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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbMg by Materials Project

MgRb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to four Mg atoms. There are two shorter (4.03 Å) and two longer (4.25 Å) Rb–Mg bond lengths. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six Mg atoms. There are a spread of Rb–Mg bond distances ranging from 4.01–4.06 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to five Rb and three Mg atoms. There are one shorter (3.03 Å) and two longer (3.14 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Rb and four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbMg by Materials Project

MgRb crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two MgRb sheets oriented in the (0, 1, 0) direction. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Both Rb–Rb bond lengths are 4.78 Å. All Rb–Mg bond lengths are 3.81 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to two equivalent Rb and four Mg atoms. Both Rb–Rb bond lengths are 4.20 Å. There are two shorter (4.03 Å) and two longer (4.07 Å) Rb–Mg bond lengths. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six Rb atoms. There are two shorter (4.20 Å) and two longer (4.93 Å) Rb–Rb bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. There are two shorter (3.14 Å) and four longer (3.25 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Rb and four Mg atoms. Both Mg–Mg bond lengths are 3.07 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbMg(BrO2)3 by Materials Project

RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two RbMgO4Br3 sheets oriented in the (0, 1, 0) direction. In each RbMgO4Br3 sheet, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.80 Å) and two longer (3.24 Å) Rb–O bond lengths. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.02 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.88 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.81 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a linear geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.

36 MATERIALS SCIENCE↗