cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315828
title: Materials Data on K3Gd(PO4)2 by Materials Project

description: K3Gd(PO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.26 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.02 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.12 Å. Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with five PO4 tetrahedra and an edgeedge with one PO4 tetrahedra. There are a spread of Gd–O bond distances ranging from 2.30–2.53 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent GdO7 pentagonal bipyramids. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent GdO7 pentagonal bipyramids and an edgeedge with one GdO7 pentagonal bipyramid. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one Gd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one Gd3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one Gd3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one Gd3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Gd3+, and one P5+ atom.
DOI: 10.17188/1315829
title: Materials Data on K3SbS4 by Materials Project

description: K3SbS4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.79 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 pentagonal pyramids that share corners with seven equivalent KS6 pentagonal pyramids, corners with two equivalent SbS4 tetrahedra, edges with three equivalent KS6 pentagonal pyramids, and edges with two equivalent SbS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.25–3.42 Å. Sb5+ is bonded to four S2- atoms to form SbS4 tetrahedra that share corners with four equivalent KS6 pentagonal pyramids and edges with four equivalent KS6 pentagonal pyramids. There are two shorter (2.37 Å) and two longer (2.38 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four K1+ and one Sb5+ atom to form distorted corner-sharing SK4Sb trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and one Sb5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ and one Sb5+ atom.
DOI: 10.17188/1315830
title: Materials Data on Pr2InAg by Materials Project

description: Pr2AgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent In atoms. All Pr–Ag bond lengths are 3.35 Å. All Pr–In bond lengths are 3.35 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1315831
title: Materials Data on PrFeGe2 by Materials Project

description: PrFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to five equivalent Fe and ten Ge atoms. There are four shorter (3.35 Å) and one longer (3.41 Å) Pr–Fe bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.19–3.31 Å. Fe is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.32–2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Fe atoms.
DOI: 10.17188/1315865
title: Materials Data on Pr2Co12P7 by Materials Project

description: Pr2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent P3- atoms to form distorted PrP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with twelve CoP4 tetrahedra, and faces with two equivalent PrP6 pentagonal pyramids. All Pr–P bond lengths are 2.93 Å. In the second Pr3+ site, Pr3+ is bonded to six equivalent P3- atoms to form distorted PrP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with nine CoP4 tetrahedra, and faces with two equivalent PrP6 pentagonal pyramids. All Pr–P bond lengths are 2.90 Å. There are four inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent PrP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three PrP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.28–2.31 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent PrP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three PrP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.37 Å. In the third Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four PrP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one PrP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.12–2.30 Å. In the fourth Co+1.25+ site, Co+1.25+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.56 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Pr3+ and seven Co+1.25+ atoms. In the second P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.25+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Pr3+ and seven Co+1.25+ atoms.
DOI: 10.17188/1315866
title: Materials Data on Sn5O6 by Materials Project

description: (SnO)2Sn3O4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sn3O4 sheet oriented in the (0, 0, 1) direction and one SnO sheet oriented in the (0, 0, 1) direction. In the Sn3O4 sheet, there are two inequivalent Sn+2.40+ sites. In the first Sn+2.40+ site, Sn+2.40+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.14 Å) Sn–O bond lengths. In the second Sn+2.40+ site, Sn+2.40+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sn–O bond distances ranging from 2.10–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.40+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.40+ atoms. In the SnO sheet, Sn+2.40+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.16 Å. O2- is bonded in a trigonal planar geometry to three equivalent Sn+2.40+ atoms.
DOI: 10.17188/1315867
title: Materials Data on KAg3Se2 by Materials Project

description: KAg3Se2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded to seven Se2- atoms to form a mixture of distorted edge and face-sharing KSe7 pentagonal bipyramids. There are a spread of K–Se bond distances ranging from 3.41–3.72 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.71 Å) and one longer (2.77 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted bent 120 degrees geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.64–3.22 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.63 Å) and two longer (2.77 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent K1+ and four Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 9-coordinate geometry to three equivalent K1+ and six Ag1+ atoms.
DOI: 10.17188/1315869
title: Materials Data on Ce2Zn17 by Materials Project

description: Ce2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.09–3.40 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.16–3.48 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two Ce and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.96 Å. In the second Zn site, Zn is bonded to two equivalent Ce and ten Zn atoms to form ZnCe2Zn10 cuboctahedra that share corners with twenty-two ZnCe2Zn10 cuboctahedra, edges with ten ZnCe3Zn9 cuboctahedra, and faces with eighteen ZnCe2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 2-coordinate geometry to one Ce and thirteen Zn atoms. There are one shorter (2.63 Å) and three longer (2.88 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to three Ce and nine Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnCe3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.55 Å.
DOI: 10.17188/1315870
title: Materials Data on Ce3(SiRh)2 by Materials Project

description: Ce3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.00–3.29 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (2.91 Å) and two longer (3.11 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.03–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to eight Ce and four equivalent Rh atoms to form a mixture of distorted edge, corner, and face-sharing SiCe8Rh4 cuboctahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ce and two equivalent Rh atoms.
DOI: 10.17188/1315871
title: Materials Data on La3Ag by Materials Project

description: La3Ag crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Ag atoms. There are two shorter (3.35 Å) and two longer (3.63 Å) La–Ag bond lengths. Ag is bonded to twelve equivalent La atoms to form a mixture of corner and face-sharing AgLa12 cuboctahedra.
DOI: 10.17188/1315872
title: Materials Data on MgTi3 by Materials Project

description: MgTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve Ti atoms to form MgTi12 cuboctahedra that share corners with six equivalent MgTi12 cuboctahedra, corners with twelve equivalent TiMg4Ti8 cuboctahedra, edges with eighteen TiMg4Ti8 cuboctahedra, faces with eight equivalent MgTi12 cuboctahedra, and faces with twelve TiMg4Ti8 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.96 Å) Mg–Ti bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Mg and eight Ti atoms to form TiMg4Ti8 cuboctahedra that share corners with four equivalent MgTi12 cuboctahedra, corners with fourteen equivalent TiMg4Ti8 cuboctahedra, edges with six equivalent MgTi12 cuboctahedra, edges with twelve TiMg4Ti8 cuboctahedra, faces with four equivalent MgTi12 cuboctahedra, and faces with sixteen TiMg4Ti8 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.92–2.98 Å. In the second Ti site, Ti is bonded to four equivalent Mg and eight equivalent Ti atoms to form TiMg4Ti8 cuboctahedra that share corners with four equivalent MgTi12 cuboctahedra, corners with fourteen TiMg4Ti8 cuboctahedra, edges with six equivalent MgTi12 cuboctahedra, edges with twelve equivalent TiMg4Ti8 cuboctahedra, faces with four equivalent MgTi12 cuboctahedra, and faces with sixteen TiMg4Ti8 cuboctahedra.
DOI: 10.17188/1315873
title: Materials Data on MgSn3 by Materials Project

description: MgSn3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Sn atoms to form MgSn12 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg4Sn8 cuboctahedra, edges with eighteen equivalent SnMg4Sn8 cuboctahedra, faces with eight equivalent MgSn12 cuboctahedra, and faces with twelve equivalent SnMg4Sn8 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.36 Å) Mg–Sn bond lengths. Sn is bonded to four equivalent Mg and eight equivalent Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with four equivalent MgSn12 cuboctahedra, corners with fourteen equivalent SnMg4Sn8 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, edges with twelve equivalent SnMg4Sn8 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with sixteen equivalent SnMg4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.27–3.38 Å.
DOI: 10.17188/1315874
title: Materials Data on MgTa by Materials Project

description: MgTa is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Ta atoms to form MgMg4Ta8 cuboctahedra that share corners with eight equivalent TaMg8Ta4 cuboctahedra, corners with ten equivalent MgMg4Ta8 cuboctahedra, edges with six equivalent MgMg4Ta8 cuboctahedra, edges with twelve equivalent TaMg8Ta4 cuboctahedra, faces with eight equivalent TaMg8Ta4 cuboctahedra, and faces with twelve equivalent MgMg4Ta8 cuboctahedra. There are two shorter (2.86 Å) and two longer (2.90 Å) Mg–Mg bond lengths. There are a spread of Mg–Ta bond distances ranging from 3.01–3.22 Å. Ta is bonded to eight equivalent Mg and four equivalent Ta atoms to form TaMg8Ta4 cuboctahedra that share corners with eight equivalent MgMg4Ta8 cuboctahedra, corners with ten equivalent TaMg8Ta4 cuboctahedra, edges with six equivalent TaMg8Ta4 cuboctahedra, edges with twelve equivalent MgMg4Ta8 cuboctahedra, faces with eight equivalent MgMg4Ta8 cuboctahedra, and faces with twelve equivalent TaMg8Ta4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.86 Å) Ta–Ta bond lengths.
DOI: 10.17188/1315875
title: Materials Data on Mg2As by Materials Project

description: Mg2As crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg2As sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a water-like geometry to two equivalent As atoms. Both Mg–As bond lengths are 2.69 Å. In the second Mg site, Mg is bonded to four equivalent As atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. There are two shorter (2.63 Å) and two longer (2.73 Å) Mg–As bond lengths. As is bonded to six Mg atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedral tilt angles are 59°.
DOI: 10.17188/1315876
title: Materials Data on Mg2Bi by Materials Project

description: BiMg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are one shorter (3.06 Å) and two longer (3.15 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.24–3.31 Å. Bi is bonded in a 8-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1315877
title: Materials Data on MnBe2Co by Materials Project

description: Be2MnCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Co atoms. All Be–Mn bond lengths are 2.30 Å. All Be–Co bond lengths are 2.30 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Be and six equivalent Co atoms. All Mn–Co bond lengths are 2.65 Å. Co is bonded in a distorted body-centered cubic geometry to eight equivalent Be and six equivalent Mn atoms.
DOI: 10.17188/1315878
title: Materials Data on MgTl3 by Materials Project

description: MgTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tl atoms to form MgTl12 cuboctahedra that share corners with six equivalent MgTl12 cuboctahedra, corners with twelve equivalent TlMg4Tl8 cuboctahedra, edges with eighteen equivalent TlMg4Tl8 cuboctahedra, faces with eight equivalent MgTl12 cuboctahedra, and faces with twelve equivalent TlMg4Tl8 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.44 Å) Mg–Tl bond lengths. Tl is bonded to four equivalent Mg and eight equivalent Tl atoms to form distorted TlMg4Tl8 cuboctahedra that share corners with four equivalent MgTl12 cuboctahedra, corners with fourteen equivalent TlMg4Tl8 cuboctahedra, edges with six equivalent MgTl12 cuboctahedra, edges with twelve equivalent TlMg4Tl8 cuboctahedra, faces with four equivalent MgTl12 cuboctahedra, and faces with sixteen equivalent TlMg4Tl8 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.40–3.48 Å.
DOI: 10.17188/1315879
title: Materials Data on MgU by Materials Project

description: MgU crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent U atoms to form distorted MgMg4U8 cuboctahedra that share corners with eight equivalent UMg8U4 cuboctahedra, corners with ten equivalent MgMg4U8 cuboctahedra, edges with six equivalent MgMg4U8 cuboctahedra, edges with twelve equivalent UMg8U4 cuboctahedra, faces with eight equivalent UMg8U4 cuboctahedra, and faces with twelve equivalent MgMg4U8 cuboctahedra. There are two shorter (2.80 Å) and two longer (2.81 Å) Mg–Mg bond lengths. There are a spread of Mg–U bond distances ranging from 3.24–3.56 Å. U is bonded to eight equivalent Mg and four equivalent U atoms to form distorted UMg8U4 cuboctahedra that share corners with eight equivalent MgMg4U8 cuboctahedra, corners with ten equivalent UMg8U4 cuboctahedra, edges with six equivalent UMg8U4 cuboctahedra, edges with twelve equivalent MgMg4U8 cuboctahedra, faces with eight equivalent MgMg4U8 cuboctahedra, and faces with twelve equivalent UMg8U4 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.80 Å) U–U bond lengths.
DOI: 10.17188/1315880
title: Materials Data on MgW3 by Materials Project

description: W3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent W atoms to form a mixture of face and corner-sharing MgW12 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.95 Å) Mg–W bond lengths. W is bonded in a 4-coordinate geometry to four equivalent Mg atoms.
DOI: 10.17188/1315881
title: Materials Data on Mg2ZnPd by Materials Project

description: Mg2PdZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Zn atoms. All Mg–Pd bond lengths are 2.80 Å. All Mg–Zn bond lengths are 2.80 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315882
title: Materials Data on Mg2ZnRh by Materials Project

description: Mg2RhZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Zn atoms. All Mg–Rh bond lengths are 2.76 Å. All Mg–Zn bond lengths are 2.76 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315883
title: Materials Data on MgZn by Materials Project

description: MgZn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.87–3.00 Å. Zn is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315884
title: Materials Data on MgZn2 by Materials Project

description: MgZn2 is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Zn atoms. There are three shorter (3.20 Å) and one longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.05–3.08 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Mg and six equivalent Zn atoms to form a mixture of edge, corner, and face-sharing ZnMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the second Zn site, Zn is bonded to six equivalent Mg and six Zn atoms to form a mixture of edge, corner, and face-sharing ZnMg6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.61 Å.