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10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg5(HO3)2 by Materials Project

Mg5(HO3)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg5(HO3)2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.06 Å) and three longer (2.15 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.14 Å. In the third Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.14 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg4H2O5 by Materials Project

Mg4H2O5 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg4H2O5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.06 Å) and three longer (2.15 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the third O2- site, O2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3(HO2)2 by Materials Project

Mg3(HO2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two Mg3(HO2)2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.15 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.07 Å) and three longer (2.16 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. All O–Mg bond lengths are 2.07 Å. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. The O–H bond length is 0.97 Å. In the fourth O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2H2O3 by Materials Project

Mg(OH)2MgO crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.08 Å) and three longer (2.17 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3H4O5 by Materials Project

Mg(OH)2MgOMg(OH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction and one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. In the Mg(OH)2 sheet, Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the Mg(OH)2MgO sheet, Mg2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.09 Å) and three longer (2.18 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(HO)2 by Materials Project

Mg(OH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.11 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3(HO3)2 by Materials Project

Mg3(HO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.41 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) Mg–O bond length. H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.98 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Mg and one H atom. In the second O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. The O–O bond length is 1.57 Å. In the third O site, O is bonded in a 5-coordinate geometry to three Mg, one H, and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(HO)2 by Materials Project

Mg(OH)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.10–2.13 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(HO)2 by Materials Project

Mg(OH)2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a distorted q6 geometry to three equivalent H1+ and six O2- atoms. All Mg–H bond lengths are 1.97 Å. There are three shorter (2.11 Å) and three longer (2.23 Å) Mg–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to three equivalent Mg2+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Mg2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg5H8O9 by Materials Project

(Mg(OH)2)3Mg(OH)2MgO crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of three Mg(OH)2 sheets oriented in the (0, 0, 1) direction and one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. In each Mg(OH)2 sheet, Mg2+ is bonded to six equivalent O2- atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.10 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the Mg(OH)2MgO sheet, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.09 Å) and three longer (2.19 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom.

36 MATERIALS SCIENCE↗