cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1679070
title: Materials Data on Tm5In4 by Materials Project

description: Tm5In4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent In atoms. All Tm–In bond lengths are 3.33 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Tm–In bond distances ranging from 3.10–3.40 Å. There are two inequivalent In sites. In the first In site, In is bonded to six equivalent Tm atoms to form distorted face-sharing InTm6 octahedra. In the second In site, In is bonded in a 9-coordinate geometry to nine Tm atoms.
DOI: 10.17188/1679071
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are seven inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.72 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.72 Å) and one longer (2.73 Å) Ce–Se bond lengths. In the third Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.72 Å) Ce–Se bond lengths. In the fourth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Ce–Se bond lengths. In the fifth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.72 Å. In the sixth Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are three shorter (2.72 Å) and one longer (2.73 Å) Ce–Se bond lengths. In the seventh Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are a spread of Ce–Se bond distances ranging from 2.71–2.74 Å. There are ten inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the fifth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the sixth Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the seventh Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms. In the eighth Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the ninth Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the tenth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two Ce4+ atoms.
DOI: 10.17188/1679073
title: Materials Data on Cs7Fe4F15 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: 10.17188/1679074
title: Materials Data on Li9(FeO4)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: 10.17188/1679075
title: Materials Data on AlSi3O8 by Materials Project

description: AlSi3O8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and two AlSi3O7 ribbons oriented in the (1, 0, 0) direction. In each AlSi3O7 ribbon, Al is bonded in a 1-coordinate geometry to three O atoms. There are a spread of Al–O bond distances ranging from 1.40–2.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.10–1.93 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.31–1.89 Å. In the third Si site, Si is bonded in a distorted bent 120 degrees geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.07–2.43 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a single-bond geometry to one Si atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Al and one Si atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a single-bond geometry to one Si atom.
DOI: 10.17188/1679076
title: Materials Data on EuGaAg4 by Materials Project

description: EuAg4Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to fourteen Ag and four equivalent Ga atoms. There are a spread of Eu–Ag bond distances ranging from 3.25–3.63 Å. All Eu–Ga bond lengths are 3.74 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Eu, seven Ag, and two equivalent Ga atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.41 Å. Both Ag–Ga bond lengths are 2.76 Å. In the second Ag site, Ag is bonded to four equivalent Eu, six Ag, and two equivalent Ga atoms to form AgEu4Ga2Ag6 cuboctahedra that share corners with four equivalent GaEu4Ag8 cuboctahedra, corners with twelve equivalent AgEu4Ga2Ag6 cuboctahedra, edges with four equivalent GaEu4Ag8 cuboctahedra, edges with six equivalent AgEu4Ga2Ag6 cuboctahedra, faces with four equivalent GaEu4Ag8 cuboctahedra, and faces with six equivalent AgEu4Ga2Ag6 cuboctahedra. Both Ag–Ag bond lengths are 2.96 Å. Both Ag–Ga bond lengths are 2.82 Å. Ga is bonded to four equivalent Eu and eight Ag atoms to form distorted GaEu4Ag8 cuboctahedra that share corners with eight equivalent AgEu4Ga2Ag6 cuboctahedra, corners with eight equivalent GaEu4Ag8 cuboctahedra, edges with two equivalent GaEu4Ag8 cuboctahedra, edges with eight equivalent AgEu4Ga2Ag6 cuboctahedra, faces with two equivalent GaEu4Ag8 cuboctahedra, and faces with eight equivalent AgEu4Ga2Ag6 cuboctahedra.
DOI: 10.17188/1679077
title: Materials Data on V2O5 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: 10.17188/1679078
title: Materials Data on Li2VFe3O8 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: 10.17188/1679080
title: Materials Data on Er2PbS4 by Materials Project

description: Er2PbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are a spread of Er–S bond distances ranging from 2.70–2.77 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are a spread of Er–S bond distances ranging from 2.68–2.75 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.08–3.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Er3+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1679081
title: Materials Data on Ba2CoN2 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: 10.17188/1679082
title: Materials Data on Ti5As3 by Materials Project

description: Ti5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five equivalent As atoms. There are a spread of Ti–As bond distances ranging from 2.57–2.78 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent As atoms. All Ti–As bond lengths are 2.68 Å. As is bonded in a 9-coordinate geometry to nine Ti atoms.
DOI: 10.17188/1679083
title: Materials Data on Tl2Bi2Te3Se by Materials Project

description: Tl2Bi2Te3Se crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to four Te2- and two equivalent Se2- atoms to form TlTe4Se2 octahedra that share corners with two equivalent BiTe4Se2 octahedra, corners with four equivalent TlTe4Se2 octahedra, edges with four equivalent TlTe5Se octahedra, and edges with eight BiTe4Se2 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. There are a spread of Tl–Te bond distances ranging from 3.02–3.39 Å. There are one shorter (3.04 Å) and one longer (3.43 Å) Tl–Se bond lengths. In the second Tl1+ site, Tl1+ is bonded to five Te2- and one Se2- atom to form TlTe5Se octahedra that share corners with two equivalent BiTe5Se octahedra, corners with four equivalent TlTe5Se octahedra, edges with four equivalent TlTe4Se2 octahedra, and edges with eight BiTe4Se2 octahedra. The corner-sharing octahedra tilt angles range from 1–13°. There are a spread of Tl–Te bond distances ranging from 2.99–3.50 Å. The Tl–Se bond length is 3.23 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to four Te2- and two equivalent Se2- atoms to form distorted BiTe4Se2 octahedra that share corners with two equivalent TlTe4Se2 octahedra, corners with four equivalent BiTe4Se2 octahedra, edges with four equivalent BiTe5Se octahedra, and edges with eight TlTe4Se2 octahedra. The corner-sharing octahedra tilt angles range from 6–12°. There are a spread of Bi–Te bond distances ranging from 3.01–3.47 Å. There are one shorter (3.05 Å) and one longer (3.34 Å) Bi–Se bond lengths. In the second Bi3+ site, Bi3+ is bonded to five Te2- and one Se2- atom to form BiTe5Se octahedra that share corners with two equivalent TlTe5Se octahedra, corners with four equivalent BiTe5Se octahedra, edges with four equivalent BiTe4Se2 octahedra, and edges with eight TlTe4Se2 octahedra. The corner-sharing octahedra tilt angles range from 1–15°. There are a spread of Bi–Te bond distances ranging from 2.96–3.53 Å. The Bi–Se bond length is 3.67 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Tl1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing TeTl3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three Tl1+ and three Bi3+ atoms. In the third Te2- site, Te2- is bonded to three Tl1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing TeTl3Bi3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. Se2- is bonded in a 6-coordinate geometry to three Tl1+ and three Bi3+ atoms.
DOI: 10.17188/1679084
title: Materials Data on Pr6Fe13Hg by Materials Project

description: Pr6Fe13Hg crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two equivalent Hg atoms. There are a spread of Pr–Fe bond distances ranging from 2.97–3.34 Å. Both Pr–Hg bond lengths are 3.37 Å. In the second Pr site, Pr is bonded in a 1-coordinate geometry to twelve Fe and one Hg atom. There are a spread of Pr–Fe bond distances ranging from 3.04–3.26 Å. The Pr–Hg bond length is 3.37 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form a mixture of corner and face-sharing FePr2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.64 Å. In the second Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted corner and face-sharing FePr5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.52–2.58 Å. In the third Fe site, Fe is bonded to twelve Fe atoms to form a mixture of corner and face-sharing FeFe12 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. The Fe–Fe bond length is 2.73 Å. Hg is bonded in a distorted q6 geometry to ten Pr atoms.
DOI: 10.17188/1679085
title: Materials Data on Ba2CePbO6 by Materials Project

description: Ba2CePbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.81 Å) and six longer (3.12 Å) Ba–O bond lengths. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ce–O bond lengths are 2.24 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 16°. All Pb–O bond lengths are 2.21 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Ce4+, and one Pb4+ atom.
DOI: 10.17188/1679086
title: Materials Data on Fe3P2(H2O3)4 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: 10.17188/1679087
title: Materials Data on Ce2TeSe by Materials Project

description: Ce2TeSe is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Te and two equivalent Se atoms to form a mixture of edge and corner-sharing CeTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Te bond lengths are 3.07 Å. Both Ce–Se bond lengths are 3.07 Å. In the second Ce site, Ce is bonded to two equivalent Te and four equivalent Se atoms to form CeTe2Se4 octahedra that share corners with six equivalent CeTe2Se4 octahedra and edges with twelve CeTe4Se2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Te bond lengths are 3.07 Å. All Ce–Se bond lengths are 3.07 Å. Te is bonded to six Ce atoms to form TeCe6 octahedra that share corners with six equivalent TeCe6 octahedra, edges with four equivalent TeCe6 octahedra, and edges with eight equivalent SeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°. Se is bonded to six Ce atoms to form SeCe6 octahedra that share corners with six equivalent SeCe6 octahedra, edges with four equivalent SeCe6 octahedra, and edges with eight equivalent TeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1679088
title: Materials Data on Pm2CdHg by Materials Project

description: Pm2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Pm–Hg bond lengths are 3.31 Å. All Pm–Cd bond lengths are 3.31 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1679089
title: Materials Data on Gd3Y(FeO3)4 by Materials Project

description: Gd3Y(FeO3)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.74 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.74 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.75 Å. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.73 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 34–37°. There are a spread of Fe–O bond distances ranging from 2.03–2.06 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 34–37°. There are four shorter (2.04 Å) and two longer (2.06 Å) Fe–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Gd3+, one Y3+, and two Fe3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Gd3+, one Y3+, and two Fe3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Gd3+ and two Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two Gd3+, one Y3+, and two Fe3+ atoms. In the fifth O2- site, O2- is bonded to one Gd3+, one Y3+, and two equivalent Fe3+ atoms to form distorted corner-sharing OGdYFe2 trigonal pyramids. In the sixth O2- site, O2- is bonded to one Gd3+, one Y3+, and two equivalent Fe3+ atoms to form distorted corner-sharing OGdYFe2 trigonal pyramids. In the seventh O2- site, O2- is bonded to two Gd3+ and two equivalent Fe3+ atoms to form distorted corner-sharing OGd2Fe2 trigonal pyramids. In the eighth O2- site, O2- is bonded to two Gd3+ and two equivalent Fe3+ atoms to form distorted corner-sharing OGd2Fe2 trigonal pyramids.
DOI: 10.17188/1679091
title: Materials Data on CeCu2Si by Materials Project

description: CeCu2Si crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to ten Cu and four equivalent Si atoms. There are a spread of Ce–Cu bond distances ranging from 3.12–3.25 Å. All Ce–Si bond lengths are 3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ce, two equivalent Cu, and one Si atom. Both Cu–Cu bond lengths are 2.42 Å. The Cu–Si bond length is 2.38 Å. In the second Cu site, Cu is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Si atoms to form a mixture of distorted corner and face-sharing CuCe4Cu4Si4 cuboctahedra. All Cu–Cu bond lengths are 2.85 Å. There are two shorter (2.40 Å) and two longer (2.42 Å) Cu–Si bond lengths. Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Cu atoms.
DOI: 10.17188/1679092
title: Materials Data on GaCuBr3 by Materials Project

description: CuGaBr3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu1+ is bonded in a 4-coordinate geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.92 Å. Ga2+ is bonded to six Br1- atoms to form corner-sharing GaBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. There are two shorter (2.41 Å) and four longer (2.90 Å) Ga–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a linear geometry to two equivalent Ga2+ atoms. In the second Br1- site, Br1- is bonded to two equivalent Cu1+ and two equivalent Ga2+ atoms to form a mixture of distorted corner and edge-sharing BrGa2Cu2 tetrahedra.
DOI: 10.17188/1679093
title: Materials Data on Tb3Rh2 by Materials Project

description: Tb3Rh2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.89–3.49 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Rh atoms. There are two shorter (2.73 Å) and two longer (2.85 Å) Tb–Rh bond lengths. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.86–3.26 Å. In the fourth Tb site, Tb is bonded in a tetrahedral geometry to four equivalent Rh atoms. All Tb–Rh bond lengths are 2.91 Å. In the fifth Tb site, Tb is bonded in a 5-coordinate geometry to six Rh atoms. There are a spread of Tb–Rh bond distances ranging from 2.78–3.49 Å. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Tb atoms. In the third Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. In the fourth Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Tb atoms. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to eight Tb atoms. In the sixth Rh site, Rh is bonded in a 10-coordinate geometry to ten Tb atoms.
DOI: 10.17188/1679094
title: Materials Data on ErCo3Ge2 by Materials Project

description: ErCo3Ge2 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent Ge atoms. There are six shorter (3.06 Å) and six longer (3.36 Å) Er–Co bond lengths. All Er–Ge bond lengths are 3.04 Å. Co is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Co, and four equivalent Ge atoms. All Co–Co bond lengths are 2.62 Å. There are two shorter (2.37 Å) and two longer (2.39 Å) Co–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Co atoms.