cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730275
title: Materials Data on Al2H15SClO13 by Materials Project

description: Al2H15SO13Cl crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Al2H15SO13Cl sheets oriented in the (0, 1, 0) direction. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Al–O bond distances ranging from 1.87–1.96 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (0.99 Å) and one longer (1.70 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.01 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two H1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent H1+ atoms.
DOI: 10.17188/1730276
title: Materials Data on Zr2AlSi by Materials Project

description: Zr2AlSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Al and four equivalent Si atoms. There are one shorter (2.82 Å) and two longer (2.98 Å) Zr–Al bond lengths. All Zr–Si bond lengths are 2.80 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to four equivalent Al and three equivalent Si atoms. All Zr–Al bond lengths are 2.80 Å. There are one shorter (2.82 Å) and two longer (2.98 Å) Zr–Si bond lengths. Al is bonded in a 9-coordinate geometry to seven Zr and two equivalent Si atoms. Both Al–Si bond lengths are 2.52 Å. Si is bonded in a 9-coordinate geometry to seven Zr and two equivalent Al atoms.
DOI: 10.17188/1730277
title: Materials Data on LiVF4 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: 10.17188/1730278
title: Materials Data on Rb2DyAuCl6 by Materials Project

description: Rb2DyAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent DyCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.81 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.64 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent DyCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.76 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Dy3+, and one Au1+ atom.
DOI: 10.17188/1730279
title: Materials Data on Li2Fe3SnO8 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: 10.17188/1730280
title: Materials Data on NaLa2TaTi2O10 by Materials Project

description: NaLa2Ti2TaO10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.30–2.38 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with four equivalent TiO6 octahedra. There are a spread of La–O bond distances ranging from 2.59–2.82 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.42–3.11 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent TiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Ti–O bond distances ranging from 1.86–2.06 Å. In the second Ti4+ site, Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ti–O bond distances ranging from 1.69–2.04 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.79–2.35 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Na1+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OLa2Ti2 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent La3+ and one Ti4+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent La3+, one Ti4+, and one Ta5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two equivalent Ti4+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three La3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1730281
title: Materials Data on Yb5P7Pd9 by Materials Project

description: Yb5Pd9P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to nine Pd and six equivalent P atoms. There are three shorter (3.23 Å) and six longer (3.25 Å) Yb–Pd bond lengths. All Yb–P bond lengths are 3.00 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to nine Pd and six equivalent P atoms. There are six shorter (3.18 Å) and three longer (3.46 Å) Yb–Pd bond lengths. All Yb–P bond lengths are 3.11 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to seven Pd and five P atoms. There are a spread of Yb–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Yb–P bond distances ranging from 2.83–2.89 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to four Yb, four Pd, and four P atoms. There are two shorter (2.91 Å) and two longer (2.92 Å) Pd–Pd bond lengths. There are a spread of Pd–P bond distances ranging from 2.35–2.56 Å. In the second Pd site, Pd is bonded in a 12-coordinate geometry to five Yb, three Pd, and four P atoms. The Pd–Pd bond length is 2.88 Å. There are a spread of Pd–P bond distances ranging from 2.48–2.61 Å. In the third Pd site, Pd is bonded in a 6-coordinate geometry to four Yb, three Pd, and four P atoms. There are a spread of Pd–P bond distances ranging from 2.35–2.88 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three Yb and six Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Pd atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Yb and five Pd atoms.
DOI: 10.17188/1730282
title: Materials Data on Bi7I2 by Materials Project

description: Bi7I2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are seven inequivalent Bi sites. In the first Bi site, Bi is bonded to six Bi atoms to form distorted edge-sharing BiBi6 octahedra. There are a spread of Bi–Bi bond distances ranging from 3.08–3.65 Å. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Bi atoms. Both Bi–Bi bond lengths are 3.07 Å. In the third Bi site, Bi is bonded to six Bi atoms to form a mixture of distorted edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are one shorter (3.10 Å) and two longer (3.65 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded to six Bi atoms to form a mixture of distorted edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Bi–Bi bond distances ranging from 3.08–3.63 Å. In the fifth Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Bi and two I atoms. There are one shorter (3.10 Å) and one longer (3.20 Å) Bi–I bond lengths. In the sixth Bi site, Bi is bonded in a 6-coordinate geometry to three Bi and three equivalent I atoms. There are two shorter (3.64 Å) and one longer (3.69 Å) Bi–I bond lengths. In the seventh Bi site, Bi is bonded in a 6-coordinate geometry to four Bi atoms. Both Bi–Bi bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to four Bi atoms. In the second I site, I is bonded in a single-bond geometry to one Bi atom.
DOI: 10.17188/1730283
title: Materials Data on AmOs2 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: 10.17188/1730284
title: Materials Data on Cd3(GaN2)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: 10.17188/1730285
title: Materials Data on Eu3NbO6 by Materials Project

description: Eu3NbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.41–3.06 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. There are two shorter (2.37 Å) and four longer (2.41 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 35–40°. There are two shorter (2.02 Å) and four longer (2.05 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.33+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Eu+2.33+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Eu+2.33+ and one Nb5+ atom.
DOI: 10.17188/1730286
title: Materials Data on LiFe4(BO3)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: 10.17188/1730287
title: Materials Data on Rb3VO8 by Materials Project

description: Rb3VO8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.28 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.31 Å. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.26 Å. V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one ORb3O trigonal pyramid. There are a spread of V–O bond distances ranging from 1.70–2.00 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one V atom. In the second O site, O is bonded to five Rb atoms to form distorted ORb5 trigonal bipyramids that share corners with four equivalent ORb3O trigonal pyramids and edges with two equivalent ORb5 trigonal bipyramids. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one V atom. In the fourth O site, O is bonded to three Rb and one O atom to form distorted ORb3O trigonal pyramids that share a cornercorner with one VO4 tetrahedra, corners with four equivalent ORb5 trigonal bipyramids, and an edgeedge with one ORb3O trigonal pyramid. The O–O bond length is 1.34 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one V and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one V atom. In the eighth O site, O is bonded in a distorted see-saw-like geometry to three Rb and one O atom.
DOI: 10.6073/pasta/79cc14664e09d45efce5ce10ad7b09f2
title: Jornada Basin LTER: Wireless meteorological station at NPP G-BASN site: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data at NPP G-BASN met station. 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 at an automated meteorological station installed at Jornada LTER NPP G-BASN site. Measurements are made every 30 minutes at 10 cm, 20 cm, and 30 cm soil depths. This is an ONGOING dataset.
DOI: 10.17188/1730288
title: Materials Data on Yb14Hg51 by Materials Project

description: Yb14Hg51 is beta Plutonium-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Yb–Hg bond distances ranging from 3.22–3.78 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to fourteen Hg atoms. There are a spread of Yb–Hg bond distances ranging from 3.22–3.67 Å. In the third Yb site, Yb is bonded in a 2-coordinate geometry to thirteen Hg atoms. There are a spread of Yb–Hg bond distances ranging from 3.27–3.59 Å. In the fourth Yb site, Yb is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Yb–Hg bond distances ranging from 3.23–3.66 Å. In the fifth Yb site, Yb is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Yb–Hg bond distances ranging from 3.36–3.62 Å. There are thirteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Hg atoms. All Hg–Hg bond lengths are 3.33 Å. In the second Hg site, Hg is bonded to four Yb and eight Hg atoms to form distorted face-sharing HgYb4Hg8 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.90–3.28 Å. In the third Hg site, Hg is bonded in a 12-coordinate geometry to four Yb and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.33 Å. In the fourth Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Yb and six equivalent Hg atoms. All Hg–Hg bond lengths are 3.13 Å. In the fifth Hg site, Hg is bonded in a 11-coordinate geometry to four Yb and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.99–3.31 Å. In the sixth Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Yb and six equivalent Hg atoms. All Hg–Hg bond lengths are 3.11 Å. In the seventh Hg site, Hg is bonded in a 2-coordinate geometry to four Yb and eight Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.98–3.36 Å. In the eighth Hg site, Hg is bonded in a 11-coordinate geometry to four Yb and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.98–3.34 Å. In the ninth Hg site, Hg is bonded in a 3-coordinate geometry to four Yb and six Hg atoms. The Hg–Hg bond length is 3.06 Å. In the tenth Hg site, Hg is bonded in a 3-coordinate geometry to four Yb and four Hg atoms. In the eleventh Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Hg atoms. In the twelfth Hg site, Hg is bonded in a 4-coordinate geometry to four Yb and four Hg atoms. In the thirteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Yb and six Hg atoms. Both Hg–Hg bond lengths are 2.96 Å.
DOI: 10.17188/1730289
title: Materials Data on RbAuBr3 by Materials Project

description: RbAuBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with eight equivalent AuBr6 octahedra. All Rb–Br bond lengths are 3.84 Å. Au2+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.72 Å. Br1- is bonded to four equivalent Rb1+ and two equivalent Au2+ atoms to form a mixture of distorted edge, face, and corner-sharing BrRb4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1730290
title: Materials Data on Cs2YTlF6 by Materials Project

description: Cs2YTlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent YF6 octahedra, and faces with four equivalent TlF6 octahedra. All Cs–F bond lengths are 3.48 Å. Y3+ is bonded to six equivalent F1- atoms to form YF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–F bond lengths are 2.19 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent YF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.71 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Y3+, and one Tl1+ atom.
DOI: 10.17188/1730291
title: Materials Data on Li(CoO2)3 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: 10.17188/1730293
title: Materials Data on NaLiHo2F8 by Materials Project

description: NaLiHo2F8 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.21–2.55 Å. Li1+ is bonded to six F1- atoms to form distorted corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (1.90 Å) and four longer (2.25 Å) Li–F bond lengths. Ho3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ho–F bond distances ranging from 2.20–2.45 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Ho3+ atoms. In the second F1- site, F1- is bonded to one Na1+, one Li1+, and two equivalent Ho3+ atoms to form a mixture of distorted corner and edge-sharing FNaLiHo2 trigonal pyramids. In the third F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Ho3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Ho3+ atoms.
DOI: 10.17188/1730294
title: Materials Data on VTc2Mo by Materials Project

description: VMoTc2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VMoTc2 ribbons oriented in the (1, 0, 0) direction. V4+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both V–Tc bond lengths are 2.12 Å. Mo2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.25 Å. Tc3- is bonded in a linear geometry to one V4+ and one Mo2+ atom.