cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722285
title: Materials Data on Pr2ScNbO7 by Materials Project

description: Pr2ScNbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight O2- atoms to form distorted PrO8 hexagonal bipyramids that share edges with two equivalent PrO8 hexagonal bipyramids, edges with two equivalent ScO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Pr–O bond distances ranging from 2.29–2.69 Å. In the second Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.34–2.65 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with two equivalent ScO6 octahedra, corners with four equivalent NbO6 octahedra, and edges with two equivalent PrO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–55°. There are two shorter (2.12 Å) and four longer (2.15 Å) Sc–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent ScO6 octahedra, and edges with four equivalent PrO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–49°. There are four shorter (2.01 Å) and two longer (2.05 Å) Nb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Sc3+ atoms to form distorted OPr2Sc2 tetrahedra that share corners with six OPr2Sc2 tetrahedra and an edgeedge with one OPr4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Pr3+, one Sc3+, and one Nb5+ atom. In the fourth O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.
DOI: 10.17188/1722286
title: Materials Data on MnGaPd2 by Materials Project

description: Pd2MnGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2MnGa ribbons oriented in the (1, 0, 0) direction. Mn is bonded in a linear geometry to two equivalent Pd atoms. Both Mn–Pd bond lengths are 2.43 Å. Pd is bonded in a linear geometry to one Mn and one Ga atom. The Pd–Ga bond length is 2.37 Å. Ga is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1722287
title: Materials Data on K2Al2B2O7 by Materials Project

description: K2Al2B2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.34 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.76 Å) and two longer (2.78 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.37 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.40 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.77 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three K1+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the eleventh O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+ and two equivalent Al3+ atoms.
DOI: 10.17188/1722288
title: Materials Data on Li3FeO4 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: 10.17188/1722289
title: Materials Data on DySiNi by Materials Project

description: DyNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Si4- atoms to form distorted DySi6 octahedra that share corners with twelve equivalent DySi6 octahedra, corners with nine equivalent NiSi4 trigonal pyramids, edges with six equivalent DySi6 octahedra, edges with three equivalent NiSi4 trigonal pyramids, faces with two equivalent DySi6 octahedra, and faces with three equivalent NiSi4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of Dy–Si bond distances ranging from 2.92–3.04 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 trigonal pyramids that share corners with nine equivalent DySi6 octahedra, corners with eight equivalent NiSi4 trigonal pyramids, edges with three equivalent DySi6 octahedra, edges with two equivalent NiSi4 trigonal pyramids, and faces with three equivalent DySi6 octahedra. The corner-sharing octahedra tilt angles range from 3–68°. There are a spread of Ni–Si bond distances ranging from 2.42–2.55 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Dy3+ and four equivalent Ni1+ atoms.
DOI: 10.17188/1722291
title: Materials Data on Ge2Sb2Te5 by Materials Project

description: Ge2Sb2Te5 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ge2Sb2Te5 sheet oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with nine equivalent GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are three shorter (3.00 Å) and three longer (3.04 Å) Ge–Te bond lengths. Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (3.01 Å) and three longer (3.20 Å) Sb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form TeGe6 octahedra that share corners with six equivalent TeGe3Sb3 octahedra and edges with twelve TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent Sb1+ atoms to form a mixture of edge and corner-sharing TeGe3Sb3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Sb1+ atoms.
DOI: 10.17188/1722292
title: Materials Data on Li2MnVP2(O4F)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: 10.17188/1722293
title: Materials Data on Nb4O9 by Materials Project

description: Nb4O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to five O2- atoms to form distorted NbO5 square pyramids that share corners with four equivalent NbO6 octahedra and corners with three NbO5 square pyramids. The corner-sharing octahedra tilt angles range from 16–58°. There are a spread of Nb–O bond distances ranging from 1.86–2.26 Å. In the second Nb+4.50+ site, Nb+4.50+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with five NbO5 square pyramids and an edgeedge with one NbO6 octahedra. There are a spread of Nb–O bond distances ranging from 1.86–2.14 Å. In the third Nb+4.50+ site, Nb+4.50+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with three equivalent NbO6 octahedra and corners with four NbO5 square pyramids. The corner-sharing octahedra tilt angles range from 38–53°. There are a spread of Nb–O bond distances ranging from 1.93–2.14 Å. In the fourth Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. There are a spread of Nb–O bond distances ranging from 1.84–2.25 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb+4.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Nb+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb+4.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb+4.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Nb+4.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb+4.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted linear geometry to two Nb+4.50+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb+4.50+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb+4.50+ atoms.
DOI: 10.17188/1722294
title: Materials Data on LiGd(SO4)2 by Materials Project

description: LiGd(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.89 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.46 Å) Gd–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Gd3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Gd3+ and one S6+ atom.
DOI: 10.17188/1722295
title: Materials Data on Ce2Ge6Pd by Materials Project

description: Ce2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.06–3.25 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Ce–Pd bond lengths are 3.18 Å. There are a spread of Ce–Ge bond distances ranging from 3.16–3.40 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.50 Å) Pd–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Pd, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Ce, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Ce and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Ce and two equivalent Ge atoms.
DOI: 10.17188/1722297
title: Materials Data on TlCuCl3 by Materials Project

description: TlCuCl3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded in a distorted rectangular see-saw-like geometry to five Cl1- atoms. There are a spread of Cu–Cl bond distances ranging from 2.27–3.14 Å. Tl1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.10–3.93 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cu2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and three equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cu2+ and two equivalent Tl1+ atoms.
DOI: 10.17188/1722298
title: Materials Data on SrLaTiMnO6 by Materials Project

description: SrLaTiMnO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.56–3.05 Å. La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.81 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–20°. There is three shorter (1.95 Å) and three longer (1.99 Å) Ti–O bond length. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–20°. All Mn–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Ti4+, and one Mn3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Ti4+, and one Mn3+ atom.
DOI: 10.17188/1722299
title: Materials Data on Ni2As2O9 by Materials Project

description: Ni2As2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with five AsO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.87–2.11 Å. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with five AsO4 tetrahedra and edges with two equivalent NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–2.13 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with five NiO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of As–O bond distances ranging from 1.69–1.79 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with five NiO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of As–O bond distances ranging from 1.67–1.80 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms.
DOI: 10.17188/1722300
title: Materials Data on H12PbC2(I3N)2 by Materials Project

description: (CH3NH3)2PbI6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four methylammonium molecules and two PbI6 clusters. In each PbI6 cluster, Pb2+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Pb–I bond distances ranging from 2.97–3.10 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Pb2+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Pb2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Pb2+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Pb2+ atom. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Pb2+ atom. In the sixth I1- site, I1- is bonded in a distorted single-bond geometry to one Pb2+ atom.
DOI: 10.17188/1722301
title: Materials Data on Mn3CoO8 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: 10.17188/1722302
title: Materials Data on V6O5F19 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: 10.25584/1763770
title: Lawrence Berkley National Laboratory Building 59 (Raw)

description: The building management system in Building 59 is monitoring and archiving building-level electricity usage, HVAC and lighting system states (e.g., setpoint, temperature, flow rate, pressure), indoor environmental conditions (air temperature, relative humidity, CO2), on-site weather (air temperature, relative humidity), and especially occupant counts as well as other metrics such as Wi-Fi signal. This dataset could support multiple use cases, such as model predictive control and occupant related demand management. Raw data.
DOI: 10.17188/1722303
title: Materials Data on K2AgF4 by Materials Project

description: K2AgF4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.60–3.11 Å. Ag2+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two shorter (2.17 Å) and four longer (2.26 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ag2+ atom.
DOI: 10.17188/1722304
title: Materials Data on Li3V4(PO4)6 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: 10.17188/1722305
title: Materials Data on Er6Mg(GeS7)2 by Materials Project

description: MgEr6(GeS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Mg2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.55 Å) and three longer (2.59 Å) Mg–S bond lengths. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.71–3.03 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.69–3.01 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.21 Å) and three longer (2.24 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.24 Å) Ge–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Mg2+ and three Er3+ atoms. In the second S2- site, S2- is bonded to one Mg2+ and three Er3+ atoms to form distorted SEr3Mg trigonal pyramids that share corners with three SEr3Ge tetrahedra and edges with two equivalent SEr3Mg trigonal pyramids. In the third S2- site, S2- is bonded to three equivalent Er3+ and one Ge4+ atom to form corner-sharing SEr3Ge tetrahedra. In the fourth S2- site, S2- is bonded to three equivalent Er3+ and one Ge4+ atom to form corner-sharing SEr3Ge tetrahedra. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge4+ atom.