cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1189321
title: Materials Data on K2SiF6 by Materials Project

description: K2SiF6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with six equivalent KF12 cuboctahedra, corners with three equivalent SiF6 octahedra, faces with eight KF12 cuboctahedra, and faces with three equivalent SiF6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of K–F bond distances ranging from 2.91–3.14 Å. In the second K1+ site, K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent SiF6 octahedra. There are a spread of K–F bond distances ranging from 2.84–2.96 Å. Si4+ is bonded to six F1- atoms to form SiF6 octahedra that share corners with three equivalent KF12 cuboctahedra and faces with seven KF12 cuboctahedra. All Si–F bond lengths are 1.72 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four K1+ and one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Si4+ atom.
DOI: 10.17188/1189322
title: Materials Data on CdGeO3 by Materials Project

description: CdGeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.69 Å. Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedra tilt angles range from 29–30°. There is two shorter (1.93 Å) and four longer (1.96 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 Cd2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Ge4+ atoms to form distorted corner-sharing OCd2Ge2 tetrahedra.
DOI: 10.17188/1189323
title: Materials Data on LaCrGe3 by Materials Project

description: LaCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to twelve equivalent Ge atoms to form distorted LaGe12 cuboctahedra that share corners with six equivalent LaGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent LaGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.12 Å) and six longer (3.27 Å) La–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent LaGe12 cuboctahedra, faces with six equivalent LaGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.52 Å. Ge is bonded in a 8-coordinate geometry to four equivalent La, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å.
DOI: 10.17188/1189324
title: Materials Data on PrCrGe3 by Materials Project

description: PrCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form distorted PrGe12 cuboctahedra that share corners with six equivalent PrGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent PrGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.10 Å) and six longer (3.25 Å) Pr–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent PrGe12 cuboctahedra, faces with six equivalent PrGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.51 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Pr, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å.
DOI: 10.17188/1189325
title: Materials Data on NdCrGe3 by Materials Project

description: NdCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form distorted NdGe12 cuboctahedra that share corners with six equivalent NdGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent NdGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.09 Å) and six longer (3.25 Å) Nd–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent NdGe12 cuboctahedra, faces with six equivalent NdGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.51 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Nd, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å.
DOI: 10.17188/1189326
title: Materials Data on SmCrGe3 by Materials Project

description: SmCrGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Ge atoms to form distorted SmGe12 cuboctahedra that share corners with six equivalent SmGe12 cuboctahedra, corners with six equivalent CrGe6 octahedra, faces with eight equivalent SmGe12 cuboctahedra, and faces with six equivalent CrGe6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are six shorter (3.08 Å) and six longer (3.23 Å) Sm–Ge bond lengths. Cr is bonded to six equivalent Ge atoms to form CrGe6 octahedra that share corners with six equivalent SmGe12 cuboctahedra, faces with six equivalent SmGe12 cuboctahedra, and faces with two equivalent CrGe6 octahedra. All Cr–Ge bond lengths are 2.49 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Sm, two equivalent Cr, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.
DOI: 10.17188/1189327
title: Materials Data on Yb2S3 by Materials Project

description: Yb2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing YbS6 octahedra. The corner-sharing octahedra tilt angles range from 44–62°. There are three shorter (2.79 Å) and three longer (2.80 Å) Yb–S bond lengths. S2- is bonded in a distorted see-saw-like geometry to four equivalent Yb3+ atoms.
DOI: 10.17188/1189328
title: Materials Data on YSn2 by Materials Project

description: YSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Y and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.
DOI: 10.17188/1189329
title: Materials Data on UCo4Sn by Materials Project

description: UCo4Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent Sn atoms. All U–Co bond lengths are 2.90 Å. All U–Sn bond lengths are 3.03 Å. Co is bonded to three equivalent U, six equivalent Co, and three equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CoU3Co6Sn3 cuboctahedra. There are three shorter (2.44 Å) and three longer (2.50 Å) Co–Co bond lengths. All Co–Sn bond lengths are 2.89 Å. Sn is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Co atoms.
DOI: 10.17188/1189330
title: Materials Data on NaLa2TaO6 by Materials Project

description: La2NaTaO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Na–O bond distances ranging from 2.34–2.43 Å. La3+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.86 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Ta–O bond distances ranging from 2.00–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent La3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent La3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent La3+, and one Ta5+ atom.
DOI: 10.17188/1189331
title: Materials Data on PrO2 by Materials Project

description: PrO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.48 Å. O2- is bonded to four equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1189332
title: Materials Data on Ti5CuSb2 by Materials Project

description: CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Cu and four equivalent Sb atoms. Both Ti–Cu bond lengths are 2.70 Å. There are two shorter (2.79 Å) and two longer (3.01 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.
DOI: 10.17188/1189333
title: Materials Data on AlPO4 by Materials Project

description: AlPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent AlO6 octahedra. There is two shorter (1.82 Å) and four longer (2.01 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom.
DOI: 10.17188/1189334
title: Materials Data on YbZnPd by Materials Project

description: YbPdZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Zn atoms. There are a spread of Yb–Pd bond distances ranging from 2.98–3.09 Å. There are a spread of Yb–Zn bond distances ranging from 3.10–3.27 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.62–2.67 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.
DOI: 10.17188/1189335
title: Materials Data on YbZnPt by Materials Project

description: YbPtZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Pt and six equivalent Zn atoms. There are three shorter (2.98 Å) and two longer (3.03 Å) Yb–Pt bond lengths. There are a spread of Yb–Zn bond distances ranging from 3.09–3.35 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.62–2.69 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Yb and four equivalent Pt atoms.
DOI: 10.17188/1189336
title: Materials Data on YbZnAu by Materials Project

description: YbAuZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Au and six equivalent Zn atoms. There are a spread of Yb–Au bond distances ranging from 3.03–3.09 Å. There are a spread of Yb–Zn bond distances ranging from 3.21–3.39 Å. Au is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are a spread of Au–Zn bond distances ranging from 2.69–2.80 Å. Zn is bonded in a 4-coordinate geometry to six equivalent Yb and four equivalent Au atoms.
DOI: 10.17188/1189337
title: Materials Data on MgSe by Materials Project

description: MgSe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form corner-sharing MgSe4 tetrahedra. All Mg–Se bond lengths are 2.60 Å. Se2- is bonded to four equivalent Mg2+ atoms to form corner-sharing SeMg4 tetrahedra.
DOI: 10.17188/1189338
title: Materials Data on MgS by Materials Project

description: MgS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form corner-sharing MgS4 tetrahedra. All Mg–S bond lengths are 2.47 Å. S2- is bonded to four equivalent Mg2+ atoms to form corner-sharing SMg4 tetrahedra.
DOI: 10.17188/1189339
title: Materials Data on MgTe by Materials Project

description: MgTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form corner-sharing MgTe4 tetrahedra. All Mg–Te bond lengths are 2.82 Å. Te2- is bonded to four equivalent Mg2+ atoms to form corner-sharing TeMg4 tetrahedra.
DOI: 10.17188/1189340
title: Materials Data on MoN by Materials Project

description: MoN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo3+ is bonded to four equivalent N3- atoms to form corner-sharing MoN4 tetrahedra. All Mo–N bond lengths are 2.02 Å. N3- is bonded to four equivalent Mo3+ atoms to form corner-sharing NMo4 tetrahedra.
DOI: 10.17188/1189341
title: Materials Data on MoN by Materials Project

description: MoN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mo3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Mo–N bond lengths are 2.34 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Mo3+ atoms.
DOI: 10.17188/1189342
title: Materials Data on MoN by Materials Project

description: MoN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing MoN6 pentagonal pyramids. All Mo–N bond lengths are 2.19 Å. N3- is bonded to six equivalent Mo3+ atoms to form a mixture of distorted corner, edge, and face-sharing NMo6 pentagonal pyramids.
DOI: 10.17188/1189343
title: Materials Data on TmGe2 by Materials Project

description: TmGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.91–3.20 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Tm and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å.
DOI: 10.17188/1189344
title: Materials Data on Dy2C(NO)2 by Materials Project

description: Dy2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Dy–N bond lengths are 2.58 Å. There are three shorter (2.24 Å) and one longer (2.30 Å) Dy–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Dy3+ and one C4+ atom. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.
DOI: 10.17188/1189345
title: Materials Data on Tm2C(NO)2 by Materials Project

description: Tm2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Tm–N bond lengths are 2.54 Å. There are three shorter (2.20 Å) and one longer (2.27 Å) Tm–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Tm3+ and one C4+ atom. O2- is bonded to four equivalent Tm3+ atoms to form a mixture of corner and edge-sharing OTm4 tetrahedra.
DOI: 10.17188/1189346
title: Materials Data on Zr5Si4 by Materials Project

description: Zr5Si4 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent Zr+3.20+ sites. In the first Zr+3.20+ site, Zr+3.20+ is bonded to six Si4- atoms to form distorted ZrSi6 pentagonal pyramids that share corners with three equivalent ZrSi6 octahedra, corners with five equivalent ZrSi7 pentagonal bipyramids, corners with four equivalent ZrSi6 pentagonal pyramids, edges with two equivalent ZrSi7 pentagonal bipyramids, edges with four equivalent ZrSi6 pentagonal pyramids, faces with two equivalent ZrSi6 octahedra, and faces with four equivalent ZrSi7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–44°. There are a spread of Zr–Si bond distances ranging from 2.65–2.80 Å. In the second Zr+3.20+ site, Zr+3.20+ is bonded to seven Si4- atoms to form distorted ZrSi7 pentagonal bipyramids that share corners with four equivalent ZrSi6 octahedra, corners with six equivalent ZrSi7 pentagonal bipyramids, corners with five equivalent ZrSi6 pentagonal pyramids, edges with three equivalent ZrSi7 pentagonal bipyramids, edges with two equivalent ZrSi6 pentagonal pyramids, faces with two equivalent ZrSi6 octahedra, faces with two equivalent ZrSi7 pentagonal bipyramids, and faces with four equivalent ZrSi6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 43–51°. There are a spread of Zr–Si bond distances ranging from 2.77–3.15 Å. In the third Zr+3.20+ site, Zr+3.20+ is bonded to six Si4- atoms to form ZrSi6 octahedra that share corners with four equivalent ZrSi6 octahedra, corners with eight equivalent ZrSi7 pentagonal bipyramids, corners with six equivalent ZrSi6 pentagonal pyramids, faces with four equivalent ZrSi7 pentagonal bipyramids, and faces with four equivalent ZrSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Zr–Si bond distances ranging from 2.77–2.89 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Zr+3.20+ and one Si4- atom. The Si–Si bond length is 2.51 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Zr+3.20+ and one Si4- atom.
DOI: 10.17188/1189347
title: Materials Data on Yb2C(NO)2 by Materials Project

description: Yb2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Yb–N bond lengths are 2.63 Å. There are three shorter (2.25 Å) and one longer (2.28 Å) Yb–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one C4+ atom. O2- is bonded to four equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra.
DOI: 10.17188/1189348
title: Materials Data on NaSr3TaO6 by Materials Project

description: NaSr3TaO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.42 Å. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.96 Å. Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.02 Å. O2- is bonded in a 6-coordinate geometry to one Na1+, four equivalent Sr2+, and one Ta5+ atom.
DOI: 10.17188/1189349
title: Materials Data on EuCuSn2 by Materials Project

description: EuCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent Cu and ten Sn atoms. All Eu–Cu bond lengths are 3.46 Å. There are a spread of Eu–Sn bond distances ranging from 3.45–3.69 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Eu and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.54–2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Eu, four equivalent Cu, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.21 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Eu, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.83 Å.
DOI: 10.17188/1189350
title: Materials Data on Sr2Si by Materials Project

description: Sr2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Sr–Si bond lengths are 3.13 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing SrSi6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sr–Si bond lengths are 3.65 Å. Si4- is bonded in a distorted trigonal planar geometry to nine Sr2+ atoms.
DOI: 10.17188/1189351
title: Materials Data on Sr5Si3 by Materials Project

description: Sr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Sr–Si bond distances ranging from 3.24–3.47 Å. In the second Sr site, Sr is bonded to four equivalent Si atoms to form distorted edge-sharing SrSi4 tetrahedra. All Sr–Si bond lengths are 3.19 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six Sr atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.