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Materials Data on Dy5Ir3 by Materials Project

Dy5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five Ir atoms to form distorted DyIr5 trigonal bipyramids that share corners with four equivalent DyIr4 tetrahedra, corners with eleven equivalent DyIr5 trigonal bipyramids, an edgeedge with one DyIr4 tetrahedra, edges with six equivalent DyIr5 trigonal bipyramids, and faces with two equivalent DyIr5 trigonal bipyramids. There are a spread of Dy–Ir bond distances ranging from 2.89–3.14 Å. In the second Dy site, Dy is bonded to four equivalent Ir atoms to form DyIr4 tetrahedra that share corners with sixteen equivalent DyIr5 trigonal bipyramids, edges with two equivalent DyIr4 tetrahedra, and edges with four equivalent DyIr5 trigonal bipyramids. All Dy–Ir bond lengths are 2.85 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Dy atoms.

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Materials Data on DyN3O10 by Materials Project

DyN3O10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one DyN3O10 ribbon oriented in the (0, 1, 0) direction. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.37–2.49 Å. There are three 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 1.22–1.30 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 1.21–1.33 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 1.21–1.33 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Dy atom. In the second O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the third O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Dy and one N atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a 1-coordinate geometry to two equivalent Dy and one N atom. In the ninth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom.

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Materials Data on Dy2Y2O5 by Materials Project

Dy2Y2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Dy–O bond lengths are 2.39 Å. In the second Dy site, Dy is bonded in a square co-planar geometry to four equivalent O atoms. All Dy–O bond lengths are 2.76 Å. Y is bonded in a 5-coordinate geometry to five O atoms. There are four shorter (2.17 Å) and one longer (2.60 Å) Y–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Dy and two equivalent Y atoms to form ODy2Y2 tetrahedra that share corners with two equivalent ODy4Y2 octahedra, corners with ten equivalent ODy2Y2 tetrahedra, and edges with five equivalent ODy2Y2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. In the second O site, O is bonded to four equivalent Dy and two equivalent Y atoms to form ODy4Y2 octahedra that share corners with four equivalent ODy4Y2 octahedra, corners with eight equivalent ODy2Y2 tetrahedra, and edges with four equivalent ODy4Y2 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on DyGa3 by Materials Project

DyGa3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.01–3.12 Å. In the second Dy site, Dy is bonded to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.00–3.11 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.86–3.12 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.70 Å) and two longer (2.82 Å) Ga–Ga bond lengths.

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Materials Data on Dy2Fe17C2 by Materials Project

Dy2Fe17C2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a distorted bent 120 degrees geometry to nine Fe and two equivalent C atoms. There are a spread of Dy–Fe bond distances ranging from 3.05–3.35 Å. Both Dy–C bond lengths are 2.51 Å. There are seven 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 2.39–2.74 Å. In the second Fe site, Fe is bonded to three equivalent Dy and nine Fe atoms to form distorted FeDy3Fe9 cuboctahedra that share corners with eleven FeDy3Fe9 cuboctahedra, corners with four equivalent CDy2Fe4 octahedra, edges with four FeDy3Fe9 cuboctahedra, faces with eight FeDy3Fe9 cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Fe–Fe bond distances ranging from 2.47–2.63 Å. In the third Fe site, Fe is bonded in a single-bond geometry to five Fe and one C atom. There are two shorter (2.47 Å) and one longer (2.56 Å) Fe–Fe bond lengths. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form distorted FeDy2Fe10 cuboctahedra that share corners with eight FeDy3Fe9 cuboctahedra, corners with four equivalent CDy2Fe4 octahedra, edges with three FeDy2Fe10 cuboctahedra, edges with two equivalent CDy2Fe4 octahedra, and faces with nine FeDy3Fe9 cuboctahedra. The corner-sharing octahedra tilt angles range from 22–29°. There are two shorter (2.43 Å) and two longer (2.47 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a single-bond geometry to six Fe and one C atom. Both Fe–Fe bond lengths are 2.43 Å. The Fe–C bond length is 1.85 Å. In the sixth Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form distorted FeDy2Fe10 cuboctahedra that share corners with fourteen FeDy3Fe9 cuboctahedra, edges with two equivalent FeDy3Fe9 cuboctahedra, faces with ten FeDy3Fe9 cuboctahedra, and faces with four equivalent CDy2Fe4 octahedra. In the seventh Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form FeDy2Fe10 cuboctahedra that share corners with eight FeDy3Fe9 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with four FeDy2Fe10 cuboctahedra, faces with eight FeDy3Fe9 cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to two equivalent Dy and four Fe atoms to form CDy2Fe4 octahedra that share corners with ten FeDy3Fe9 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with two equivalent FeDy2Fe10 cuboctahedra, and faces with six FeDy2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 62°.

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Materials Data on Dy2Mn12P7 by Materials Project

Dy2Mn12P7 crystallizes in the hexagonal P-6 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 P atoms. All Dy–P bond lengths are 2.85 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent P atoms. All Dy–P bond lengths are 2.85 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.33–2.38 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.30 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.35 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.44–2.57 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Mn atoms. In the third P site, P is bonded in a 3-coordinate geometry to nine Mn atoms.

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Materials Data on Dy2Fe17C by Materials Project

Dy2Fe17C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy is bonded in a distorted single-bond geometry to fourteen Fe and one C atom. There are a spread of Dy–Fe bond distances ranging from 3.02–3.31 Å. The Dy–C bond length is 2.50 Å. There are seven 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 2.40–2.75 Å. In the second Fe site, Fe is bonded in a single-bond geometry to seven Fe and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.47–2.55 Å. The Fe–C bond length is 1.91 Å. In the third Fe site, Fe is bonded to three equivalent Dy and nine Fe atoms to form FeDy3Fe9 cuboctahedra that share corners with twelve FeDy3Fe9 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with six FeDy3Fe9 cuboctahedra, faces with seven FeDy3Fe9 cuboctahedra, and a faceface with one CDy2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 65–70°. There are a spread of Fe–Fe bond distances ranging from 2.46–2.63 Å. In the fourth Fe site, Fe is bonded in a single-bond geometry to eight Fe and one C atom. There are two shorter (2.42 Å) and two longer (2.46 Å) Fe–Fe bond lengths. The Fe–C bond length is 1.84 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.49 Å. In the sixth Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form FeDy2Fe10 cuboctahedra that share corners with eight FeDy3Fe9 cuboctahedra, corners with two equivalent CDy2Fe4 octahedra, edges with four equivalent FeDy3Fe9 cuboctahedra, and faces with eight FeDy3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe is bonded to two equivalent Dy and ten Fe atoms to form distorted FeDy2Fe10 cuboctahedra that share corners with twelve FeDy3Fe9 cuboctahedra, edges with four equivalent FeDy3Fe9 cuboctahedra, faces with eight FeDy3Fe9 cuboctahedra, and faces with two equivalent CDy2Fe4 octahedra. C is bonded to two equivalent Dy and four Fe atoms to form CDy2Fe4 octahedra that share corners with ten FeDy2Fe10 cuboctahedra and faces with eight FeDy2Fe10 cuboctahedra.

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Materials Data on Dy2ReC2 by Materials Project

Dy2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five C atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. There are one shorter (2.50 Å) and four longer (2.57 Å) Dy–C bond lengths. In the second Dy site, Dy is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Dy–C bond distances ranging from 2.53–2.67 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°. In the second C site, C is bonded to five Dy and one Re atom to form a mixture of corner and edge-sharing CDy5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.

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Materials Data on DyAl3 by Materials Project

Al3Dy crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight equivalent DyAl12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.09 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent AlDy4Al8 cuboctahedra, corners with nine equivalent DyAl12 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with three equivalent AlDy4Al8 cuboctahedra, and faces with seven DyAl12 cuboctahedra. There are a spread of Dy–Al bond distances ranging from 3.02–3.10 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, corners with six equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with four equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.09 Å.

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Materials Data on Dy2(Al3Pd)3 by Materials Project

Dy2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six Pd and eleven Al atoms. There are two shorter (3.45 Å) and four longer (3.49 Å) Dy–Pd bond lengths. There are a spread of Dy–Al bond distances ranging from 3.06–3.20 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.57–2.67 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.57–2.66 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Pd atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy, three Pd, and one Al atom. The Al–Al bond length is 2.87 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy, three Pd, and five Al atoms. There are one shorter (2.80 Å) and two longer (2.86 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Pd, and two equivalent Al atoms.

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Materials Data on Dy3Pd2 by Materials Project

Dy3Pd2 crystallizes in the tetragonal P4/mbm 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 Pd atoms. There are two shorter (2.98 Å) and four longer (3.06 Å) Dy–Pd bond lengths. In the second Dy site, Dy is bonded in a square co-planar geometry to four equivalent Pd atoms. All Dy–Pd bond lengths are 3.05 Å. Pd is bonded in a 8-coordinate geometry to eight Dy atoms.

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Materials Data on Dy2Si5Rh3 by Materials Project

Dy2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Dy–Rh bond distances ranging from 3.09–3.39 Å. There are a spread of Dy–Si bond distances ranging from 2.97–3.20 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Dy and six Si atoms. There are four shorter (2.45 Å) and two longer (2.58 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Dy and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.34–2.43 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Rh atoms.

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Materials Data on Dy5Si3 by Materials Project

Dy5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to five equivalent Si atoms. There are a spread of Dy–Si bond distances ranging from 2.91–3.43 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Dy–Si bond lengths are 3.05 Å. Si is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on DyMg2 by Materials Project

Mg2Dy is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Dy bond lengths are 3.55 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.51 Å) and four longer (3.53 Å) Mg–Dy bond lengths. Dy is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Dy atoms. There are one shorter (3.64 Å) and three longer (3.71 Å) Dy–Dy bond lengths.

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Materials Data on Dy5Sn3 by Materials Project

Dy5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.09–3.57 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Dy–Sn bond lengths are 3.21 Å. Sn is bonded in a 9-coordinate geometry to nine Dy atoms.

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Materials Data on DyB2Ru3 by Materials Project

DyRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Dy, twelve equivalent Ru, and six equivalent B atoms. Both Dy–Dy bond lengths are 3.04 Å. All Dy–Ru bond lengths are 3.15 Å. All Dy–B bond lengths are 3.18 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Dy and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ru atoms.

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Materials Data on Dy10Ti6O27 by Materials Project

Dy10Ti6O27 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.25–2.36 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.13–2.42 Å. In the third Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share a cornercorner with one TiO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Dy–O bond distances ranging from 2.19–2.40 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.64 Å. In the fifth Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 hexagonal pyramids that share corners with two equivalent TiO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, and edges with four TiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Dy–O bond distances ranging from 2.21–2.46 Å. In the sixth Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.14–2.38 Å. In the seventh Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.66 Å. In the eighth Dy3+ site, Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share a cornercorner with one DyO7 hexagonal pyramid, corners with two equivalent TiO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Dy–O bond distances ranging from 2.21–2.59 Å. There are four 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 1.88–2.47 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with three TiO6 octahedra and edges with two equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–61°. There are a spread of Ti–O bond distances ranging from 1.85–2.31 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with five TiO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, and edges with two equivalent DyO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Ti–O bond distances ranging from 1.91–2.16 Å. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share a cornercorner with one DyO7 hexagonal pyramid, corners with five TiO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, an edgeedge with one DyO7 hexagonal pyramid, and an edgeedge with one DyO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 27–61°. There are a spread of Ti–O bond distances ranging from 1.85–2.26 Å. There are nineteen inequivalent O2- sites. In the first O2- site, O2- is bonded to three Dy3+ and one Ti4+ atom to form distorted ODy3Ti tetrahedra that share corners with nine ODy3Ti tetrahedra and an edgeedge with one ODy4 tetrahedra. In the second O2- site, O2- is bonded to two Dy3+ and two equivalent Ti4+ atoms to form distorted corner-sharing ODy2Ti2 tetrahedra. In the third O2- site, O2- is bonded to three Dy3+ and one Ti4+ atom to form distorted ODy3Ti tetrahedra that share corners with nine ODy3Ti tetrahedra and an edgeedge with one ODy4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and two Ti4+ atoms. In the fifth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Ti4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+ and two equivalent Ti4+ atoms. In the eighth O2- site, O2- is bonded to three Dy3+ and one Ti4+ atom to form corner-sharing ODy3Ti tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Ti4+ atom. In the tenth O2- site, O2- is bonded to four Dy3+ atoms to form distorted ODy4 tetrahedra that share corners with eight ODy4 tetrahedra and an edgeedge with one ODy3Ti tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Dy3+ and two Ti4+ atoms. In the twelfth O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy3Ti tetrahedra and an edgeedge with one ODy4 tetrahedra. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Ti4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Dy3+ and two Ti4+ atoms. In the fifteenth O2- site, O2- is bonded to three Dy3+ and one Ti4+ atom to form ODy3Ti tetrahedra that share corners with five ODy3Ti tetrahedra and edges with three ODy4 tetrahedra. In the sixteenth O2- site, O2- is bonded in a trigonal planar geometry to one Dy3+ and two equivalent Ti4+ atoms. In the seventeenth O2- site, O2- is bonded to two Dy3+ and two Ti4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Ti2 tetrahedra. In the eighteenth O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. In the nineteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two equivalent Ti4+ atoms.

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Materials Data on Dy2In16Pt7 by Materials Project

Dy2Pt7In16 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Pt and ten In atoms. All Dy–Pt bond lengths are 3.18 Å. There are a spread of Dy–In bond distances ranging from 3.29–3.41 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are four shorter (2.76 Å) and four longer (2.81 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.79 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.78–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Dy and four Pt atoms. In the second In site, In is bonded to one Dy and four Pt atoms to form a mixture of distorted edge and corner-sharing InDyPt4 tetrahedra. In the third In site, In is bonded in a distorted trigonal non-coplanar geometry to three Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to one Dy and three Pt atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent Pt atoms.

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