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DOE OSTI2020

Materials Data on Er5Bi3 by Materials Project

Er5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to five Bi atoms to form distorted ErBi5 square pyramids that share corners with five equivalent ErBi6 octahedra, corners with four equivalent ErBi5 trigonal bipyramids, an edgeedge with one ErBi6 octahedra, edges with two equivalent ErBi5 square pyramids, an edgeedge with one ErBi5 trigonal bipyramid, a faceface with one ErBi6 octahedra, and a faceface with one ErBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Er–Bi bond distances ranging from 3.17–3.23 Å. In the second Er site, Er is bonded to six Bi atoms to form distorted ErBi6 octahedra that share corners with five equivalent ErBi5 square pyramids, corners with six equivalent ErBi5 trigonal bipyramids, an edgeedge with one ErBi5 square pyramid, edges with two equivalent ErBi5 trigonal bipyramids, faces with two equivalent ErBi6 octahedra, and a faceface with one ErBi5 square pyramid. There are a spread of Er–Bi bond distances ranging from 3.10–3.41 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Er–Bi bond distances ranging from 3.09–3.48 Å. In the fourth Er site, Er is bonded to five Bi atoms to form distorted ErBi5 trigonal bipyramids that share corners with six equivalent ErBi6 octahedra, corners with four equivalent ErBi5 square pyramids, edges with two equivalent ErBi6 octahedra, an edgeedge with one ErBi5 square pyramid, edges with two equivalent ErBi5 trigonal bipyramids, and a faceface with one ErBi5 square pyramid. The corner-sharing octahedra tilt angles range from 31–41°. There are a spread of Er–Bi bond distances ranging from 3.11–3.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Er atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5(NiBi2)2 by Materials Project

Ni2Mn5Bi4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent Bi atoms. All Mn–Mn bond lengths are 2.99 Å. All Mn–Ni bond lengths are 2.56 Å. All Mn–Bi bond lengths are 2.85 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Mn, two equivalent Ni, and six Bi atoms. Both Mn–Ni bond lengths are 2.66 Å. There are a spread of Mn–Bi bond distances ranging from 2.94–3.07 Å. Ni is bonded in a 10-coordinate geometry to six Mn and four Bi atoms. There are one shorter (2.66 Å) and three longer (2.89 Å) Ni–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in an octahedral geometry to six equivalent Mn atoms. In the second Bi site, Bi is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Ni atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to six Mn and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Bi6Cl3O7F by Materials Project

Bi6O7Cl3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 1-coordinate geometry to seven O2- and two equivalent Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.82 Å. Both Bi–Cl bond lengths are 3.37 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.30 Å. There are two shorter (3.17 Å) and two longer (3.18 Å) Bi–Cl bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to three equivalent O2-, four Cl1-, and one F1- atom. There are one shorter (2.24 Å) and two longer (2.26 Å) Bi–O bond lengths. There are two shorter (3.15 Å) and two longer (3.28 Å) Bi–Cl bond lengths. The Bi–F bond length is 2.37 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.61 Å. Both Bi–F bond lengths are 2.61 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.36 Å. There are two shorter (3.13 Å) and two longer (3.28 Å) Bi–Cl bond lengths. In the sixth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.37 Å. Both Bi–Cl bond lengths are 3.25 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the sixth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a 8-coordinate geometry to six Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. F1- is bonded in a 4-coordinate geometry to three Bi3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on BiPd by Materials Project

PdBi crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are two shorter (2.90 Å) and one longer (3.08 Å) Pd–Pd bond lengths. There are a spread of Pd–Bi bond distances ranging from 2.91–3.14 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. Both Pd–Pd bond lengths are 2.89 Å. There are a spread of Pd–Bi bond distances ranging from 2.90–3.31 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two Pd and seven Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.94–3.05 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Yb5Bi3 by Materials Project

Yb5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.13–3.73 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to six Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.27–3.81 Å. In the third Yb site, Yb is bonded to five Bi atoms to form distorted edge-sharing YbBi5 square pyramids. There are one shorter (3.27 Å) and four longer (3.34 Å) Yb–Bi bond lengths. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.15–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Yb atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to eight Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc5Bi3 by Materials Project

Sc5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Sc–Bi bond distances ranging from 2.95–3.35 Å. In the second Sc site, Sc is bonded to six Bi atoms to form distorted ScBi6 octahedra that share corners with six equivalent ScBi6 octahedra, corners with four equivalent ScBi5 square pyramids, and faces with two equivalent ScBi5 square pyramids. The corner-sharing octahedra tilt angles range from 32–45°. There are a spread of Sc–Bi bond distances ranging from 2.97–3.28 Å. In the third Sc site, Sc is bonded to five Bi atoms to form distorted ScBi5 square pyramids that share corners with four equivalent ScBi6 octahedra, edges with two equivalent ScBi5 square pyramids, and faces with two equivalent ScBi6 octahedra. The corner-sharing octahedra tilt angles range from 37–46°. There are a spread of Sc–Bi bond distances ranging from 3.01–3.06 Å. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Sc–Bi bond distances ranging from 2.94–3.19 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight Sc 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↗
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Materials Data on NbBi2Mo by Materials Project

NbMoBi2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Mo and ten Bi atoms. All Nb–Mo bond lengths are 3.06 Å. There are four shorter (3.06 Å) and six longer (3.53 Å) Nb–Bi bond lengths. Mo is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Bi atoms. All Mo–Bi bond lengths are 3.06 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Nb and four equivalent Bi atoms to form distorted edge-sharing BiNb4Bi4 tetrahedra. All Bi–Bi bond lengths are 3.06 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Nb, four equivalent Mo, and four equivalent Bi atoms.

36 MATERIALS SCIENCE↗
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Materials Data on BaBiO3 by Materials Project

BaBiO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.60–2.93 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.65–2.92 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.66 Å. In the second Bi site, Bi is bonded in an L-shaped geometry to three O atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.89 Å. There are six inequivalent O sites. In the first O site, O is bonded to three Ba and one Bi atom to form OBa3Bi tetrahedra that share corners with two equivalent OBa3Bi tetrahedra, corners with three equivalent OBa3BiO trigonal bipyramids, a cornercorner with one OBa2BiO trigonal pyramid, an edgeedge with one OBa3BiO trigonal bipyramid, and an edgeedge with one OBa2BiO trigonal pyramid. In the second O site, O is bonded in a 5-coordinate geometry to three Ba, one Bi, and one O atom. The O–O bond length is 1.48 Å. In the third O site, O is bonded in a 3-coordinate geometry to one Ba, one Bi, and one O atom. The O–O bond length is 1.48 Å. In the fourth O site, O is bonded to two Ba, one Bi, and one O atom to form OBa2BiO trigonal pyramids that share a cornercorner with one OBa3Bi tetrahedra, corners with two equivalent OBa3BiO trigonal bipyramids, an edgeedge with one OBa3Bi tetrahedra, and an edgeedge with one OBa3BiO trigonal bipyramid. In the fifth O site, O is bonded to three Ba, one Bi, and one O atom to form distorted OBa3BiO trigonal bipyramids that share corners with three equivalent OBa3Bi tetrahedra, corners with two equivalent OBa3BiO trigonal bipyramids, corners with two equivalent OBa2BiO trigonal pyramids, an edgeedge with one OBa3Bi tetrahedra, and an edgeedge with one OBa2BiO trigonal pyramid. In the sixth O site, O is bonded in a 3-coordinate geometry to two Ba and one Bi atom.

36 MATERIALS SCIENCE↗
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Materials Data on Bi7(S3Cl)3 by Materials Project

Bi7(S3Cl)3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seven inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five S2- and one Cl1- atom to form distorted BiS5Cl octahedra that share corners with two equivalent BiS6 octahedra, corners with two equivalent BiS2Cl2 trigonal pyramids, and edges with two equivalent BiS5Cl octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Bi–S bond distances ranging from 2.55–2.92 Å. The Bi–Cl bond length is 3.29 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to five S2- and one Cl1- atom. There are a spread of Bi–S bond distances ranging from 2.68–3.26 Å. The Bi–Cl bond length is 2.64 Å. In the third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to five S2- and one Cl1- atom. There are a spread of Bi–S bond distances ranging from 2.56–2.97 Å. The Bi–Cl bond length is 3.54 Å. In the fourth Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two equivalent Cl1- atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Bi–S bond lengths. Both Bi–Cl bond lengths are 2.90 Å. In the fifth Bi3+ site, Bi3+ is bonded to six S2- atoms to form BiS6 octahedra that share corners with two equivalent BiS5Cl octahedra and edges with two equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Bi–S bond distances ranging from 2.74–2.96 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to six S2- and two equivalent Cl1- atoms. There are a spread of Bi–S bond distances ranging from 2.68–3.38 Å. Both Bi–Cl bond lengths are 3.51 Å. In the seventh Bi3+ site, Bi3+ is bonded to two S2- and two equivalent Cl1- atoms to form BiS2Cl2 trigonal pyramids that share corners with two equivalent BiS5Cl octahedra and corners with two equivalent BiS2Cl2 trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. There are one shorter (2.57 Å) and one longer (2.63 Å) Bi–S bond lengths. Both Bi–Cl bond lengths are 2.80 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded to four Bi3+ atoms to form SBi4 trigonal pyramids that share a cornercorner with one SBi5 square pyramid and corners with two equivalent SBi4 trigonal pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to two Bi3+ atoms. In the fifth S2- site, S2- is bonded to five Bi3+ atoms to form distorted SBi5 square pyramids that share a cornercorner with one SBi4 trigonal pyramid and edges with two equivalent SBi5 square pyramids. In the sixth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the seventh S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the ninth S2- site, S2- is bonded in a 5-coordinate geometry to five Bi3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to three Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Bi3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on V(Bi5O8)5 by Materials Project

Bi25VO40 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.76 Å) V–O bond length. There are thirteen inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.79 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.81 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.83 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.78 Å. In the fifth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with four BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.12–2.61 Å. In the sixth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.56 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.75 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.79 Å. In the ninth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids, a cornercorner with one BiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.53 Å. In the tenth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids, a cornercorner with one BiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.54 Å. In the eleventh Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.56 Å. In the twelfth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six BiO5 square pyramids and a cornercorner with one BiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.11–2.60 Å. In the thirteenth Bi3+ site, Bi3+ is bonded to four O2- atoms to form corner-sharing BiO4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.29 Å) Bi–O bond lengths. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Bi3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the seventeenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the eighteenth O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra. In the twentieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba8Bi4H2O by Materials Project

Ba8Bi4H2O crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a linear geometry to four equivalent Bi and two equivalent O atoms. All Ba–Bi bond lengths are 3.73 Å. Both Ba–O bond lengths are 2.66 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to five Bi and one O atom. There are one shorter (3.69 Å) and four longer (3.81 Å) Ba–Bi bond lengths. The Ba–O bond length is 3.26 Å. In the third Ba site, Ba is bonded in a 1-coordinate geometry to five Bi and one H atom. There are one shorter (3.58 Å) and four longer (3.83 Å) Ba–Bi bond lengths. The Ba–H bond length is 2.67 Å. In the fourth Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent H atoms. All Ba–Bi bond lengths are 3.80 Å. All Ba–H bond lengths are 2.78 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. H is bonded to five Ba atoms to form a mixture of distorted edge and corner-sharing HBa5 trigonal bipyramids. O is bonded to six Ba atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
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Materials Data on Bi2Rh3S2 by Materials Project

Rh3Bi2S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.93 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four Bi and two equivalent S atoms. There are a spread of Rh–Bi bond distances ranging from 2.86–3.02 Å. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six Rh and two equivalent S atoms. Both Bi–S bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six Rh atoms. S is bonded in a 3-coordinate geometry to three Rh and one Bi atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBi2 by Materials Project

YbBi2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.35–3.67 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Yb and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.21 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Tb5Bi3 by Materials Project

Tb5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.11–3.56 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.15–3.54 Å. In the third Tb site, Tb is bonded to five Bi atoms to form distorted edge-sharing TbBi5 square pyramids. There are a spread of Tb–Bi bond distances ranging from 3.19–3.27 Å. In the fourth Tb site, Tb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.08–3.39 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La8(BiPb)3 by Materials Project

La8(PbBi)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to three Pb and three Bi atoms. There are a spread of La–Pb bond distances ranging from 3.30–3.55 Å. There are a spread of La–Bi bond distances ranging from 3.31–3.54 Å. In the second La site, La is bonded in a 6-coordinate geometry to three Pb and three Bi atoms. There are a spread of La–Pb bond distances ranging from 3.29–3.55 Å. There are a spread of La–Bi bond distances ranging from 3.30–3.56 Å. In the third La site, La is bonded in a 6-coordinate geometry to three Pb and three Bi atoms. There are a spread of La–Pb bond distances ranging from 3.31–3.55 Å. There are a spread of La–Bi bond distances ranging from 3.30–3.54 Å. In the fourth La site, La is bonded in a 6-coordinate geometry to three Pb and three Bi atoms. There are a spread of La–Pb bond distances ranging from 3.29–3.56 Å. There are a spread of La–Bi bond distances ranging from 3.32–3.56 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to eight La atoms to form distorted PbLa8 hexagonal bipyramids that share corners with four equivalent PbLa8 hexagonal bipyramids, corners with four equivalent BiLa8 hexagonal bipyramids, edges with four equivalent BiLa8 hexagonal bipyramids, faces with four equivalent PbLa8 hexagonal bipyramids, and faces with four equivalent BiLa8 hexagonal bipyramids. In the second Pb site, Pb is bonded to eight La atoms to form distorted PbLa8 hexagonal bipyramids that share corners with two equivalent PbLa8 hexagonal bipyramids, corners with six BiLa8 hexagonal bipyramids, edges with four equivalent PbLa8 hexagonal bipyramids, faces with two equivalent PbLa8 hexagonal bipyramids, and faces with six BiLa8 hexagonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to eight La atoms to form distorted BiLa8 hexagonal bipyramids that share corners with two equivalent BiLa8 hexagonal bipyramids, corners with six PbLa8 hexagonal bipyramids, edges with four equivalent BiLa8 hexagonal bipyramids, faces with two equivalent BiLa8 hexagonal bipyramids, and faces with six PbLa8 hexagonal bipyramids. In the second Bi site, Bi is bonded to eight La atoms to form distorted BiLa8 hexagonal bipyramids that share corners with four equivalent PbLa8 hexagonal bipyramids, corners with four equivalent BiLa8 hexagonal bipyramids, edges with four equivalent PbLa8 hexagonal bipyramids, faces with four equivalent PbLa8 hexagonal bipyramids, and faces with four equivalent BiLa8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ti12Bi13O48 by Materials Project

Nd3Ti12Bi13O48 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.92 Å. In the second Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.64 Å. In the third Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.59 Å. There are twelve inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.78–2.38 Å. In the second Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.40 Å. In the third Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.78–2.41 Å. In the fourth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.79–2.38 Å. In the fifth Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Ti–O bond distances ranging from 1.86–2.10 Å. In the sixth Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–30°. There are a spread of Ti–O bond distances ranging from 1.87–2.08 Å. In the seventh Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–29°. There are a spread of Ti–O bond distances ranging from 1.86–2.08 Å. In the eighth Ti4+ site, Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–30°. There are a spread of Ti–O bond distances ranging from 1.85–2.10 Å. In the ninth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.38 Å. In the tenth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.37 Å. In the eleventh Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.38 Å. In the twelfth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.38 Å. There are thirteen inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.67 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.66 Å. In the third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.68 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.67 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.74 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.73 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.74 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.74 Å. In the ninth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.91 Å. In the tenth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.90 Å. In the eleventh Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.92 Å. In the twelfth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.83 Å. In the thirteenth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.33–2.47 Å. There are forty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two Nd3+ and two Ti4+ atoms to form distorted edge-sharing ONd2Ti2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two Nd3+ and two Ti4+ atoms to form distorted edge-sharing ONd2Ti2 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted tetrahedral geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Ti4+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and two Ti4+ atoms. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Bi3+ atom. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and two Ti4+ atoms. In the seventeenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the nineteenth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the twentieth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the twenty-first O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Bi3+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Bi3+ atom. In the twenty-third O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Bi3+ atom. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Bi3+ atom. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the twenty-sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and two Ti4+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+, two Ti4+, and one Bi3+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and two Ti4+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-first O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and two Bi3+ atoms. In the thirty-seventh O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the thirty-eighth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the thirty-ninth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fortieth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the forty-first O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the forty-second O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the forty-third O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the forty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Ti4+ and two Bi3+ atoms. In the forty-fifth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ti4+ and two Bi3+ atoms. In the forty-sixth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ti4+ and two Bi3+ atoms. In the forty-seventh O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ti4+ and two Bi3+ atoms. In the forty-eighth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Ti4+ and two Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi10Te2I4O17 by Materials Project

Bi10Te2O17I4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.43–2.76 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. There are two shorter (2.24 Å) and two longer (2.33 Å) Bi–O bond lengths. All Bi–I bond lengths are 3.56 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.29 Å. All Bi–I bond lengths are 3.64 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.28 Å. All Bi–I bond lengths are 3.65 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. There are two shorter (2.24 Å) and two longer (2.33 Å) Bi–O bond lengths. All Bi–I bond lengths are 3.55 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. There are two shorter (2.21 Å) and two longer (2.42 Å) Bi–O bond lengths. All Bi–I bond lengths are 3.65 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- and four equivalent I1- atoms. There are two shorter (2.21 Å) and two longer (2.43 Å) Bi–O bond lengths. All Bi–I bond lengths are 3.64 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. All Te–O bond lengths are 2.04 Å. In the second Te4+ site, Te4+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are one shorter (1.89 Å) and four longer (2.15 Å) Te–O bond lengths. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three Bi3+ and one Te4+ atom to form distorted OBi3Te tetrahedra that share corners with eight OBi3Te tetrahedra and edges with three OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one Te4+ atom. In the third O2- site, O2- is bonded to three Bi3+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OBi3Te tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the sixth O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with eight OBi3Te tetrahedra and edges with four OBi4 tetrahedra. In the seventh O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with eight OBi3Te tetrahedra and edges with four OBi4 tetrahedra. In the eighth O2- site, O2- is bonded to four Bi3+ atoms to form OBi4 tetrahedra that share corners with six OBi3Te tetrahedra and edges with five OBi4 tetrahedra. In the ninth O2- site, O2- is bonded in a single-bond geometry to four equivalent Bi3+ and one Te4+ atom. I1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.

36 MATERIALS SCIENCE↗