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DOE OSTI2020

Materials Data on Cs2U(PtSe2)3 by Materials Project

Cs2Pt3USe6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.58 Å) and four longer (3.59 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.82–4.26 Å. U6+ is bonded in a distorted pentagonal pyramidal geometry to six Se2- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) U–Se bond lengths. There are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.50 Å) and two longer (2.51 Å) Pt–Se bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.49 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three Cs1+, one U6+, and two Pt+1.33+ atoms. In the second Se2- site, Se2- is bonded to three Cs1+, one U6+, and two equivalent Pt+1.33+ atoms to form a mixture of distorted face, edge, and corner-sharing SeCs3UPt2 octahedra. The corner-sharing octahedra tilt angles range from 28–82°.

36 MATERIALS SCIENCE↗
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Materials Data on Te4Pt3 by Materials Project

Pt3Te4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Pt3Te4 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Pt+2.67+ sites. In the first Pt+2.67+ site, Pt+2.67+ is bonded in a 3-coordinate geometry to three Te2- atoms. There are two shorter (2.58 Å) and one longer (2.74 Å) Pt–Te bond lengths. In the second Pt+2.67+ site, Pt+2.67+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Pt–Te bond lengths are 2.57 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two Pt+2.67+ atoms. In the second Te2- site, Te2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pt+2.67+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CaGe2Pt by Materials Project

CaPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 10-coordinate geometry to four equivalent Pt and ten Ge atoms. All Ca–Pt bond lengths are 3.29 Å. There are a spread of Ca–Ge bond distances ranging from 3.30–3.47 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to six equivalent Pt and nine Ge atoms. All Ca–Pt bond lengths are 3.28 Å. There are a spread of Ca–Ge bond distances ranging from 3.05–3.51 Å. Pt is bonded in a 10-coordinate geometry to five Ca and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Ca and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ca, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Ca, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2FeP3Pt7 by Materials Project

Eu2FePt7P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.10–3.46 Å. Fe3+ is bonded to twelve Pt2- atoms to form FePt12 cuboctahedra that share corners with four equivalent FePt12 cuboctahedra, faces with four equivalent FePt12 cuboctahedra, and faces with four equivalent PtFe4Pt8 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.89 Å) Fe–Pt bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu2+, two equivalent Fe3+, six Pt2-, and two equivalent P+2.33+ atoms. There are two shorter (2.79 Å) and four longer (2.89 Å) Pt–Pt bond lengths. Both Pt–P bond lengths are 2.44 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu2+, two equivalent Fe3+, six Pt2-, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.79 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Eu2+ and three P+2.33+ atoms. There are two shorter (2.35 Å) and one longer (2.36 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded to four equivalent Fe3+ and eight Pt2- atoms to form PtFe4Pt8 cuboctahedra that share corners with four equivalent PtFe4Pt8 cuboctahedra, faces with four equivalent FePt12 cuboctahedra, and faces with four equivalent PtFe4Pt8 cuboctahedra. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba8Ho3(Pt2O9)2 by Materials Project

Ba8Ho3(Pt2O9)2 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.84 Å) and six longer (3.01 Å) Ba–O bond lengths. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with two equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–O bond lengths are 2.21 Å. There are two inequivalent Pt+2.75+ sites. In the first Pt+2.75+ site, Pt+2.75+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.75+ site, Pt+2.75+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ho3+, and one Pt+2.75+ atom. In the second O2- site, O2- is bonded to four equivalent Ba2+, one Ho3+, and one Pt+2.75+ atom to form a mixture of distorted face and corner-sharing OBa4HoPt octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Ba8Lu3(Pt2O9)2 by Materials Project

Ba8Lu3(Pt2O9)2 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.83 Å) and six longer (2.98 Å) Ba–O bond lengths. Lu3+ is bonded to six O2- atoms to form LuO6 octahedra that share corners with two equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.17 Å. There are two inequivalent Pt+2.75+ sites. In the first Pt+2.75+ site, Pt+2.75+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent LuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.75+ site, Pt+2.75+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+, one Lu3+, and one Pt+2.75+ atom to form a mixture of distorted corner and face-sharing OBa4LuPt octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Lu3+, and one Pt+2.75+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGe2Pt by Materials Project

YbPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Yb–Pt bond lengths are 3.24 Å. There are a spread of Yb–Ge bond distances ranging from 3.30–3.42 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Pt and nine Ge atoms. There are four shorter (3.24 Å) and two longer (3.30 Å) Yb–Pt bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.01–3.56 Å. Pt is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Yb and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.42 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Yb, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2MnP3Pt7 by Materials Project

Eu2MnPt7P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.12–3.48 Å. Mn2+ is bonded to twelve Pt2- atoms to form MnPt12 cuboctahedra that share corners with four equivalent MnPt12 cuboctahedra, faces with four equivalent MnPt12 cuboctahedra, and faces with four equivalent PtMn4Pt8 cuboctahedra. There are a spread of Mn–Pt bond distances ranging from 2.82–2.90 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, two equivalent Mn2+, six Pt2-, and two equivalent P+2.33+ atoms. There are two shorter (2.82 Å) and four longer (2.90 Å) Pt–Pt bond lengths. Both Pt–P bond lengths are 2.44 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Eu+2.50+, two equivalent Mn2+, six Pt2-, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.84 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Eu+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.36 Å. In the fourth Pt2- site, Pt2- is bonded to four equivalent Mn2+ and eight Pt2- atoms to form distorted PtMn4Pt8 cuboctahedra that share corners with four equivalent PtMn4Pt8 cuboctahedra, faces with four equivalent MnPt12 cuboctahedra, and faces with four equivalent PtMn4Pt8 cuboctahedra. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt3Cl by Materials Project

Pt3Cl is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded to four Cl1- atoms to form PtCl4 tetrahedra that share corners with twelve equivalent PtCl6 octahedra, corners with sixteen equivalent PtCl4 tetrahedra, edges with six equivalent PtCl4 tetrahedra, and faces with four equivalent PtCl6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–Cl bond lengths are 2.77 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded to six Cl1- atoms to form distorted PtCl6 octahedra that share corners with six equivalent PtCl6 octahedra, corners with twenty-four equivalent PtCl4 tetrahedra, edges with twelve equivalent PtCl6 octahedra, and faces with eight equivalent PtCl4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.19 Å) and two longer (3.21 Å) Pt–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a body-centered cubic geometry to fourteen Pt+0.33+ atoms. In the second Cl1- site, Cl1- is bonded in a body-centered cubic geometry to fourteen Pt+0.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2ScP3Pt7 by Materials Project

Ca2ScPt7P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to nine Pt2- atoms. There are a spread of Ca–Pt bond distances ranging from 3.08–3.49 Å. Sc3+ is bonded to twelve Pt2- atoms to form a mixture of corner and face-sharing ScPt12 cuboctahedra. There are four shorter (2.85 Å) and eight longer (2.88 Å) Sc–Pt bond lengths. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Ca2+, two equivalent Sc3+, six Pt2-, and two equivalent P+2.33+ atoms. There are two shorter (2.85 Å) and four longer (2.88 Å) Pt–Pt bond lengths. Both Pt–P bond lengths are 2.46 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Ca2+, two equivalent Sc3+, six Pt2-, and two equivalent P+2.33+ atoms. Both Pt–Pt bond lengths are 2.88 Å. Both Pt–P bond lengths are 2.43 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Ca2+ and three P+2.33+ atoms. There are one shorter (2.30 Å) and two longer (2.36 Å) Pt–P bond lengths. In the fourth Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ and eight Pt2- atoms. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4Ni3Pt by Materials Project

Ce4PtNi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to one Pt and six Ni atoms. The Ce–Pt bond length is 3.06 Å. There are two shorter (2.87 Å) and four longer (2.88 Å) Ce–Ni bond lengths. In the second Ce site, Ce is bonded in a 7-coordinate geometry to two equivalent Pt and five Ni atoms. Both Ce–Pt bond lengths are 3.09 Å. There are four shorter (2.89 Å) and one longer (2.94 Å) Ce–Ni bond lengths. In the third Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Pt and three Ni atoms. All Ce–Pt bond lengths are 2.89 Å. There are one shorter (3.01 Å) and two longer (3.07 Å) Ce–Ni bond lengths. In the fourth Ce site, Ce is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.88–2.96 Å. Pt is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Pt–Ni bond lengths are 2.87 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to seven Ce and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Ce and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
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Materials Data on PtCl4O5 by Materials Project

PtO3Cl4O2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four molecular oxygen molecules and four PtO3Cl4 clusters. In each PtO3Cl4 cluster, Pt is bonded in a 6-coordinate geometry to two O and four Cl atoms. There are one shorter (1.83 Å) and one longer (2.69 Å) Pt–O bond lengths. There are a spread of Pt–Cl bond distances ranging from 2.27–2.34 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a single-bond geometry to one Pt atom. In the third O site, O is bonded in a single-bond geometry to one O atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Pt atom.

36 MATERIALS SCIENCE↗
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Materials Data on PtBr3N2 by Materials Project

Pt(NBr)2Pt(NBr2)2 is Protactinium structured and crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two Pt(NBr)2 clusters and two Pt(NBr2)2 clusters. In each Pt(NBr)2 cluster, Pt5+ is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.79 Å. Both Pt–Br bond lengths are 2.49 Å. N1- is bonded in a single-bond geometry to one Pt5+ atom. Br1- is bonded in a single-bond geometry to one Pt5+ atom. In each Pt(NBr2)2 cluster, Pt5+ is bonded in an octahedral geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 2.03 Å. All Pt–Br bond lengths are 2.47 Å. N1- is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiPtO2 by Materials Project

LiPtO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–O bond distances ranging from 2.12–2.35 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six PtO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 5–6°. There are two shorter (2.20 Å) and four longer (2.34 Å) Li–O bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six O atoms to form PtO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six PtO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Pt–O bond distances ranging from 2.08–2.18 Å. In the second Pt site, Pt is bonded to six O atoms to form distorted PtO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are four shorter (2.26 Å) and two longer (2.33 Å) Pt–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three Li and three Pt atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to three Li and three Pt atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

36 MATERIALS SCIENCE↗
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Materials Data on Pt2Cl8O7 by Materials Project

Pt2O7Cl8 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pt2O7Cl8 sheets oriented in the (0, 0, 1) direction. Pt is bonded in a distorted octahedral geometry to three O and three Cl atoms. There are a spread of Pt–O bond distances ranging from 2.04–2.08 Å. There are a spread of Pt–Cl bond distances ranging from 2.27–2.56 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both O–O bond lengths are 1.39 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Pt and one Cl atom. The O–Cl bond length is 1.65 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Pt and one Cl atom. The O–Cl bond length is 1.64 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in a water-like geometry to one Pt and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2U(PtSe2)3 by Materials Project

Rb2U(PtSe2)3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.45 Å) and four longer (3.46 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–4.20 Å. U6+ is bonded in a distorted pentagonal pyramidal geometry to six Se2- atoms. There are four shorter (2.84 Å) and two longer (2.87 Å) U–Se bond lengths. There are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–Se bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.50 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Rb1+, one U6+, and two Pt+1.33+ atoms. In the second Se2- site, Se2- is bonded to three Rb1+, one U6+, and two equivalent Pt+1.33+ atoms to form a mixture of distorted corner, edge, and face-sharing SeRb3UPt2 octahedra. The corner-sharing octahedra tilt angles range from 29–78°.

36 MATERIALS SCIENCE↗
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Materials Data on Ca5Pt3 by Materials Project

Ca5Pt3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Ca–Pt bond distances ranging from 3.00–3.44 Å. In the second Ca site, Ca is bonded to four equivalent Pt atoms to form distorted edge-sharing CaPt4 tetrahedra. All Ca–Pt bond lengths are 2.94 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Pt site, Pt is bonded in a 10-coordinate geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
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Materials Data on NdGe2Pt by Materials Project

NdPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Nd–Pt bond lengths are 3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.31–3.45 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Nd–Pt bond lengths are 3.29 Å. There are four shorter (3.06 Å) and four longer (3.09 Å) Nd–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

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