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12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Cs 3 Bi 2 I 9 -hydroxyapatite composite waste forms for cesium and iodine immobilization

Perovskite-based ceramic composites were developed as potential waste form materials for immobilizing cesium (Cs) and iodine (I) with high waste loadings and chemical durability. The perovskite Cs 3 Bi 2 I 9 has high Cs (22 wt%) and I (58 wt%) content, and thus can be used as a potential host phase to immobilize these critical radionuclides. In this work, the perovskite Cs 3 Bi 2 I 9 phase was synthesized by a cost effective solution-based approach, and was embedded into a highly durable hydroxyapatite matrix by spark plasma sintering to form dense ceramic composite waste forms. The chemical durabilities of the monolithic Cs 3 Bi 2 I 9 and Cs 3 Bi 2 I 9 -hydroxyapatite composite pellets were investigated by static and semi-dynamic leaching tests, respectively. Cs and I are incongruently released from the matrix for both pure Cs 3 Bi 2 I 9 and composite structures. The normalized Cs release rate is faster than that of I, which can be explained by the difference in the strengths between Cs-I and Bi-I bonds as well as the formation of insoluble micrometer-sized BiOI precipitates. The activation energies of elemental releases based on dissolution and diffusion-controlled mechanisms are determined with significantly higher energy barriers for dissolution from the composite versus that of the monolithic Cs 3 Bi 2 I 9 . The ceramic-based composite waste forms exhibit excellent chemical durabilities and waste loadings, commensurate with the state-of-the-art glass-bonded perovskite composites for I and Cs immobilization.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1977

Variable temperature pressure cell for polycrystalline X-ray studies down to 2 K - Application to Bi

A variable pressure diamond anvil cell is described for operation at temperatures continuously variable from 300 down to 2 K and controllable within 10 mK. Polycrystalline X-ray data are collected from the pressure cavity by means of either (1) standard photographic techniques, (2) diffractometer measurements, or (3) energy dispersive diffractometry. The facility has been used to examine parts of the phase diagram of Bi. Results from this study indicate that the Bi-I and Bi-III structures are retained to low temperatures; however, there is no evidence to support a structural transition from Bi-V to Bi-VIII.

Skelton, E. F.↗
DOE OSTI2020

Materials Data on BiI3 by Materials Project

BiI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three BiI3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six equivalent I1- atoms to form edge-sharing BiI6 octahedra. There are three shorter (3.10 Å) and three longer (3.13 Å) Bi–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YBi by Materials Project

YBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded to six equivalent Bi atoms to form a mixture of corner and edge-sharing YBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Bi bond lengths are 3.17 Å. Bi is bonded to six equivalent Y atoms to form a mixture of corner and edge-sharing BiY6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiI by Materials Project

BiI crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of eight BiI ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Bi–I bond lengths. In the second Bi1+ site, Bi1+ is bonded in a single-bond geometry to one I1- atom. The Bi–I bond length is 3.82 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to three Bi1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi9I2 by Materials Project

Bi9I2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are nine inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to three Bi and three equivalent I atoms. There are one shorter (3.07 Å) and two longer (3.08 Å) Bi–Bi bond lengths. There are one shorter (3.64 Å) and two longer (3.69 Å) Bi–I bond lengths. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. There are one shorter (3.09 Å) and one longer (3.56 Å) Bi–Bi bond lengths. In the third Bi site, Bi is bonded in a 4-coordinate geometry to three Bi atoms. Both Bi–Bi bond lengths are 3.08 Å. In the fourth Bi site, Bi is bonded in a distorted rectangular see-saw-like geometry to four Bi atoms. There are one shorter (3.11 Å) and one longer (3.54 Å) Bi–Bi bond lengths. In the fifth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. There are two shorter (3.08 Å) and one longer (3.60 Å) Bi–Bi bond lengths. In the sixth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. The Bi–Bi bond length is 3.11 Å. In the seventh Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. Both Bi–Bi bond lengths are 3.08 Å. In the eighth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. Both Bi–Bi bond lengths are 3.11 Å. In the ninth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Bi and two I atoms. There are one shorter (3.11 Å) and one longer (3.15 Å) Bi–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to four Bi atoms. In the second I site, I is bonded in a single-bond geometry to one Bi atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiI by Materials Project

BiI crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four BiI ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a distorted single-bond geometry to one I1- atom. The Bi–I bond length is 3.87 Å. In the second Bi1+ site, Bi1+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Bi–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to three Bi1+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiI3 by Materials Project

BiI3 is Chromium trichloride-like structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one BiI3 sheet oriented in the (0, 0, 1) direction. Bi3+ is bonded to six equivalent I1- atoms to form edge-sharing BiI6 octahedra. All Bi–I bond lengths are 3.12 Å. I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi4I by Materials Project

Bi4I crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted rectangular see-saw-like geometry to three Bi and one I atom. There are two shorter (3.08 Å) and one longer (3.09 Å) Bi–Bi bond lengths. The Bi–I bond length is 3.64 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to three Bi and three equivalent I atoms. There are one shorter (3.07 Å) and two longer (3.09 Å) Bi–Bi bond lengths. There are one shorter (3.62 Å) and two longer (3.70 Å) Bi–I bond lengths. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.07–3.57 Å. In the fourth Bi site, Bi is bonded in a distorted rectangular see-saw-like geometry to four Bi atoms. The Bi–Bi bond length is 3.55 Å. In the fifth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. The Bi–Bi bond length is 3.12 Å. In the sixth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Bi and two I atoms. Both Bi–Bi bond lengths are 3.11 Å. There are one shorter (3.12 Å) and one longer (3.17 Å) Bi–I bond lengths. In the seventh Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. The Bi–Bi bond length is 3.56 Å. In the eighth Bi site, Bi is bonded in a 4-coordinate geometry to four Bi atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted single-bond geometry to four Bi atoms. In the second I site, I is bonded in a single-bond geometry to two Bi atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5Bi3 by Materials Project

Y5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded to five Bi atoms to form distorted YBi5 square pyramids that share corners with five equivalent YBi6 octahedra, corners with four equivalent YBi5 trigonal bipyramids, an edgeedge with one YBi6 octahedra, edges with two equivalent YBi5 square pyramids, an edgeedge with one YBi5 trigonal bipyramid, a faceface with one YBi6 octahedra, and a faceface with one YBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 37–45°. There are a spread of Y–Bi bond distances ranging from 3.18–3.27 Å. In the second Y site, Y is bonded to six Bi atoms to form distorted YBi6 octahedra that share corners with five equivalent YBi5 square pyramids, corners with six equivalent YBi5 trigonal bipyramids, an edgeedge with one YBi5 square pyramid, edges with two equivalent YBi5 trigonal bipyramids, faces with two equivalent YBi6 octahedra, and a faceface with one YBi5 square pyramid. There are a spread of Y–Bi bond distances ranging from 3.14–3.46 Å. In the third Y site, Y is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Y–Bi bond distances ranging from 3.12–3.53 Å. In the fourth Y site, Y is bonded to five Bi atoms to form distorted YBi5 trigonal bipyramids that share corners with six equivalent YBi6 octahedra, corners with four equivalent YBi5 square pyramids, edges with two equivalent YBi6 octahedra, an edgeedge with one YBi5 square pyramid, edges with two equivalent YBi5 trigonal bipyramids, and a faceface with one YBi5 square pyramid. The corner-sharing octahedra tilt angles range from 31–41°. There are a spread of Y–Bi bond distances ranging from 3.15–3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Y atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiI3 by Materials Project

BiI3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Bi–I bond lengths are 3.52 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All I–I bond lengths are 3.52 Å. In the second I1- site, I1- is bonded to four equivalent Bi3+ and four equivalent I1- atoms to form a mixture of distorted edge, corner, and face-sharing IBi4I4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Bi by Materials Project

Y3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Bi atoms to form distorted YY8Bi4 cuboctahedra that share corners with twelve equivalent YY8Bi4 cuboctahedra, edges with eight equivalent BiY12 cuboctahedra, edges with sixteen equivalent YY8Bi4 cuboctahedra, faces with four equivalent BiY12 cuboctahedra, and faces with fourteen equivalent YY8Bi4 cuboctahedra. All Y–Y bond lengths are 3.46 Å. All Y–Bi bond lengths are 3.46 Å. Bi is bonded to twelve equivalent Y atoms to form BiY12 cuboctahedra that share corners with twelve equivalent BiY12 cuboctahedra, edges with twenty-four equivalent YY8Bi4 cuboctahedra, faces with six equivalent BiY12 cuboctahedra, and faces with twelve equivalent YY8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗