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Materials Data on DyNi5 by Materials Project

DyNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.81 Å) and twelve longer (3.13 Å) Dy–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Dy and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiDy4Ni8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.43 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Dy2Sb5 by Materials Project

Dy2Sb5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Dy–Sb bond distances ranging from 3.10–3.36 Å. In the second Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Dy–Sb bond distances ranging from 3.13–3.32 Å. In the third Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to nine Sb+1.20- atoms. There are a spread of Dy–Sb bond distances ranging from 3.18–3.32 Å. In the fourth Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to ten Sb+1.20- atoms. There are a spread of Dy–Sb bond distances ranging from 3.19–3.90 Å. There are ten inequivalent Sb+1.20- sites. In the first Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to three Dy3+ and four Sb+1.20- atoms. There are two shorter (3.00 Å) and two longer (3.17 Å) Sb–Sb bond lengths. In the second Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to five Dy3+ and two equivalent Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.16 Å. In the third Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Dy3+ and three Sb+1.20- atoms. There are one shorter (2.88 Å) and two longer (3.03 Å) Sb–Sb bond lengths. In the fourth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Dy3+ and four Sb+1.20- atoms. There are two shorter (2.94 Å) and two longer (3.18 Å) Sb–Sb bond lengths. In the fifth Sb+1.20- site, Sb+1.20- is bonded in a 7-coordinate geometry to one Dy3+ and six Sb+1.20- atoms. There are one shorter (3.42 Å) and two longer (3.43 Å) Sb–Sb bond lengths. In the sixth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Dy3+ and four Sb+1.20- atoms. In the seventh Sb+1.20- site, Sb+1.20- is bonded in a 6-coordinate geometry to three Dy3+ and three Sb+1.20- atoms. In the eighth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Dy3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.00 Å. In the ninth Sb+1.20- site, Sb+1.20- is bonded to six Dy3+ atoms to form distorted face-sharing SbDy6 pentagonal pyramids. In the tenth Sb+1.20- site, Sb+1.20- is bonded in a 8-coordinate geometry to four Dy3+ and four Sb+1.20- atoms. Both Sb–Sb bond lengths are 3.06 Å.

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Materials Data on Dy4Si2S3O7 by Materials Project

Dy4Si2S3O7 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to three S2- and six O2- atoms. There are one shorter (2.86 Å) and two longer (2.88 Å) Dy–S bond lengths. There are a spread of Dy–O bond distances ranging from 2.38–2.53 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to three S2- and three O2- atoms. There are two shorter (2.77 Å) and one longer (2.80 Å) Dy–S bond lengths. There are one shorter (2.29 Å) and two longer (2.44 Å) Dy–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SDy4O2 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent Dy3+ and twelve O2- atoms. There are eight shorter (3.17 Å) and four longer (3.21 Å) S–O bond lengths. In the second S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent O2- atoms to form distorted SDy4O2 octahedra that share corners with four equivalent SiO4 tetrahedra and corners with four equivalent ODy3SiS tetrahedra. Both S–O bond lengths are 3.09 Å. In the third S2- site, S2- is bonded in a 12-coordinate geometry to four Dy3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ and one S2- atom. In the second O2- site, O2- is bonded to three Dy3+, one Si4+, and one S2- atom to form distorted ODy3SiS tetrahedra that share a cornercorner with one SDy4O2 octahedra, a cornercorner with one ODy3SiS tetrahedra, and edges with two equivalent ODy3SiS tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+, one Si4+, and one S2- atom.

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Materials Data on Dy2Si2O7 by Materials Project

Dy2Si2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.70 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with seven SiO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.21–2.41 Å. In the third Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.87 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 2.26–2.41 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–66°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent DyO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one DyO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Si–O bond distances ranging from 1.62–1.75 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one DyO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Dy3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two Dy3+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two Si4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Si4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Si4+ atom.

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DOE OSTI2020

Materials Data on Dy2SiSeO4 by Materials Project

Dy2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Dy–Se bond lengths are 3.04 Å. There are a spread of Dy–O bond distances ranging from 2.35–2.44 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.88 Å) and one longer (2.98 Å) Dy–Se bond lengths. There are a spread of Dy–O bond distances ranging from 2.39–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom.

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DOE OSTI2020

Materials Data on DySn2 by Materials Project

DySn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.16–3.46 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

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Materials Data on DyMgIn by Materials Project

MgDyIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.97 Å) Mg–In bond lengths. Dy is bonded in a 5-coordinate geometry to five In atoms. There are four shorter (3.23 Å) and one longer (3.27 Å) Dy–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Dy atoms. In the second In site, In is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyIn5Rh by Materials Project

DyRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve In atoms to form DyIn12 cuboctahedra that share corners with four equivalent DyIn12 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. There are eight shorter (3.26 Å) and four longer (3.29 Å) Dy–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.77 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Dy and eight equivalent In atoms to form distorted InDy4In8 cuboctahedra that share corners with four equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with four equivalent InDy4In8 cuboctahedra. All In–In bond lengths are 3.26 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Dy, two equivalent Rh, and two equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCo5 by Materials Project

DyCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.84 Å) and twelve longer (3.15 Å) Dy–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Dy and eight Co atoms to form a mixture of edge, corner, and face-sharing CoDy4Co8 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.46 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBr2 by Materials Project

DyBr2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven Br atoms. There are a spread of Dy–Br bond distances ranging from 2.90–3.22 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded to four equivalent Dy atoms to form a mixture of distorted corner and edge-sharing BrDy4 tetrahedra. In the second Br site, Br is bonded in a trigonal planar geometry to three equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3S2Cl5 by Materials Project

Dy3S2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to two equivalent S2- and five Cl1- atoms to form a mixture of distorted edge and corner-sharing DyS2Cl5 pentagonal bipyramids. Both Dy–S bond lengths are 2.72 Å. There are a spread of Dy–Cl bond distances ranging from 2.71–2.97 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to four equivalent S2- and four Cl1- atoms. All Dy–S bond lengths are 2.76 Å. There are a spread of Dy–Cl bond distances ranging from 2.71–3.25 Å. S2- is bonded to four Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy4 tetrahedra. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Dy3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Dy3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three Dy3+ atoms.

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Materials Data on DyCu5 by Materials Project

DyCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.91 Å) and four longer (3.04 Å) Dy–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Dy and twelve equivalent Cu atoms to form distorted CuDy4Cu12 tetrahedra that share corners with twelve equivalent CuDy3Cu9 cuboctahedra, faces with twenty-eight equivalent CuDy3Cu9 cuboctahedra, and faces with twelve equivalent CuDy4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.91 Å. In the second Cu site, Cu is bonded to three equivalent Dy and nine Cu atoms to form distorted CuDy3Cu9 cuboctahedra that share corners with eighteen equivalent CuDy3Cu9 cuboctahedra, corners with three equivalent CuDy4Cu12 tetrahedra, edges with six equivalent CuDy3Cu9 cuboctahedra, faces with eighteen equivalent CuDy3Cu9 cuboctahedra, and faces with seven equivalent CuDy4Cu12 tetrahedra. There are three shorter (2.46 Å) and three longer (2.51 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyRh5 by Materials Project

DyRh5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.03 Å) and twelve longer (3.40 Å) Dy–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Dy and eight Rh atoms to form a mixture of edge, corner, and face-sharing RhDy4Rh8 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.64 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Dy and nine Rh atoms. All Rh–Rh bond lengths are 3.03 Å.

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Materials Data on DyZn5 by Materials Project

DyZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.06 Å) and twelve longer (3.39 Å) Dy–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Dy and eight Zn atoms to form a mixture of face, edge, and corner-sharing ZnDy4Zn8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.65 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAl3 by Materials Project

Al3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with eight equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.11 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a square co-planar geometry to four equivalent Dy and eight equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to four equivalent Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with eight equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with ten equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiDySe2 by Materials Project

LiDySe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent DySe6 octahedra, corners with four equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent DySe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.85 Å) and two longer (2.93 Å) Li–Se bond lengths. Dy3+ is bonded to six Se2- atoms to form DySe6 octahedra that share corners with two equivalent LiSe6 octahedra, corners with four equivalent DySe6 octahedra, edges with four equivalent DySe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.85 Å) and two longer (2.86 Å) Dy–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.85 Å) and one longer (2.86 Å) Se–Dy bond lengths. In the second Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.85 Å) and one longer (2.86 Å) Se–Dy bond lengths. In the fourth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fifth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.85 Å) and one longer (2.93 Å) Se–Li bond lengths. There are two shorter (2.85 Å) and one longer (2.86 Å) Se–Dy bond lengths.

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Materials Data on CsDyI3 by Materials Project

CsDyI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.42 Å. Dy is bonded to six I atoms to form corner-sharing DyI6 octahedra. The corner-sharing octahedra tilt angles range from 12–18°. All Dy–I bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two equivalent Dy atoms. In the second I site, I is bonded to three equivalent Cs and two equivalent Dy atoms to form a mixture of distorted edge and corner-sharing ICs3Dy2 square pyramids.

36 MATERIALS SCIENCE↗
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Materials Data on Dy3Si2Cl5O6 by Materials Project

Dy3Si2O6Cl5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to two O2- and five Cl1- atoms to form distorted DyCl5O2 pentagonal bipyramids that share corners with four equivalent DyCl5O2 pentagonal bipyramids, corners with two equivalent SiO4 tetrahedra, an edgeedge with one DyCl2O6 hexagonal bipyramid, and edges with two equivalent DyCl5O2 pentagonal bipyramids. Both Dy–O bond lengths are 2.23 Å. There are a spread of Dy–Cl bond distances ranging from 2.66–2.88 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- and two equivalent Cl1- atoms to form distorted DyCl2O6 hexagonal bipyramids that share corners with four equivalent DyCl2O6 hexagonal bipyramids, edges with two equivalent DyCl5O2 pentagonal bipyramids, and edges with four equivalent SiO4 tetrahedra. There are four shorter (2.35 Å) and two longer (2.89 Å) Dy–O bond lengths. Both Dy–Cl bond lengths are 2.70 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent DyCl5O2 pentagonal bipyramids, corners with two equivalent SiO4 tetrahedra, and edges with two equivalent DyCl2O6 hexagonal bipyramids. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Dy3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Dy3+ and two equivalent Si4+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Dy3+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Dy3+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Dy3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Dy3+ atoms.

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