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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er(ClO4)3 by Materials Project

Er(ClO4)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.34 Å) and three longer (2.55 Å) Er–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 Er and one Cl atom. The O–Cl bond length is 1.48 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErClO by Materials Project

ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(ClO2)3 by Materials Project

Er(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Er(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a distorted octahedral geometry to six O atoms. All Er–O bond lengths are 2.25 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErClO by Materials Project

ErOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Er–O bond lengths are 2.23 Å. There are four shorter (3.07 Å) and one longer (3.08 Å) Er–Cl bond lengths. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗