cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1683838
title: Materials Data on Tm2H16S3O20 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: 10.17188/1683839
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.72 Å) and three longer (2.73 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 120 degrees geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1683840
title: Materials Data on ZrGaRh2 by Materials Project

description: ZrRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Zr–Rh bond lengths are 2.75 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.75 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1683841
title: Materials Data on Sr2(GaAu2)3 by Materials Project

description: Sr2(Au2Ga)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to twelve equivalent Au and three equivalent Ga atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.69 Å. All Sr–Ga bond lengths are 3.59 Å. Au is bonded in a 2-coordinate geometry to four equivalent Sr, four equivalent Au, and three equivalent Ga atoms. There are a spread of Au–Au bond distances ranging from 2.92–3.06 Å. There are a spread of Au–Ga bond distances ranging from 2.64–2.85 Å. Ga is bonded in a 6-coordinate geometry to two equivalent Sr and six equivalent Au atoms.
DOI: 10.17188/1683842
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.87–3.11 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.95 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.45 Å. In the second Si site, Si is bonded in a 6-coordinate geometry to three Mg and three Si atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to five Mg and two equivalent Si atoms. In the fourth Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and four Si atoms.
DOI: 10.17188/1683843
title: Materials Data on Rb2As2Pd by Materials Project

description: Rb2PdAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.55 Å) and four longer (3.69 Å) Rb–As bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.59 Å) and four longer (3.86 Å) Rb–As bond lengths. Pd4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.54 Å. As3- is bonded in a 9-coordinate geometry to six Rb1+, two equivalent Pd4+, and one As3- atom. The As–As bond length is 2.43 Å.
DOI: 10.17188/1683844
title: Materials Data on Al2CuSi2O8F by Materials Project

description: CuAl2Si2O8F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with six SiO4 tetrahedra and edges with two AlO5F octahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.51 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- and one F1- atom to form AlO5F octahedra that share corners with two equivalent AlO5F octahedra, corners with four SiO4 tetrahedra, an edgeedge with one AlO5F octahedra, and an edgeedge with one CuO5 square pyramid. The corner-sharing octahedra tilt angles range from 24–34°. There are a spread of Al–O bond distances ranging from 1.77–2.00 Å. The Al–F bond length is 1.83 Å. In the second Al3+ site, Al3+ is bonded to five O2- and one F1- atom to form AlO5F octahedra that share corners with two equivalent AlO5F octahedra, corners with four SiO4 tetrahedra, an edgeedge with one AlO5F octahedra, and an edgeedge with one CuO5 square pyramid. The corner-sharing octahedra tilt angles range from 24–34°. There are a spread of Al–O bond distances ranging from 1.79–1.94 Å. The Al–F bond length is 1.83 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO5F octahedra, corners with three equivalent CuO5 square pyramids, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO5F octahedra, corners with three equivalent CuO5 square pyramids, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu3+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Al3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+, one Al3+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu3+, one Al3+, and one Si4+ atom. F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms.
DOI: 10.17188/1683845
title: Materials Data on K8BiO3 by Materials Project

description: K8BiO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to one Bi and three equivalent O atoms to form a mixture of distorted corner and edge-sharing KBiO3 tetrahedra. The K–Bi bond length is 3.33 Å. All K–O bond lengths are 3.00 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent K atoms. O is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1683846
title: Materials Data on K4NaCl5 by Materials Project

description: K4NaCl5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form KCl6 octahedra that share corners with six KCl6 octahedra, edges with four equivalent NaCl6 octahedra, and edges with eight KCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of K–Cl bond distances ranging from 3.03–3.19 Å. In the second K1+ site, K1+ is bonded to six Cl1- atoms to form KCl6 octahedra that share a cornercorner with one NaCl6 octahedra, corners with five KCl6 octahedra, and edges with twelve KCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of K–Cl bond distances ranging from 3.14–3.25 Å. In the third K1+ site, K1+ is bonded to six Cl1- atoms to form KCl6 octahedra that share corners with six KCl6 octahedra, edges with four equivalent NaCl6 octahedra, and edges with eight KCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of K–Cl bond distances ranging from 3.03–3.19 Å. Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with two equivalent KCl6 octahedra, corners with four equivalent NaCl6 octahedra, edges with four equivalent NaCl6 octahedra, and edges with eight KCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.92 Å) and four longer (3.14 Å) Na–Cl bond lengths. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to five K1+ and one Na1+ atom to form a mixture of corner and edge-sharing ClK5Na octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second Cl1- site, Cl1- is bonded to two K1+ and four equivalent Na1+ atoms to form ClK2Na4 octahedra that share corners with six ClK6 octahedra and edges with twelve ClK5Na octahedra. The corner-sharing octahedral tilt angles are 0°. The Cl–K bond length is 3.03 Å. In the third Cl1- site, Cl1- is bonded to six K1+ atoms to form ClK6 octahedra that share corners with six ClK2Na4 octahedra and edges with twelve ClK5Na octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fourth Cl1- site, Cl1- is bonded to two equivalent K1+ and four equivalent Na1+ atoms to form a mixture of corner and edge-sharing ClK2Na4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cl–Na bond lengths are 3.14 Å. In the fifth Cl1- site, Cl1- is bonded to six K1+ atoms to form ClK6 octahedra that share corners with six ClK2Na4 octahedra and edges with twelve ClK6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Cl–K bond distances ranging from 3.14–3.19 Å.
DOI: 10.17188/1683847
title: Materials Data on NiSn3(ClO)6 by Materials Project

description: NiSn3(OCl)6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ni is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) Ni–O bond length. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four Cl atoms. There are two shorter (2.47 Å) and two longer (2.82 Å) Sn–Cl bond lengths. In the second Sn site, Sn is bonded to four O and two equivalent Cl atoms to form corner-sharing SnCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 15–19°. There are two shorter (2.12 Å) and two longer (2.13 Å) Sn–O bond lengths. Both Sn–Cl bond lengths are 2.42 Å. In the third Sn site, Sn is bonded to six O atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 15–19°. There are a spread of Sn–O bond distances ranging from 2.08–2.13 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Sn and one Cl atom. The O–Cl bond length is 1.65 Å. In the second O site, O is bonded in a T-shaped geometry to one Ni and two Sn atoms. In the third O site, O is bonded in a T-shaped geometry to one Ni and two Sn atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to one Sn and one O atom.
DOI: 10.17188/1683848
title: Materials Data on Ba3CaTa2O9 by Materials Project

description: Ba3CaTa2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with three equivalent CaO6 octahedra, and faces with five equivalent TaO6 octahedra. There are nine shorter (2.99 Å) and three longer (3.07 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent CaO6 octahedra, and faces with six equivalent TaO6 octahedra. There are six shorter (2.95 Å) and six longer (2.99 Å) Ba–O bond lengths. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.29 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three equivalent CaO6 octahedra, corners with three equivalent TaO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (1.94 Å) and three longer (2.12 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ca2+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1683849
title: Materials Data on Na3La by Materials Project

description: Na3La is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent La atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent LaNa12 cuboctahedra, corners with fourteen NaNa8La4 cuboctahedra, edges with six equivalent LaNa12 cuboctahedra, edges with twelve NaNa8La4 cuboctahedra, faces with four equivalent LaNa12 cuboctahedra, and faces with sixteen NaNa8La4 cuboctahedra. There are six shorter (3.62 Å) and two longer (3.92 Å) Na–Na bond lengths. There are two shorter (3.72 Å) and two longer (3.77 Å) Na–La bond lengths. In the second Na site, Na is bonded to eight equivalent Na and four equivalent La atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent LaNa12 cuboctahedra, corners with fourteen NaNa8La4 cuboctahedra, edges with six equivalent LaNa12 cuboctahedra, edges with twelve equivalent NaNa8La4 cuboctahedra, faces with four equivalent LaNa12 cuboctahedra, and faces with sixteen NaNa8La4 cuboctahedra. There are two shorter (3.72 Å) and two longer (3.77 Å) Na–La bond lengths. In the third Na site, Na is bonded to eight equivalent Na and four equivalent La atoms to form distorted NaNa8La4 cuboctahedra that share corners with four equivalent LaNa12 cuboctahedra, corners with fourteen NaNa8La4 cuboctahedra, edges with six equivalent LaNa12 cuboctahedra, edges with twelve equivalent NaNa8La4 cuboctahedra, faces with four equivalent LaNa12 cuboctahedra, and faces with sixteen NaNa8La4 cuboctahedra. There are two shorter (3.72 Å) and two longer (3.77 Å) Na–La bond lengths. La is bonded to twelve Na atoms to form LaNa12 cuboctahedra that share corners with six equivalent LaNa12 cuboctahedra, corners with twelve NaNa8La4 cuboctahedra, edges with eighteen NaNa8La4 cuboctahedra, faces with eight equivalent LaNa12 cuboctahedra, and faces with twelve NaNa8La4 cuboctahedra.
DOI: 10.17188/1683850
title: Materials Data on SrPd3 by Materials Project

description: Pd3Sr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing SrPd12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.13 Å) Sr–Pd bond lengths. Pd is bonded in a 4-coordinate geometry to four equivalent Sr atoms.
DOI: 10.17188/1683851
title: Materials Data on LiFeF3 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: 10.17188/1683852
title: Materials Data on MgSnO6 by Materials Project

description: MgSnO6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.02 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.07 Å. O is bonded in a linear geometry to one Mg and one Sn atom.
DOI: 10.17188/1683853
title: Materials Data on NaLaTa2O9 by Materials Project

description: NaLaTa2O9 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two NaLaTa2O9 sheets oriented in the (0, 0, 1) direction. Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.22–2.38 Å. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with four equivalent TaO6 octahedra. There are a spread of La–O bond distances ranging from 2.68–2.79 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to six O atoms to form distorted TaO6 octahedra that share corners with four equivalent TaO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Ta–O bond distances ranging from 1.82–2.24 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ta–O bond distances ranging from 1.81–2.26 Å. There are nine inequivalent O sites. In the first O site, O is bonded to four equivalent La and two Ta atoms to form a mixture of corner and edge-sharing OLa4Ta2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded in a distorted linear geometry to one Na and one Ta atom. In the third O site, O is bonded in a single-bond geometry to one Ta atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent La and two equivalent Ta atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Ta atoms. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent La and two equivalent Ta atoms. In the seventh O site, O is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Ta atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms.
DOI: 10.17188/1683854
title: Materials Data on NaCoF4 by Materials Project

description: NaCoF4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent NaF6 octahedra, corners with four equivalent CoF6 octahedra, and edges with two equivalent CoF6 octahedra. The corner-sharing octahedra tilt angles range from 42–68°. There are a spread of Na–F bond distances ranging from 2.26–2.44 Å. Co3+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with four equivalent NaF6 octahedra, corners with four equivalent CoF6 octahedra, and edges with two equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of Co–F bond distances ranging from 1.83–2.05 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Co3+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Co3+ atoms.
DOI: 10.17188/1683855
title: Materials Data on LiFe3P3O11 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: 10.17188/1683856
title: Materials Data on Pu2Sn3 by Materials Project

description: Pu2Sn3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to three equivalent Pu and eight Sn atoms. There are one shorter (3.21 Å) and two longer (3.49 Å) Pu–Pu bond lengths. There are a spread of Pu–Sn bond distances ranging from 3.21–3.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five equivalent Pu and five Sn atoms. There are four shorter (3.16 Å) and one longer (3.21 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Pu and four equivalent Sn atoms.
DOI: 10.17188/1683857
title: Materials Data on Th3Pt5 by Materials Project

description: Th3Pt5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to six Pt atoms. There are two shorter (2.82 Å) and four longer (3.01 Å) Th–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a trigonal planar geometry to three equivalent Th atoms. In the second Pt site, Pt is bonded in a 10-coordinate geometry to four equivalent Th atoms.
DOI: 10.17188/1683859
title: Materials Data on Tm2(GePt3)3 by Materials Project

description: Tm2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Tm–Pt bond distances ranging from 2.96–3.20 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Tm3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.71 Å. In the second Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and two Ge4+ atoms. There are one shorter (2.46 Å) and one longer (2.48 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Tm3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.73 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Tm3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.47 Å. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.61–2.93 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms.