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DOE OSTI2020

Materials Data on Sm2TlZn by Materials Project

Sm2ZnTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Tl atoms. All Sm–Zn bond lengths are 3.27 Å. All Sm–Tl bond lengths are 3.27 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on SmHo3 by Materials Project

Ho3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with twelve equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. All Ho–Sm bond lengths are 3.55 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with four equivalent HoSm4Ho8 cuboctahedra, corners with eight equivalent SmHo12 cuboctahedra, edges with twenty-four HoSm4Ho8 cuboctahedra, faces with six equivalent SmHo12 cuboctahedra, and faces with twelve HoSm4Ho8 cuboctahedra. All Ho–Sm bond lengths are 3.55 Å. Sm is bonded to twelve Ho atoms to form SmHo12 cuboctahedra that share corners with four equivalent SmHo12 cuboctahedra, corners with eight equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen equivalent HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra.

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DOE OSTI2020

Materials Data on Sm2CdIr by Materials Project

Sm2IrCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cd atoms. All Sm–Ir bond lengths are 3.15 Å. All Sm–Cd bond lengths are 3.15 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSi2Rh3 by Materials Project

SmRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Sm–Rh bond lengths are 3.34 Å. All Sm–Si bond lengths are 3.22 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent Si atoms. All Rh–Si bond lengths are 2.45 Å. Si is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInAg2 by Materials Project

SmInAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. All Sm–Ag bond lengths are 3.07 Å. All Sm–In bond lengths are 3.55 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent In atoms. All Ag–In bond lengths are 3.07 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sm and eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ge5 by Materials Project

Sm3Ge5 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.03–3.51 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.60 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Sm and two Ge atoms.

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Materials Data on Sm2(PPt2)3 by Materials Project

Sm2(Pt2P)3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Sm–Pt bond distances ranging from 3.12–3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, eight Pt2-, and two equivalent P+2.33+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.01 Å. Both Pt–P bond lengths are 2.41 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, six equivalent Pt2-, and two equivalent P+2.33+ atoms. Both Pt–P bond lengths are 2.37 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Sm+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.35 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

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Materials Data on SmAgPb by Materials Project

SmAgPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Pb atoms. There are three shorter (3.17 Å) and three longer (3.66 Å) Sm–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.53 Å) Sm–Pb bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pb atoms. There are three shorter (2.89 Å) and one longer (3.15 Å) Ag–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
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Materials Data on SmBiRh by Materials Project

SmRhBi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six equivalent Rh and six equivalent Bi atoms. There are a spread of Sm–Rh bond distances ranging from 3.05–3.45 Å. There are a spread of Sm–Bi bond distances ranging from 3.27–3.41 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.75–2.92 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Rh atoms.

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Materials Data on SmSnPd by Materials Project

SmPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Sm–Pd bond distances ranging from 3.14–3.42 Å. There are a spread of Sm–Sn bond distances ranging from 3.25–3.36 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.72–2.92 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pd atoms.

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Materials Data on Sm3(AlNi3)2 by Materials Project

Sm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.83 Å) and four longer (3.03 Å) Sm–Ni bond lengths. All Sm–Al bond lengths are 3.21 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.60 Å. Both Ni–Al bond lengths are 2.49 Å. Al is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing AlSm6Ni6 cuboctahedra.

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Materials Data on Sm3Si2Ni by Materials Project

Sm3NiSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to one Ni2+ and five Si4- atoms. The Sm–Ni bond length is 2.86 Å. There are four shorter (3.00 Å) and one longer (3.22 Å) Sm–Si bond lengths. In the second Sm2+ site, Sm2+ is bonded to five Si4- atoms to form distorted edge-sharing SmSi5 square pyramids. There are a spread of Sm–Si bond distances ranging from 2.96–3.04 Å. In the third Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to two equivalent Ni2+ and five Si4- atoms. Both Sm–Ni bond lengths are 2.82 Å. There are a spread of Sm–Si bond distances ranging from 2.95–3.65 Å. Ni2+ is bonded in a 3-coordinate geometry to three Sm2+ and three Si4- atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Sm2+ and one Ni2+ atom. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Sm2+ and two equivalent Ni2+ atoms.

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Materials Data on Sm2Pd2Pb by Materials Project

Sm2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.94 Å) and four longer (3.07 Å) Sm–Pd bond lengths. All Sm–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Sm, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.80 Å. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Sm and four equivalent Pd atoms to form a mixture of face and corner-sharing PbSm8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2ZnIn by Materials Project

Sm2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Sm–Zn bond lengths are 3.26 Å. All Sm–In bond lengths are 3.26 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2AlCd by Materials Project

Sm2CdAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Al atoms. All Sm–Cd bond lengths are 3.26 Å. All Sm–Al bond lengths are 3.26 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmMg2Sc by Materials Project

Mg2SmSc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Sc atoms. All Mg–Sm bond lengths are 3.23 Å. All Mg–Sc bond lengths are 3.23 Å. Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Sc atoms. All Sm–Sc bond lengths are 3.72 Å. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Sm atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Sm3Sn13Rh4 by Materials Project

Sm3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Sm–Rh bond lengths are 3.46 Å. There are eight shorter (3.43 Å) and four longer (3.45 Å) Sm–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Sn–Sn bond lengths are 3.37 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Rh, and one Sn atom.

36 MATERIALS SCIENCE↗
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Materials Data on Na3SmBr6 by Materials Project

Na3SmBr6 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are fifteen inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three SmBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of Na–Br bond distances ranging from 2.97–3.15 Å. In the second Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with three NaBr6 octahedra, corners with six SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–62°. There are a spread of Na–Br bond distances ranging from 2.98–3.08 Å. In the third Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three SmBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Na–Br bond distances ranging from 2.97–3.15 Å. In the fourth Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with three NaBr6 octahedra, corners with six SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–62°. There are a spread of Na–Br bond distances ranging from 2.97–3.07 Å. In the fifth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three SmBr6 octahedra, corners with six NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Na–Br bond distances ranging from 3.00–3.14 Å. In the sixth Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three SmBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Na–Br bond distances ranging from 2.97–3.15 Å. In the seventh Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with three NaBr6 octahedra, corners with six SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–62°. There are a spread of Na–Br bond distances ranging from 2.97–3.07 Å. In the eighth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three SmBr6 octahedra, corners with six NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Na–Br bond distances ranging from 3.00–3.14 Å. In the ninth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three SmBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Na–Br bond distances ranging from 2.96–3.25 Å. In the tenth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.89–3.33 Å. In the eleventh Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with two equivalent NaBr6 octahedra, corners with six SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are a spread of Na–Br bond distances ranging from 2.96–3.11 Å. In the twelfth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three SmBr6 octahedra, corners with six NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Na–Br bond distances ranging from 3.00–3.15 Å. In the thirteenth Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share a cornercorner with one NaBr6 octahedra, corners with six SmBr6 octahedra, and edges with three NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 38–63°. There are a spread of Na–Br bond distances ranging from 2.92–3.08 Å. In the fourteenth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three equivalent NaBr6 octahedra, corners with three SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Na–Br bond distances ranging from 2.95–3.13 Å. In the fifteenth Na1+ site, Na1+ is bonded to six Br1- atoms to form distorted NaBr6 octahedra that share corners with three equivalent NaBr6 octahedra, corners with three SmBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of Na–Br bond distances ranging from 2.93–3.15 Å. There are five inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six Br1- atoms to form SmBr6 octahedra that share corners with nine NaBr6 octahedra, edges with two equivalent NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Sm–Br bond distances ranging from 2.82–2.92 Å. In the second Sm3+ site, Sm3+ is bonded to six Br1- atoms to form SmBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Sm–Br bond distances ranging from 2.86–2.90 Å. In the third Sm3+ site, Sm3+ is bonded to six Br1- atoms to form SmBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are a spread of Sm–Br bond distances ranging from 2.86–2.90 Å. In the fourth Sm3+ site, Sm3+ is bonded to six Br1- atoms to form SmBr6 octahedra that share corners with nine NaBr6 octahedra, edges with three NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. There are a spread of Sm–Br bond distances ranging from 2.86–2.90 Å. In the fifth Sm3+ site, Sm3+ is bonded to six Br1- atoms to form SmBr6 octahedra that share corners with nine NaBr6 octahedra, an edgeedge with one NaBr6 octahedra, and a faceface with one NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 38–55°. There are a spread of Sm–Br bond distances ranging from 2.85–2.93 Å. There are thirty inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Sm3+ atom. In the second Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the third Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the fourth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the fifth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the sixth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the seventh Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form distorted corner-sharing BrNa3Sm trigonal pyramids. In the eighth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Sm3+ atom. In the ninth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the tenth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the eleventh Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the twelfth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the thirteenth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the fourteenth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Sm3+ atom. In the fifteenth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the sixteenth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the seventeenth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form distorted BrNa3Sm trigonal pyramids that share a cornercorner with one BrNa4Sm trigonal bipyramid, corners with four BrNa3Sm trigonal pyramids, and edges with two BrNa3Sm trigonal pyramids. In the eighteenth Br1- site, Br1- is bonded to four Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa4Sm trigonal bipyramids. In the nineteenth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form a mixture of distorted edge and corner-sharing BrNa3Sm trigonal pyramids. In the twentieth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-first Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-second Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form distorted BrNa3Sm trigonal pyramids that share corners with three BrNa3Sm trigonal pyramids, edges with two equivalent BrNa4Sm trigonal bipyramids, and an edgeedge with one BrNa3Sm trigonal pyramid. In the twenty-third Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-fourth Br1- site, Br1- is bonded in a distorted trigonal planar geometry to two Na1+ and one Sm3+ atom. In the twenty-fifth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form distorted BrNa3Sm trigonal pyramids that share corners with two equivalent BrNa4Sm trigonal bipyramids, corners with three BrNa3Sm trigonal pyramids, and edges with two BrNa3Sm trigonal pyramids. In the twenty-sixth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-seventh Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-eighth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to three Na1+ and one Sm3+ atom. In the twenty-ninth Br1- site, Br1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Sm3+ atom. In the thirtieth Br1- site, Br1- is bonded to three Na1+ and one Sm3+ atom to form BrNa3Sm trigonal pyramids that share a cornercorner with one BrNa4Sm trigonal bipyramid, an edgeedge with one BrNa4Sm trigonal bipyramid, and an edgeedge with one BrNa3Sm trigonal pyramid.

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