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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg14Ge5O24 by Materials Project

Mg14Ge5O24 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are six inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra and edges with six MgO6 octahedra. There are two shorter (2.02 Å) and four longer (2.14 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, edges with two equivalent GeO6 octahedra, and edges with eight MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–13°. All Mg–O bond lengths are 2.15 Å. In the third Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six MgO6 octahedra, corners with four GeO4 tetrahedra, an edgeedge with one GeO6 octahedra, and edges with four MgO6 octahedra. The corner-sharing octahedra tilt angles range from 13–59°. There are a spread of Mg–O bond distances ranging from 2.06–2.25 Å. In the fourth Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with five MgO6 octahedra, corners with three GeO4 tetrahedra, edges with five MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 2–56°. There are a spread of Mg–O bond distances ranging from 2.02–2.31 Å. In the fifth Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three GeO4 tetrahedra, an edgeedge with one GeO6 octahedra, and edges with seven MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are a spread of Mg–O bond distances ranging from 2.05–2.15 Å. In the sixth Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with five MgO6 octahedra, a cornercorner with one GeO4 tetrahedra, an edgeedge with one GeO6 octahedra, edges with six MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 2–59°. There are a spread of Mg–O bond distances ranging from 2.09–2.17 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six MgO6 octahedra and edges with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share edges with twelve MgO6 octahedra. There is four shorter (1.93 Å) and two longer (1.95 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with twelve MgO6 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There is one shorter (1.80 Å) and three longer (1.81 Å) Ge–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four Mg2+ and one Ge4+ atom to form OMg4Ge square pyramids that share a cornercorner with one OMg4Ge square pyramid, corners with two equivalent OMg3Ge trigonal pyramids, edges with two equivalent OMg6 octahedra, and edges with four equivalent OMg4Ge square pyramids. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded to three Mg2+ and one Ge4+ atom to form distorted OMg3Ge trigonal pyramids that share corners with four OMg4Ge square pyramids, a cornercorner with one OMg3Ge trigonal pyramid, and an edgeedge with one OMg6 octahedra. In the seventh O2- site, O2- is bonded to six Mg2+ atoms to form OMg6 octahedra that share a cornercorner with one OMg6 octahedra, edges with six OMg4Ge square pyramids, and an edgeedge with one OMg3Ge trigonal pyramid. The corner-sharing octahedral tilt angles are 0°. In the eighth O2- site, O2- is bonded to four Mg2+ and one Ge4+ atom to form OMg4Ge square pyramids that share corners with three equivalent OMg4Ge square pyramids, a cornercorner with one OMg3Ge trigonal pyramid, edges with two equivalent OMg6 octahedra, and edges with four OMg4Ge square pyramids. In the ninth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGeO3 by Materials Project

MgGeO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.40 Å. Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is two shorter (1.93 Å) and four longer (1.94 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ge4+ atoms to form distorted corner-sharing OMg2Ge2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2GeO4 by Materials Project

Mg2GeO4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with four MgO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Mg–O bond distances ranging from 2.09–2.17 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight MgO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Mg–O bond distances ranging from 2.08–2.27 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six MgO6 octahedra and edges with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 59–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Mg2+ and one Ge4+ atom to form distorted corner-sharing OMg3Ge tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGeO3 by Materials Project

MgGeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent GeO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are three shorter (2.04 Å) and three longer (2.21 Å) Mg–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There is three shorter (1.89 Å) and three longer (1.98 Å) Ge–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2GeO4 by Materials Project

Mg2GeO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with six equivalent MgO6 octahedra. All Mg–O bond lengths are 2.09 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ge–O bond lengths are 1.81 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Mg2+ and one Ge4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGeO3 by Materials Project

MgGeO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra and edges with five MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra, edges with three equivalent MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.30 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five MgO6 octahedra, corners with two equivalent GeO4 tetrahedra, and an edgeedge with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 32–63°. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven MgO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–65°. There are a spread of Ge–O bond distances ranging from 1.72–1.83 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to three Mg2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMg3Ge tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to three Mg2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMg3Ge trigonal pyramids. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to two Mg2+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGeO3 by Materials Project

MgGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.17 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.04–2.24 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven MgO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–61°. There are a spread of Ge–O bond distances ranging from 1.72–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Mg2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMg3Ge trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGeO3 by Materials Project

MgGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Mg–O bond lengths are 2.63 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ge4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ge2O5 by Materials Project

Mg2Ge2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mg–O bond lengths are 2.39 Å. In the second Mg2+ site, Mg2+ is bonded to twelve O2- atoms to form MgO12 cuboctahedra that share corners with four equivalent MgO12 cuboctahedra, faces with four equivalent MgO12 cuboctahedra, and faces with eight equivalent GeO5 square pyramids. There are eight shorter (2.61 Å) and four longer (2.74 Å) Mg–O bond lengths. Ge3+ is bonded to five O2- atoms to form GeO5 square pyramids that share corners with five equivalent GeO5 square pyramids and faces with four equivalent MgO12 cuboctahedra. There is one shorter (1.86 Å) and four longer (1.94 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Mg2+ and two equivalent Ge3+ atoms to form a mixture of distorted edge, corner, and face-sharing OMg4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–70°. In the second O2- site, O2- is bonded in a linear geometry to four equivalent Mg2+ and two equivalent Ge3+ atoms.

36 MATERIALS SCIENCE↗