengths are 1.65 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.66 Å) and two longer (1.67 Å) Se–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(In3Au2)2 by Materials Project

Rb(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rb is bonded to six equivalent Au and six equivalent In atoms to form face-sharing RbIn6Au6 cuboctahedra. All Rb–Au bond lengths are 3.74 Å. All Rb–In bond lengths are 3.65 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent Rb and six In atoms. There are two shorter (2.91 Å) and four longer (2.94 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.90 Å) and six longer (3.00 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Rb and four Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structures and Magnetic Properties of K 2 Pd 4 U 6 S 17 , K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 Synthesized Using the Boron–Chalcogen Mixture Method

A series of A 2 M 4 U 6 S 17 (A = Alkali metal, M = Pd or Pt) compounds, specifically K 2 Pd 4 U 6 S 17 , K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , were synthesized using the combined Boron-Chalcogen Mixture (BCM) and molten flux crystal growth methods. The formation of the Rb- and Cs- containing analogues resulted from the in-situ alkali polysulfide flux formation formed from the alkali carbonates. The successful synthesis of single crystals of the title compounds allowed for their structural characterization by single crystal X-ray diffraction. The structure determination revealed disorder of the alkali cations in Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , while the potassium cations in K 2 Pd 4 U 6 S 17 and K 2 Pt 4 U 6 S 17 were fully ordered. Here, magnetic measurements were performed on samples of K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 that contained small amounts of paramagnetic β-US 2 and diamagnetic PtS. Antiferromagnetic order is observed at T N = 9.1 K for K 2 Pt 4 U 6 S 17 . No long-range magnetic order was observed for Rb 2 Pt 4 U 6 S 17 and Cs 2 Pt 4 U 6 S 17 . Uranium moments of 2.5, 2.6, and 2.6 μB were measured for K 2 Pt 4 U 6 S 17 , Rb 2 Pt 4 U 6 S 17 , and Cs 2 Pt 4 U 6 S 17 , respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

In Situ Observation of Ion Migration in a Ferroelectric Ionic Conductor Rb-KTP during Thermal Annealing

Ion exchange in Rb-doped KTiOPO 4 has facilitated significant advancements in ferroelectric domain engineering, yet understanding the underlying mechanisms remains in its infancy. We perform time-of-flight secondary ion mass spectrometry analysis on multiple periodically ion-exchanged and periodically poled Rb-doped KTiOPO 4 samples under different temperatures and annealing durations. The results are compared between annealing in air, which involved ex situ annealing before periodic poling, and vacuum annealing conducted in situ after periodic poling. The Rb + diffusion profile after periodic ion exchange forms a tooth-shaped pattern. We show that in situ annealing causes a surface pinning effect on the nonpolar face, limiting Rb + migration along the polar axis at the surface. Once the pinned layer is removed through milling, the underlying Rb + diffusion is distinctively different from the surface. Additionally, the rate of Rb + diffusion during in situ annealing is linear, while the periodic domain structures remain stable after annealing. These results contribute to understanding the ionic diffusion process in a ferroelectric ionic conductor and using ion exchange to tailor the linear and nonlinear properties of KTiOPO 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(CO)2 by Materials Project

Rb(CO)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Rb(CO)2 sheets oriented in the (1, 0, 0) direction. Rb is bonded in a 6-coordinate geometry to six equivalent O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.06 Å. C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. O is bonded in a distorted single-bond geometry to three equivalent Rb and one C atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(CuO5)2 by Materials Project

Rb(CuO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.81 Å) and four longer (3.04 Å) Rb–O bond lengths. Cu is bonded in a distorted square co-planar geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.81–2.61 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, one Cu, and one O atom. The O–O bond length is 1.39 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and two equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(MoS)9 by Materials Project

Rb(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.44 Å) and six longer (3.53 Å) Rb–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.55 Å. There are two inequivalent S sites. In the first S site, S is bonded in a distorted pentagonal planar geometry to one Rb and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Rb and four Mo atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent Rb atoms to form a mixture of corner, edge, and face-sharing RbRb12 cuboctahedra. All Rb–Rb bond lengths are 5.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is Hg_xSn-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb atoms to form a mixture of corner and edge-sharing RbRb8 hexagonal bipyramids. There are a spread of Rb–Rb bond distances ranging from 4.76–4.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is Indium structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. All Rb–Rb bond lengths are 4.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to twelve equivalent Rb atoms to form a mixture of face, edge, and corner-sharing RbRb12 cuboctahedra. There are six shorter (5.03 Å) and six longer (5.05 Å) Rb–Rb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb by Materials Project

Rb is Magnesium structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded to twelve equivalent Rb atoms to form a mixture of edge, face, and corner-sharing RbRb12 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.99–5.11 Å.

36 MATERIALS SCIENCE↗