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DOE OSTI2020

Materials Data on Dy5BiPt2 by Materials Project

Dy5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing DyBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Dy–Pt bond lengths are 3.02 Å. Both Dy–Bi bond lengths are 3.47 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.94 Å) and two longer (2.98 Å) Dy–Pt bond lengths. Both Dy–Bi bond lengths are 3.34 Å. Pt is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a 10-coordinate geometry to ten Dy atoms.

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Materials Data on Dy5BiPd2 by Materials Project

Dy5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted DyBi2Pd4 octahedra that share corners with six equivalent DyBi2Pd4 octahedra, corners with sixteen equivalent DyBi2Pd3 trigonal bipyramids, and faces with eight equivalent DyBi2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Pd bond lengths are 3.04 Å. Both Dy–Bi bond lengths are 3.42 Å. In the second Dy site, Dy is bonded to three equivalent Pd and two equivalent Bi atoms to form distorted DyBi2Pd3 trigonal bipyramids that share corners with four equivalent DyBi2Pd4 octahedra, corners with twelve equivalent DyBi2Pd3 trigonal bipyramids, edges with seven equivalent DyBi2Pd3 trigonal bipyramids, faces with two equivalent DyBi2Pd4 octahedra, and a faceface with one DyBi2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are two shorter (2.98 Å) and one longer (3.00 Å) Dy–Pd bond lengths. Both Dy–Bi bond lengths are 3.33 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.

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Materials Data on Dy5Ni2Bi by Materials Project

Dy5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ni and two equivalent Bi atoms to form distorted DyNi4Bi2 octahedra that share corners with six equivalent DyNi4Bi2 octahedra, corners with sixteen equivalent DyNi3Bi2 trigonal bipyramids, and faces with eight equivalent DyNi3Bi2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Dy–Ni bond lengths are 3.00 Å. Both Dy–Bi bond lengths are 3.40 Å. In the second Dy site, Dy is bonded to three equivalent Ni and two equivalent Bi atoms to form distorted DyNi3Bi2 trigonal bipyramids that share corners with four equivalent DyNi4Bi2 octahedra, corners with twelve equivalent DyNi3Bi2 trigonal bipyramids, edges with seven equivalent DyNi3Bi2 trigonal bipyramids, faces with two equivalent DyNi4Bi2 octahedra, and a faceface with one DyNi3Bi2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–61°. There are two shorter (2.86 Å) and one longer (2.93 Å) Dy–Ni bond lengths. Both Dy–Bi bond lengths are 3.30 Å. Ni is bonded in a 9-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.

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Materials Data on Dy6MnBi2 by Materials Project

Dy6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to two equivalent Mn and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing DyMn2Bi2 tetrahedra. Both Dy–Mn bond lengths are 2.89 Å. Both Dy–Bi bond lengths are 3.27 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to one Mn and four equivalent Bi atoms. The Dy–Mn bond length is 3.28 Å. All Dy–Bi bond lengths are 3.34 Å. Mn is bonded in a 9-coordinate geometry to nine Dy atoms. Bi is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on Dy5(SiSb)2 by Materials Project

Dy5(SiSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to three equivalent Si and three equivalent Sb atoms to form distorted DySi3Sb3 pentagonal pyramids that share corners with three equivalent DySi4Sb2 octahedra, corners with ten equivalent DySi3Sb3 pentagonal pyramids, edges with seven equivalent DySi3Sb3 pentagonal pyramids, faces with two equivalent DySi4Sb2 octahedra, and faces with two equivalent DySi3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–41°. There are one shorter (2.95 Å) and two longer (3.03 Å) Dy–Si bond lengths. There are a spread of Dy–Sb bond distances ranging from 3.14–3.17 Å. In the second Dy site, Dy is bonded to four equivalent Si and two equivalent Sb atoms to form DySi4Sb2 octahedra that share corners with four equivalent DySi4Sb2 octahedra, corners with twelve equivalent DySi3Sb3 pentagonal pyramids, and faces with eight equivalent DySi3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are two shorter (3.05 Å) and two longer (3.07 Å) Dy–Si bond lengths. Both Dy–Sb bond lengths are 3.12 Å. Si is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded to seven Dy atoms to form a mixture of distorted corner and edge-sharing SbDy7 pentagonal bipyramids.

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Materials Data on Dy3(CoGe2)2 by Materials Project

Dy3(CoGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four equivalent Co and eight Ge atoms. There are a spread of Dy–Co bond distances ranging from 2.88–3.22 Å. There are a spread of Dy–Ge bond distances ranging from 2.95–3.26 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.98–3.33 Å. Co is bonded in a 4-coordinate geometry to four equivalent Dy and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.35–2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Dy, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.99 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Dy, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å.

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Materials Data on Dy2Fe17 by Materials Project

Dy2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.99–3.28 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.93–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Dy and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form FeDy2Fe10 cuboctahedra that share corners with fourteen FeDy2Fe10 cuboctahedra, edges with six equivalent FeDy3Fe9 cuboctahedra, and faces with ten FeDy2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Dy and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.60 Å. In the fourth Fe site, Fe is bonded to three Dy and nine Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeDy3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å.

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Materials Data on DyAl3Ni2 by Materials Project

DyNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Dy–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.30 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.83 Å. Ni is bonded in a 9-coordinate geometry to three Dy and six Al atoms. There are four shorter (2.48 Å) and two longer (2.50 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy and four equivalent Ni atoms.

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Materials Data on Dy2Ni17 by Materials Project

Dy2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.89–3.21 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.83–3.11 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Dy and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.70 Å. In the second Ni site, Ni is bonded to two equivalent Dy and ten Ni atoms to form NiDy2Ni10 cuboctahedra that share corners with fourteen NiDy2Ni10 cuboctahedra, edges with six equivalent NiDy3Ni9 cuboctahedra, and faces with ten NiDy2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Dy and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.51 Å. In the fourth Ni site, Ni is bonded to three Dy and nine Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiDy3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.38 Å.

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Materials Data on Dy6FeBi2 by Materials Project

Dy6FeBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Bi atoms. Both Dy–Fe bond lengths are 2.83 Å. Both Dy–Bi bond lengths are 3.31 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to one Fe and four equivalent Bi atoms. The Dy–Fe bond length is 3.28 Å. All Dy–Bi bond lengths are 3.31 Å. Fe is bonded in a 9-coordinate geometry to nine Dy atoms. Bi is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on Dy5SbPd2 by Materials Project

Dy5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd4 octahedra that share corners with six equivalent DySb2Pd4 octahedra, corners with sixteen equivalent DySb2Pd3 trigonal bipyramids, and faces with eight equivalent DySb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Pd bond lengths are 3.02 Å. Both Dy–Sb bond lengths are 3.41 Å. In the second Dy site, Dy is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted DySb2Pd3 trigonal bipyramids that share corners with four equivalent DySb2Pd4 octahedra, corners with twelve equivalent DySb2Pd3 trigonal bipyramids, edges with seven equivalent DySb2Pd3 trigonal bipyramids, faces with two equivalent DySb2Pd4 octahedra, and a faceface with one DySb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.99 Å) and two longer (3.00 Å) Dy–Pd bond lengths. Both Dy–Sb bond lengths are 3.28 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.

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Materials Data on Dy5B3O13 by Materials Project

Dy5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.34 Å) and three longer (2.64 Å) Dy–O bond lengths. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.20–2.52 Å. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Dy atoms. In the second O site, O is bonded in a 4-coordinate geometry to three Dy and one B atom. In the third O site, O is bonded in a 1-coordinate geometry to three Dy and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Dy and one B atom.

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Materials Data on NaDy3 by Materials Project

NaDy3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Dy atoms. There are eight shorter (3.45 Å) and six longer (3.98 Å) Na–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Dy atoms. All Dy–Dy bond lengths are 3.45 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Dy atoms.

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Materials Data on Ca8(DySe4)3 by Materials Project

Ca8(DySe4)3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded to six Se atoms to form CaSe6 octahedra that share corners with five equivalent CaSe6 octahedra, edges with two equivalent DySe6 octahedra, and edges with ten CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ca–Se bond distances ranging from 2.90–2.98 Å. In the second Ca site, Ca is bonded to six Se atoms to form CaSe6 octahedra that share a cornercorner with one DySe6 octahedra, corners with five CaSe6 octahedra, and edges with twelve CaSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ca–Se bond distances ranging from 2.94–3.06 Å. In the third Ca site, Ca is bonded to six Se atoms to form CaSe6 octahedra that share a cornercorner with one DySe6 octahedra, corners with five CaSe6 octahedra, edges with four CaSe6 octahedra, and edges with six DySe6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Ca–Se bond distances ranging from 2.91–3.05 Å. In the fourth Ca site, Ca is bonded to six Se atoms to form CaSe6 octahedra that share a cornercorner with one DySe6 octahedra, corners with five equivalent CaSe6 octahedra, edges with two equivalent DySe6 octahedra, and edges with ten CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Ca–Se bond distances ranging from 2.94–3.02 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to six Se atoms to form DySe6 octahedra that share corners with two CaSe6 octahedra, corners with four equivalent DySe6 octahedra, edges with two equivalent DySe6 octahedra, and edges with eight CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Dy–Se bond distances ranging from 2.77–3.00 Å. In the second Dy site, Dy is bonded to six Se atoms to form DySe6 octahedra that share corners with two equivalent CaSe6 octahedra, corners with four equivalent DySe6 octahedra, edges with four equivalent CaSe6 octahedra, and edges with four equivalent DySe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.91 Å) and four longer (2.94 Å) Dy–Se bond lengths. There are seven inequivalent Se sites. In the first Se site, Se is bonded to three Ca and three Dy atoms to form SeCa3Dy3 octahedra that share corners with six SeCa3Dy3 octahedra, edges with four SeCa6 octahedra, and edges with four equivalent SeCa3Dy2 square pyramids. The corner-sharing octahedra tilt angles range from 0–3°. In the second Se site, Se is bonded to six Ca atoms to form SeCa6 octahedra that share corners with five SeCa6 octahedra, edges with ten SeCa3Dy3 octahedra, and edges with two equivalent SeCa3Dy2 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. In the third Se site, Se is bonded to three Ca and two equivalent Dy atoms to form SeCa3Dy2 square pyramids that share a cornercorner with one SeCa6 octahedra, corners with four equivalent SeCa3Dy2 square pyramids, and edges with eight SeCa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Se site, Se is bonded to six Ca atoms to form SeCa6 octahedra that share corners with six SeCa3Dy3 octahedra and edges with twelve SeCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth Se site, Se is bonded to five Ca and one Dy atom to form SeCa5Dy octahedra that share corners with five SeCa6 octahedra, edges with ten SeCa3Dy3 octahedra, and edges with two equivalent SeCa3Dy2 square pyramids. The corner-sharing octahedra tilt angles range from 0–4°. In the sixth Se site, Se is bonded to six Ca atoms to form SeCa6 octahedra that share corners with four equivalent SeCa6 octahedra, corners with two equivalent SeCa3Dy2 square pyramids, and edges with twelve SeCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the seventh Se site, Se is bonded in a square co-planar geometry to one Ca and three Dy atoms.

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Materials Data on Dy3Lu by Materials Project

LuDy3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve Dy atoms to form LuDy12 cuboctahedra that share corners with four equivalent LuDy12 cuboctahedra, corners with eight equivalent DyDy8Lu4 cuboctahedra, edges with eight equivalent LuDy12 cuboctahedra, edges with sixteen equivalent DyDy8Lu4 cuboctahedra, faces with four equivalent LuDy12 cuboctahedra, and faces with fourteen DyDy8Lu4 cuboctahedra. All Lu–Dy bond lengths are 3.52 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Lu and eight Dy atoms to form DyDy8Lu4 cuboctahedra that share corners with twelve equivalent DyDy8Lu4 cuboctahedra, edges with eight equivalent LuDy12 cuboctahedra, edges with sixteen DyDy8Lu4 cuboctahedra, faces with four equivalent LuDy12 cuboctahedra, and faces with fourteen DyDy8Lu4 cuboctahedra. All Dy–Dy bond lengths are 3.52 Å. In the second Dy site, Dy is bonded to four equivalent Lu and eight equivalent Dy atoms to form DyDy8Lu4 cuboctahedra that share corners with four equivalent DyDy8Lu4 cuboctahedra, corners with eight equivalent LuDy12 cuboctahedra, edges with twenty-four DyDy8Lu4 cuboctahedra, faces with six equivalent LuDy12 cuboctahedra, and faces with twelve DyDy8Lu4 cuboctahedra.

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Materials Data on Dy3Zn11 by Materials Project

Dy3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Zn atoms to form distorted DyZn12 cuboctahedra that share edges with two equivalent ZnDy4Zn8 cuboctahedra and faces with two equivalent DyZn12 cuboctahedra. There are four shorter (3.05 Å) and eight longer (3.28 Å) Dy–Zn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Dy–Zn bond distances ranging from 3.08–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Dy and eight Zn atoms to form distorted ZnDy4Zn8 cuboctahedra that share edges with two equivalent DyZn12 cuboctahedra and faces with two equivalent ZnDy4Zn8 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Dy and eight Zn atoms. There are two shorter (2.59 Å) and four longer (2.87 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Dy and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.49–2.71 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to four Dy and six Zn atoms.

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Materials Data on CsDyN4O15 by Materials Project

CsDyN4O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 3-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.66 Å. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.54 Å. There are four inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs, one Dy, and one N atom. In the second O site, O is bonded in a 2-coordinate geometry to one Cs, one Dy, and one N atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Cs, one Dy, and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Cs and one N atom. In the seventh O site, O is bonded in a water-like geometry to one Dy and one N atom. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Cs and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Cs, one Dy, and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the twelfth O site, O is bonded in a 2-coordinate geometry to one Cs, one Dy, and one N atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.33 Å) O–O bond length. In the fourteenth O site, O is bonded in a water-like geometry to one Dy and one O atom. In the fifteenth O site, O is bonded in a single-bond geometry to one O atom.

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Materials Data on Dy3Ge5 by Materials Project

Dy3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.53 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.95–3.49 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Dy and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.58–3.06 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms.

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