cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188116
title: Materials Data on Dy2Al6Si4Pt by Materials Project

description: Dy2PtAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded to six Si atoms to form DySi6 octahedra that share corners with twelve AlSiPt3 tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six AlSi4 tetrahedra. There are three shorter (2.94 Å) and three longer (2.97 Å) Dy–Si bond lengths. Pt is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.54 Å) and two longer (2.55 Å) Pt–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to one Pt and three equivalent Si atoms to form AlSi3Pt tetrahedra that share corners with three equivalent DySi6 octahedra, corners with ten AlSiPt3 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 15°. All Al–Si bond lengths are 2.56 Å. In the second Al site, Al is bonded to three equivalent Pt and one Si atom to form distorted AlSiPt3 tetrahedra that share corners with three equivalent DySi6 octahedra, corners with twelve AlSiPt3 tetrahedra, and edges with six AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length is 2.62 Å. In the third Al site, Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent DySi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–54°. There are three shorter (2.50 Å) and one longer (2.54 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to three equivalent Dy and four Al atoms to form a mixture of distorted edge and corner-sharing SiDy3Al4 pentagonal bipyramids. In the second Si site, Si is bonded to three equivalent Dy and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiDy3Al4 pentagonal bipyramids.
DOI: 10.17188/1188117
title: Materials Data on Dy2Al6Si4Au by Materials Project

description: Dy2AuAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded to six Si atoms to form distorted DySi6 octahedra that share corners with twelve AlSi3Au tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six AlSi3Au tetrahedra. There are three shorter (2.96 Å) and three longer (2.97 Å) Dy–Si bond lengths. Au is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.57 Å) and two longer (2.63 Å) Au–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent DySi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are three shorter (2.51 Å) and one longer (2.54 Å) Al–Si bond lengths. In the second Al site, Al is bonded to one Au and three equivalent Si atoms to form AlSi3Au tetrahedra that share corners with three equivalent DySi6 octahedra, corners with ten AlSi3Au tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSiAu3 tetrahedra. The corner-sharing octahedral tilt angles are 17°. All Al–Si bond lengths are 2.55 Å. In the third Al site, Al is bonded to three equivalent Au and one Si atom to form distorted AlSiAu3 tetrahedra that share corners with three equivalent DySi6 octahedra, corners with twelve AlSi3Au tetrahedra, and edges with six AlSi3Au tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length is 2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to three equivalent Dy and four Al atoms to form a mixture of distorted corner and edge-sharing SiDy3Al4 pentagonal bipyramids. In the second Si site, Si is bonded to three equivalent Dy and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiDy3Al4 pentagonal bipyramids.
DOI: 10.17188/1188118
title: Materials Data on KSmGeSe4 by Materials Project

description: KSmGeSe4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.99 Å. Sm3+ is bonded to seven Se2- atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent SmSe7 pentagonal bipyramids, a cornercorner with one GeSe4 tetrahedra, edges with two equivalent SmSe7 pentagonal bipyramids, and edges with three equivalent GeSe4 tetrahedra. There are a spread of Sm–Se bond distances ranging from 2.98–3.11 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share a cornercorner with one SmSe7 pentagonal bipyramid and edges with three equivalent SmSe7 pentagonal bipyramids. There are a spread of Ge–Se bond distances ranging from 2.35–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Sm3+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Sm3+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent K1+, one Sm3+, and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted see-saw-like geometry to one K1+, two equivalent Sm3+, and one Ge4+ atom.
DOI: 10.17188/1188119
title: Materials Data on Eu3(Cu2Sn)4 by Materials Project

description: Eu3Cu8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to eight Cu and six Sn atoms. There are a spread of Eu–Cu bond distances ranging from 3.22–3.59 Å. There are a spread of Eu–Sn bond distances ranging from 3.30–3.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Eu, seven Cu, and three equivalent Sn atoms to form distorted CuEu2Cu7Sn3 cuboctahedra that share corners with four equivalent CuEu2Cu7Sn3 cuboctahedra, corners with five equivalent SnEu4Cu8 cuboctahedra, faces with six equivalent SnEu4Cu8 cuboctahedra, and faces with eight CuEu2Cu7Sn3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.77 Å. There are one shorter (2.70 Å) and two longer (2.75 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded to nine Cu and three equivalent Sn atoms to form CuCu9Sn3 cuboctahedra that share corners with three equivalent SnEu4Cu8 cuboctahedra, faces with six equivalent SnEu4Cu8 cuboctahedra, and faces with eight CuEu2Cu7Sn3 cuboctahedra. All Cu–Cu bond lengths are 2.63 Å. All Cu–Sn bond lengths are 2.74 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six equivalent Eu and four Sn atoms. There are three shorter (2.66 Å) and one longer (2.78 Å) Cu–Sn bond lengths. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Eu, four Cu, and four Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.73–2.96 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Eu and eight Cu atoms to form distorted SnEu4Cu8 cuboctahedra that share corners with four equivalent SnEu4Cu8 cuboctahedra, corners with six CuEu2Cu7Sn3 cuboctahedra, faces with eight CuEu2Cu7Sn3 cuboctahedra, and faces with eight equivalent SnEu4Cu8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four Cu atoms.
DOI: 10.17188/1188120
title: Materials Data on Rb2GeS3 by Materials Project

description: Rb2GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven S2- atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent RbS7 pentagonal bipyramids, corners with three equivalent GeS4 tetrahedra, edges with four equivalent RbS7 pentagonal bipyramids, and edges with three equivalent GeS4 tetrahedra. There are a spread of Rb–S bond distances ranging from 3.36–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.99 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent RbS7 pentagonal bipyramids, edges with three equivalent RbS7 pentagonal bipyramids, and an edgeedge with one GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.18–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the second S2- site, S2- is bonded to five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Ge4+ atoms.
DOI: 10.5281/zenodo.3755689
title: IODP Expedition 362 Titration

description: Various chemical constituents (most commonly chloride) were measured by titration using either an autotitrator (chloride) or a manual titrator (other compounds). Chloride was measured by ion-selective electrode and a silver nitrate titration until all chloride is bound as silver chloride.
DOI: 10.17188/1188121
title: Materials Data on ThC by Materials Project

description: ThC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th4+ is bonded to six equivalent C4- atoms to form a mixture of edge and corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.68 Å. C4- is bonded to six equivalent Th4+ atoms to form a mixture of edge and corner-sharing CTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1188122
title: Materials Data on Ag2SeO4 by Materials Project

description: Ag2SeO4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. Se6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Se–O bond lengths are 1.69 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one Se6+ atom.
DOI: 10.5281/zenodo.3755688
title: IODP Expedition 362 Titration

description: Various chemical constituents (most commonly chloride) were measured by titration using either an autotitrator (chloride) or a manual titrator (other compounds). Chloride was measured by ion-selective electrode and a silver nitrate titration until all chloride is bound as silver chloride.
DOI: 10.17188/1188123
title: Materials Data on K2Mg(PSe3)2 by Materials Project

description: K2Mg(PSe3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.78 Å. Mg2+ is bonded in an octahedral geometry to six Se2- atoms. There are a spread of Mg–Se bond distances ranging from 2.76–2.82 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mg2+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mg2+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mg2+, and one P4+ atom.
DOI: 10.15468/rdp6n4
title: Description of a new species of deep-water king-crab (Crustacea: Decapoda Anomura) from the southeastern Arabian Sea

description: This dataset contains the digitized treatments in Plazi based on the original journal article Padate, Vinay P., Cubelio, Sherine Sonia, Takeda, Masatsune (2020): Description of a new species of deep-water king-crab (Crustacea: Decapoda Anomura) from the southeastern Arabian Sea. Zootaxa 4845 (1): 71-82, DOI: https://doi.org/10.11646/zootaxa.4845.1.5
DOI: 10.17188/1188124
title: Materials Data on Li2Ca by Materials Project

description: CaLi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded to six equivalent Li and six equivalent Ca atoms to form a mixture of edge, face, and corner-sharing LiLi6Ca6 cuboctahedra. All Li–Li bond lengths are 3.09 Å. All Li–Ca bond lengths are 3.62 Å. Ca is bonded in a 12-coordinate geometry to twelve equivalent Li and four equivalent Ca atoms. All Ca–Ca bond lengths are 3.78 Å.
DOI: 10.17188/1188125
title: Materials Data on Cd(C2N3)2 by Materials Project

description: Cd(C2N3)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.30 Å) and two longer (2.53 Å) Cd–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Cd2+ and two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one Cd2+ and one C4+ atom.
DOI: 10.17188/1188126
title: Materials Data on Ca3SiO by Materials Project

description: Ca3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a distorted linear geometry to three equivalent Si4- and two equivalent O2- atoms. There are a spread of Ca–Si bond distances ranging from 3.10–3.34 Å. Both Ca–O bond lengths are 2.38 Å. In the second Ca2+ site, Ca2+ is bonded in a distorted linear geometry to three equivalent Si4- and two equivalent O2- atoms. There are a spread of Ca–Si bond distances ranging from 3.09–3.43 Å. Both Ca–O bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to nine Ca2+ atoms. O2- is bonded to six Ca2+ atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles are 13°.
DOI: 10.17188/1188127
title: Materials Data on Yb3SnO by Materials Project

description: Yb3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Yb–Sn bond lengths are 3.37 Å. Both Yb–O bond lengths are 2.38 Å. Sn is bonded to twelve equivalent Yb atoms to form SnYb12 cuboctahedra that share corners with twelve equivalent SnYb12 cuboctahedra, faces with six equivalent SnYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six equivalent Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent SnYb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1188128
title: Materials Data on Yb3PbO by Materials Project

description: Yb3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Yb–Pb bond lengths are 3.39 Å. Both Yb–O bond lengths are 2.40 Å. Pb is bonded to twelve equivalent Yb atoms to form PbYb12 cuboctahedra that share corners with twelve equivalent PbYb12 cuboctahedra, faces with six equivalent PbYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six equivalent Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent PbYb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1188129
title: Materials Data on BPO4 by Materials Project

description: BPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one B3+ and one P5+ atom.
DOI: 10.17188/1188130
title: Materials Data on BAsO4 by Materials Project

description: BAsO4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. All B–O bond lengths are 1.48 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There is two shorter (1.71 Å) and two longer (1.72 Å) As–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 B3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one As5+ atom.
DOI: 10.17188/1188131
title: Materials Data on Cu2SnSe3 by Materials Project

description: Cu2SnSe3 is Enargite-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five equivalent SnSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.46 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five equivalent SnSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with two equivalent SnSe4 tetrahedra and corners with ten CuSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.59–2.69 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Cu1+ and two equivalent Sn4+ atoms to form corner-sharing SeCu2Sn2 tetrahedra. In the second Se2- site, Se2- is bonded to three Cu1+ and one Sn4+ atom to form corner-sharing SeCu3Sn tetrahedra. In the third Se2- site, Se2- is bonded to three Cu1+ and one Sn4+ atom to form corner-sharing SeCu3Sn tetrahedra.
DOI: 10.17188/1188132
title: Materials Data on BaTi(BO3)2 by Materials Project

description: BaTi(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ba–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ti–O bond lengths are 1.97 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ti4+, and one B3+ atom.
DOI: 10.17188/1188133
title: Materials Data on Hf3N4 by Materials Project

description: Hf3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.21 Å) and four longer (2.45 Å) Hf–N bond lengths. N3- is bonded in a 6-coordinate geometry to six equivalent Hf4+ atoms.
DOI: 10.17188/1188134
title: Materials Data on Zr3N4 by Materials Project

description: Zr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.25 Å) and four longer (2.47 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr4+ atoms to form a mixture of distorted corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°.
DOI: 10.17188/1188135
title: Materials Data on Ce2(Zn2Ge)3 by Materials Project

description: Ce2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.25 Å) and six longer (3.45 Å) Ce–Zn bond lengths. All Ce–Ge bond lengths are 3.13 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Ce, four equivalent Zn, and three equivalent Ge atoms. All Zn–Zn bond lengths are 2.80 Å. There are one shorter (2.53 Å) and two longer (2.67 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a distorted water-like geometry to two equivalent Ce, six Zn, and two equivalent Ge atoms. Both Zn–Zn bond lengths are 2.53 Å. Both Zn–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Zn atoms.
DOI: 10.17631/rd-2021-0001-dsfu
title: Interviews with survivors of Albanian dictatorship across generations

description: The interviews are 86.9 minutes long on average and range from 32 to 240 minutes. The dataset contains 27 anonymised transcripts in the original language together with documentation, including the coding structure used for data analysis, the interview schedule and the informed consent procedures.
DOI: 10.17188/1188136
title: Materials Data on Pr2(Zn2Ge)3 by Materials Project

description: Pr2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.27 Å) and six longer (3.45 Å) Pr–Zn bond lengths. All Pr–Ge bond lengths are 3.17 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Pr and three equivalent Ge atoms. There are one shorter (2.54 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Zn atoms.
DOI: 10.17188/1188137
title: Materials Data on Nd2(Zn2Ge)3 by Materials Project

description: Nd2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.26 Å) and six longer (3.44 Å) Nd–Zn bond lengths. All Nd–Ge bond lengths are 3.15 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Nd and three equivalent Ge atoms. There are one shorter (2.53 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd and five Zn atoms.