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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgF2 by Materials Project

MgF2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.01 Å) and four longer (2.02 Å) Mg–F bond lengths. F1- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgF2 by Materials Project

MgF2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Mg–F bond lengths are 2.05 Å. F1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgF2 by Materials Project

MgF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Mg–F bond distances ranging from 2.02–2.23 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to four equivalent Mg2+ atoms to form a mixture of corner and edge-sharing FMg4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgF3 by Materials Project

MgF3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve F atoms to form a mixture of edge, corner, and face-sharing MgF12 cuboctahedra. There are four shorter (2.22 Å) and eight longer (2.52 Å) Mg–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a square co-planar geometry to four equivalent Mg atoms. In the second F site, F is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗