cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1731700
title: Materials Data on CsTlO by Materials Project

description: CsTlO is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two CsTlO sheets oriented in the (1, 0, 0) direction. Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are two shorter (3.00 Å) and one longer (3.04 Å) Cs–O bond lengths. Tl1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are one shorter (2.37 Å) and two longer (2.51 Å) Tl–O bond lengths. O2- is bonded to three equivalent Cs1+ and three equivalent Tl1+ atoms to form edge-sharing OCs3Tl3 octahedra.
DOI: 10.6073/pasta/4e7e8115a6e227fc76a5692ca8dbdceb
title: Jornada Basin LTER: Wireless substation at NPP T-WEST site: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data is measured at 10cm, 20 cm, and 30 cm soil depths at the NPP T-WEST substation located in center of 70m x 70m Jornada LTER NPP T-WEST site. Collection of soil volumetric water content data at Jornada LTER NPP sites, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are measured every 30 minutes. This is an ONGOING dataset.
DOI: 10.17188/1731701
title: Materials Data on Sr3Nb2CoO9 by Materials Project

description: Sr3Nb2CoO9 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.11 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.16 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.16 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to four O2- atoms to form corner-sharing NbO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.81–1.93 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are a spread of Nb–O bond distances ranging from 1.96–2.09 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.58 Å) Co–O bond lengths. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. There are a spread of Co–O bond distances ranging from 1.96–2.07 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Nb5+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Nb5+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one Nb5+, and one Co2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Nb5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+, one Nb5+, and one Co2+ atom.
DOI: 10.17188/1731702
title: Materials Data on Lu6Cu23 by Materials Project

description: Lu6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Lu–Cu bond distances ranging from 2.86–3.02 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Lu and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–2.63 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.51 Å. In the third Cu site, Cu is bonded to four equivalent Lu and eight Cu atoms to form a mixture of corner and face-sharing CuLu4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.61 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Lu and ten Cu atoms. All Cu–Cu bond lengths are 2.90 Å.
DOI: 10.17188/1731703
title: Materials Data on LaGdAl4 by Materials Project

description: GdLaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Gd–La bond lengths are 3.47 Å. All Gd–Al bond lengths are 3.32 Å. La is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All La–Al bond lengths are 3.32 Å. Al is bonded to three equivalent Gd, three equivalent La, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLa3Gd3Al6 cuboctahedra. There are three shorter (2.83 Å) and three longer (2.84 Å) Al–Al bond lengths.
DOI: 10.17188/1731707
title: Materials Data on Li2VCr(P2O7)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: 10.17188/1731708
title: Materials Data on V2Se2O13 by Materials Project

description: (VSeO5)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and four VSeO5 ribbons oriented in the (0, 1, 0) direction. In each VSeO5 ribbon, V is bonded in a tetrahedral geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.63–1.84 Å. Se is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.70–2.24 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one V and one Se atom. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one V and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one V and one Se atom.
DOI: 10.17188/1731709
title: Materials Data on EuZrSe3 by Materials Project

description: EuZrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.16–3.40 Å. Zr4+ is bonded to six Se2- atoms to form edge-sharing ZrSe6 octahedra. There are a spread of Zr–Se bond distances ranging from 2.62–2.75 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Eu2+ and three equivalent Zr4+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Eu2+ and two equivalent Zr4+ atoms. In the third Se2- site, Se2- is bonded to four equivalent Eu2+ and one Zr4+ atom to form a mixture of distorted corner and edge-sharing SeEu4Zr square pyramids.
DOI: 10.17188/1731710
title: Materials Data on LiFe2C2O7 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: 10.17188/1731712
title: Materials Data on LiVF3 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: 10.17188/1731713
title: Materials Data on CdHgSe2 by Materials Project

description: HgCdSe2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent CdSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight equivalent HgSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. Se2- is bonded to two equivalent Hg2+ and two equivalent Cd2+ atoms to form corner-sharing SeCd2Hg2 tetrahedra.
DOI: 10.17188/1731714
title: Materials Data on Sr3UO6 by Materials Project

description: Sr3UO6 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of Sr–O bond distances ranging from 2.47–2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.17 Å. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.23 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are two shorter (2.08 Å) and four longer (2.11 Å) U–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one U6+ atom to form distorted corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one U6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Sr2+ and one U6+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and one U6+ atom to form distorted corner-sharing OSr3U tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one U6+ atom.
DOI: 10.17188/1731715
title: Materials Data on KDy(MoO4)2 by Materials Project

description: KDy(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.38 Å. Dy3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.29–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.43 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent Dy3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Dy3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Dy3+, and one Mo6+ atom.
DOI: 10.17188/1731716
title: Materials Data on Na5LiFe2P2(CO7)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: 10.17188/1731718
title: Materials Data on Al2VO7 by Materials Project

description: VAl2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.81–2.07 Å. In the second Al site, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent VO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.78 Å) Al–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one V and one Al atom. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one Al atom. In the third O site, O is bonded in a bent 150 degrees geometry to one V and one Al atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Al atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two Al atoms.
DOI: 10.17188/1731719
title: Materials Data on Mg4SO18 by Materials Project

description: (Mg2O5)2SO4(O2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight oxygen molecules; four sulfuric acid molecules; and two Mg2O5 sheets oriented in the (0, 0, 1) direction. In each Mg2O5 sheet, there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.90–2.54 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.97–2.17 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. The O–O bond length is 1.54 Å. In the third O site, O is bonded in a distorted T-shaped geometry to three Mg atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1731720
title: Materials Data on Mn(O2F)2 by Materials Project

description: MnO4F2 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one MnO4F2 sheet oriented in the (1, 0, 0) direction. Mn is bonded in a 4-coordinate geometry to four O and two F atoms. There are a spread of Mn–O bond distances ranging from 2.08–2.75 Å. There is one shorter (1.83 Å) and one longer (1.84 Å) Mn–F bond length. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Mn and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Mn atom. In the second F site, F is bonded in a single-bond geometry to one Mn atom.
DOI: 10.17188/1731721
title: Materials Data on Zn2Ga2S5 by Materials Project

description: Zn2Ga2S5 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Zn2Ga2S5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent GaS6 octahedra and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three shorter (2.29 Å) and one longer (2.56 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent GaS6 octahedra, corners with three equivalent GaS4 tetrahedra, and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.24 Å) and three longer (2.36 Å) Zn–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six S2- atoms to form GaS6 octahedra that share corners with six ZnS4 tetrahedra and edges with six equivalent GaS6 octahedra. There are three shorter (2.47 Å) and three longer (2.57 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with three equivalent ZnS4 tetrahedra and corners with six equivalent GaS4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.34 Å) Ga–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form distorted SZnGa3 trigonal pyramids that share corners with six SZn3Ga tetrahedra, corners with six equivalent SZnGa3 trigonal pyramids, and edges with three equivalent SZnGa3 tetrahedra. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the fourth S2- site, S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing SZnGa3 tetrahedra. In the fifth S2- site, S2- is bonded to three equivalent Zn2+ and one Ga3+ atom to form SZn3Ga tetrahedra that share corners with six equivalent SZn3Ga tetrahedra and corners with three equivalent SZnGa3 trigonal pyramids.
DOI: 10.17188/1731722
title: Materials Data on SiC by Materials Project

description: SiC is Moissanite-6H-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fourth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fourth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. All C–Si bond lengths are 1.90 Å.
DOI: 10.17188/1731723
title: Materials Data on AgCl by Materials Project

description: AgCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Ag–Cl bond lengths are 2.97 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Ag1+ atoms.
DOI: 10.17188/1731724
title: Materials Data on Y2SnHg by Materials Project

description: Y2HgSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2HgSn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Hg and one Sn atom. The Y–Hg bond length is 3.21 Å. The Y–Sn bond length is 2.81 Å. Hg is bonded in a linear geometry to two equivalent Y atoms. Sn is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1731725
title: Materials Data on U2CoCu3Ge4 by Materials Project

description: U2CoCu3Ge4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to two equivalent Co, six Cu, and eight Ge atoms. Both U–Co bond lengths are 3.23 Å. There are two shorter (3.23 Å) and four longer (3.30 Å) U–Cu bond lengths. There are four shorter (3.11 Å) and four longer (3.12 Å) U–Ge bond lengths. Co is bonded to four equivalent U and four equivalent Ge atoms to form distorted CoU4Ge4 tetrahedra that share corners with twelve CuU4Ge4 tetrahedra, edges with two equivalent CuU4Ge4 tetrahedra, edges with four equivalent CoU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Co–Ge bond lengths are 2.39 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with four equivalent CuU4Ge4 tetrahedra, corners with eight equivalent CoU4Ge4 tetrahedra, edges with six CuU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. In the second Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with twelve CuU4Ge4 tetrahedra, edges with six CuU4Ge4 tetrahedra, and faces with four equivalent CoU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.39 Å. In the third Cu site, Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with four equivalent CoU4Ge4 tetrahedra, corners with eight equivalent CuU4Ge4 tetrahedra, edges with two equivalent CoU4Ge4 tetrahedra, edges with four equivalent CuU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Co, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Cu, and one Ge atom.
DOI: 10.17188/1731726
title: Materials Data on SrMg by Materials Project

description: SrMg is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded to six equivalent Mg atoms to form a mixture of edge and corner-sharing SrMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–Mg bond lengths are 3.50 Å. Mg is bonded to six equivalent Sr atoms to form a mixture of edge and corner-sharing MgSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1731727
title: Materials Data on Pr5Sn3 by Materials Project

description: Pr5Sn3 crystallizes in the hexagonal P6_3/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 six equivalent Sn atoms. All Pr–Sn bond lengths are 3.37 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.22–3.68 Å. Sn is bonded in a 9-coordinate geometry to nine Pr atoms.