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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyClO by Materials Project

DyOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Dy–O bond lengths are 2.25 Å. There are four shorter (3.09 Å) and one longer (3.10 Å) Dy–Cl bond lengths. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(ClO4)3 by Materials Project

Dy(O4Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.41 Å) and three longer (2.44 Å) Dy–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(ClO4)3 by Materials Project

Dy(O4Cl)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.36–2.48 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Dy and one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Dy and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyClO2 by Materials Project

DyO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.71 Å. There are two shorter (2.78 Å) and one longer (2.95 Å) Dy–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Dy atoms. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Dy and two equivalent O atoms. Both O–O bond lengths are 1.89 Å. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyClO by Materials Project

DyOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DyOCl sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing DyCl2O4 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.25 Å) and two longer (2.31 Å) Dy–O bond lengths. Both Dy–Cl bond lengths are 2.69 Å. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(ClO2)3 by Materials Project

Dy(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Dy(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Dy is bonded in an octahedral geometry to six O atoms. There are a spread of Dy–O bond distances ranging from 2.26–2.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.56 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.70 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Dy and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a linear geometry to two O atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyClO by Materials Project

DyOCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three DyOCl sheets oriented in the (0, 0, 1) direction. Dy3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Cl1- atoms. All Dy–O bond lengths are 2.28 Å. All Dy–Cl bond lengths are 2.81 Å. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗