cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1713933
title: Materials Data on SrSi(OF3)2 by Materials Project

description: SrSi(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to three O and five F atoms. There are a spread of Sr–O bond distances ranging from 2.80–2.95 Å. There are a spread of Sr–F bond distances ranging from 2.41–2.51 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.70–1.73 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Sr atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Sr atoms. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Sr and one Si atom. In the third F site, F is bonded in a distorted linear geometry to one Sr and one Si atom. In the fourth F site, F is bonded in a distorted linear geometry to one Sr and one Si atom. In the fifth F site, F is bonded in a distorted bent 150 degrees geometry to one Sr and one Si atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to one Sr and one Si atom.
DOI: 10.17188/1713934
title: Materials Data on NbAlCr4 by Materials Project

description: NbCr4Al is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to three equivalent Nb, twelve Cr, and one Al atom. All Nb–Nb bond lengths are 2.99 Å. There are a spread of Nb–Cr bond distances ranging from 2.84–2.88 Å. The Nb–Al bond length is 2.91 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Cr and six equivalent Al atoms to form CrAl6Cr6 cuboctahedra that share corners with twelve equivalent CrNb3Al3Cr6 cuboctahedra, edges with six equivalent CrAl6Cr6 cuboctahedra, and faces with twenty CrNb6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.40 Å. All Cr–Al bond lengths are 2.87 Å. In the second Cr site, Cr is bonded to six equivalent Nb and six equivalent Cr atoms to form CrNb6Cr6 cuboctahedra that share corners with twelve equivalent CrNb3Al3Cr6 cuboctahedra, edges with six equivalent CrNb6Cr6 cuboctahedra, and faces with twenty CrAl6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.47 Å. In the third Cr site, Cr is bonded to three equivalent Nb, six Cr, and three equivalent Al atoms to form CrNb3Al3Cr6 cuboctahedra that share corners with eighteen CrAl6Cr6 cuboctahedra, edges with six equivalent CrNb3Al3Cr6 cuboctahedra, and faces with eighteen CrAl6Cr6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.51 Å) Cr–Cr bond lengths. There are one shorter (2.77 Å) and two longer (2.83 Å) Cr–Al bond lengths. Al is bonded in a 9-coordinate geometry to one Nb, twelve Cr, and three equivalent Al atoms. All Al–Al bond lengths are 3.00 Å.
DOI: 10.17188/1713935
title: Materials Data on VPbO3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713936
title: Materials Data on Cr3NiSn8 by Materials Project

description: NiCr3Sn8 is Khatyrkite-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 10-coordinate geometry to two equivalent Cr and eight Sn atoms. Both Cr–Cr bond lengths are 2.74 Å. There are four shorter (2.86 Å) and four longer (2.88 Å) Cr–Sn bond lengths. In the second Cr site, Cr is bonded in a distorted q6 geometry to two equivalent Ni and eight Sn atoms. Both Cr–Ni bond lengths are 2.74 Å. There are four shorter (2.83 Å) and four longer (2.87 Å) Cr–Sn bond lengths. In the third Cr site, Cr is bonded in a 10-coordinate geometry to two equivalent Cr and eight Sn atoms. There are four shorter (2.86 Å) and four longer (2.88 Å) Cr–Sn bond lengths. Ni is bonded in a 10-coordinate geometry to two equivalent Cr and eight Sn atoms. There are four shorter (2.83 Å) and four longer (2.87 Å) Ni–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Cr and one Sn atom. The Sn–Sn bond length is 3.07 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Cr, two equivalent Ni, and three Sn atoms. Both Sn–Sn bond lengths are 3.16 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to three Cr and one Ni atom.
DOI: 10.17188/1713937
title: Materials Data on TeINO10 by Materials Project

description: (NTeO7I)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three hydrogen peroxide molecules and two NTeO7I clusters. In each NTeO7I cluster, N is bonded in a water-like geometry to two O atoms. There is one shorter (1.14 Å) and one longer (1.72 Å) N–O bond length. Te is bonded in a tetrahedral geometry to four O atoms. There are a spread of Te–O bond distances ranging from 1.80–1.95 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Te atom. In the second O site, O is bonded in a single-bond geometry to one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Te and one I atom. The O–I bond length is 2.05 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one N and one Te atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the seventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. I is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1713938
title: Materials Data on CoOF by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713940
title: Materials Data on Rb2CeN5O19 by Materials Project

description: Rb2N5O17CeO2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of four cerium(2+), dihydroxy- molecules and two Rb2N5O17 sheets oriented in the (0, 0, 1) direction. In each Rb2N5O17 sheet, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.26 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.44 Å. There are five inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the fifth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one Rb and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a single-bond geometry to one Rb and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one N atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one N atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the sixteenth O site, O is bonded in a water-like geometry to two Rb atoms. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Rb atom.
DOI: 10.17188/1713941
title: Materials Data on K2RbMoBr6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713942
title: Materials Data on EuAl3Ag2 by Materials Project

description: EuAg2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded in a distorted hexagonal planar geometry to six equivalent Ag and twelve equivalent Al atoms. All Eu–Ag bond lengths are 3.23 Å. All Eu–Al bond lengths are 3.56 Å. Ag is bonded in a 12-coordinate geometry to three equivalent Eu and six equivalent Al atoms. All Ag–Al bond lengths are 2.74 Å. Al is bonded to four equivalent Eu and four equivalent Ag atoms to form a mixture of distorted edge, face, and corner-sharing AlEu4Ag4 cuboctahedra.
DOI: 10.17188/1713943
title: Materials Data on CaB12(H3O)8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713944
title: Materials Data on LiMnF3 by Materials Project

description: LiMnF3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.82–2.06 Å. Mn2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are one shorter (1.95 Å) and four longer (2.15 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one Mn2+ atom.
DOI: 10.17188/1713946
title: Materials Data on LiSnB by Materials Project

description: LiBSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent B3- atoms to form LiB4 tetrahedra that share corners with four equivalent SnB4 tetrahedra, corners with twelve equivalent LiB4 tetrahedra, and edges with six equivalent SnB4 tetrahedra. All Li–B bond lengths are 2.41 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Sn2+ atoms. All B–Sn bond lengths are 2.41 Å. Sn2+ is bonded to four equivalent B3- atoms to form SnB4 tetrahedra that share corners with four equivalent LiB4 tetrahedra, corners with twelve equivalent SnB4 tetrahedra, and edges with six equivalent LiB4 tetrahedra.
DOI: 10.17188/1713948
title: Materials Data on Os(NCl3)2 by Materials Project

description: OsCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four hexachloroosmium molecules.
DOI: 10.17188/1713949
title: Materials Data on Na(FeO2)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713950
title: Materials Data on AlNi4As3 by Materials Project

description: Ni4As3Al crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one aluminum molecule and one Ni4As3 sheet oriented in the (0, 0, 1) direction. In the Ni4As3 sheet, there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Ni–As bond lengths are 2.40 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to six As3- atoms to form a mixture of face, edge, and corner-sharing NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.45 Å) and three longer (2.47 Å) Ni–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six equivalent Ni+1.50+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Ni+1.50+ atoms.
DOI: 10.17188/1713951
title: Materials Data on Na2NbO4F5 by Materials Project

description: Na2NbO4F5 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Na is bonded to three O and three F atoms to form NaO3F3 octahedra that share corners with three equivalent NaO3F3 octahedra and corners with four equivalent NbO2F5 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 53–71°. There are a spread of Na–O bond distances ranging from 2.39–2.49 Å. There are a spread of Na–F bond distances ranging from 2.29–2.42 Å. Nb is bonded to two equivalent O and five F atoms to form distorted NbO2F5 pentagonal bipyramids that share corners with eight equivalent NaO3F3 octahedra. The corner-sharing octahedra tilt angles range from 30–54°. Both Nb–O bond lengths are 2.08 Å. There are a spread of Nb–F bond distances ranging from 1.94–2.01 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Nb, and one O atom. The O–O bond length is 1.39 Å. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Na and one Nb atom. In the second F site, F is bonded in a trigonal planar geometry to two equivalent Na and one Nb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one Nb atom.
DOI: 10.17188/1713952
title: Materials Data on YGaPd2 by Materials Project

description: YPd2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YPd2Ga ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Pd atoms. Both Y–Pd bond lengths are 2.42 Å. Pd is bonded in a linear geometry to one Y and one Ga atom. The Pd–Ga bond length is 2.42 Å. Ga is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1713953
title: Materials Data on NaCd2In by Materials Project

description: NaCd2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaCd2In ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Cd atoms. Both Na–Cd bond lengths are 3.02 Å. Cd is bonded in a linear geometry to one Na and one In atom. The Cd–In bond length is 2.96 Å. In is bonded in a linear geometry to two equivalent Cd atoms.
DOI: 10.17188/1713954
title: Materials Data on NbH12N3O8 by Materials Project

description: NbO8(NH4)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonium molecules and two NbO8 clusters. In each NbO8 cluster, Nb5+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.03 Å) and four longer (2.10 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and one O2- atom. The O–O bond length is 1.51 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and one O2- atom.
DOI: 10.17188/1713955
title: Materials Data on Ho2InNi2 by Materials Project

description: Ho2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.80 Å) and two longer (2.92 Å) Ho–Ni bond lengths. All Ho–In bond lengths are 3.32 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Ho, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.44 Å. The Ni–In bond length is 2.82 Å. In is bonded in a distorted q6 geometry to eight equivalent Ho and two equivalent Ni atoms.
DOI: 10.17188/1713956
title: Materials Data on U2B6Mo by Materials Project

description: U2MoB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Mo–B bond distances ranging from 2.38–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent U3+, two equivalent Mo6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.77–1.82 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.76 Å) and one longer (1.79 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.68 Å) and one longer (1.82 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six U3+ and two B2- atoms.
DOI: 10.17188/1713957
title: Materials Data on CeCdO3 by Materials Project

description: CeCdO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six O2- atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Ce–O bond distances ranging from 2.24–2.30 Å. In the second Ce4+ site, Ce4+ is bonded to six O2- atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are a spread of Ce–O bond distances ranging from 2.24–2.30 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.46–2.55 Å. In the second Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.30 Å) Cd–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ce4+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Ce4+ and two Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCe2Cd2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCe2Cd2 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ce4+ and one Cd2+ atom.
DOI: 10.17188/1713958
title: Materials Data on DyPPd by Materials Project

description: DyPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Dy–Pd bond distances ranging from 3.03–3.24 Å. There are a spread of Dy–P bond distances ranging from 2.85–2.91 Å. Pd is bonded to six equivalent Dy, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdDy6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.02 Å. There are three shorter (2.56 Å) and one longer (2.73 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Pd atoms.
DOI: 10.17188/1713959
title: Materials Data on K3NiPCO7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713960
title: Materials Data on Er4(GeO5)3 by Materials Project

description: Er4(GeO5)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.27–2.58 Å. In the second Er site, Er is bonded to seven O atoms to form ErO7 pentagonal bipyramids that share a cornercorner with one ErO7 pentagonal bipyramid, corners with two equivalent GeO4 tetrahedra, and edges with two equivalent ErO7 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.23–2.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with two equivalent GeO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. All Ge–O bond lengths are 1.92 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra and corners with two equivalent ErO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Er and one Ge atom. In the second O site, O is bonded in a trigonal planar geometry to two Er and one Ge atom. In the third O site, O is bonded to two equivalent Er and two equivalent Ge atoms to form distorted corner-sharing OEr2Ge2 tetrahedra. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Er atoms. In the fifth O site, O is bonded in a water-like geometry to two equivalent Er atoms. In the sixth O site, O is bonded in a linear geometry to two equivalent Er atoms. In the seventh O site, O is bonded in a trigonal planar geometry to one Er and two Ge atoms.