cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1757139
title: Materials Data on MnNiP2 by Materials Project

description: MnNiP2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded to six P2- atoms to form distorted MnP6 octahedra that share corners with four equivalent MnP6 octahedra, corners with eight equivalent NiP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent NiP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Mn–P bond distances ranging from 2.21–2.34 Å. Ni2+ is bonded to six P2- atoms to form distorted NiP6 octahedra that share corners with four equivalent NiP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with two equivalent NiP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Ni–P bond distances ranging from 2.27–2.42 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four equivalent Ni2+ atoms. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Mn2+ and two equivalent Ni2+ atoms.
DOI: 10.17188/1757140
title: Materials Data on TiS2 by Materials Project

description: TiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to four S2- atoms to form corner-sharing TiS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.26 Å) and one longer (2.45 Å) Ti–S bond lengths. In the second Ti4+ site, Ti4+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with three equivalent TiS4 tetrahedra and edges with four equivalent TiS6 octahedra. There are a spread of Ti–S bond distances ranging from 2.28–2.61 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ti4+ atoms. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to four Ti4+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to three Ti4+ atoms.
DOI: 10.17188/1757141
title: Materials Data on CoRe(PbO3)2 by Materials Project

description: ReCo(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.92 Å. Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 2.10 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ReO6 octahedra, and faces with four equivalent CoO6 octahedra. All Pb–O bond lengths are 2.85 Å. O2- is bonded in a distorted linear geometry to one Re6+, one Co2+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1757143
title: Materials Data on Li2Ti3FeO8 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: 10.17188/1757144
title: Materials Data on FeHO2 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: 10.17188/1757145
title: Materials Data on CsSe4 by Materials Project

description: CsSe4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Se+0.25- atoms. There are a spread of Cs–Se bond distances ranging from 3.67–4.21 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Se+0.25- atoms. There are a spread of Cs–Se bond distances ranging from 3.73–4.23 Å. In the third Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Se+0.25- atoms. There are a spread of Cs–Se bond distances ranging from 3.70–4.25 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Se+0.25- atoms. There are a spread of Cs–Se bond distances ranging from 3.65–4.35 Å. There are nine inequivalent Se+0.25- sites. In the first Se+0.25- site, Se+0.25- is bonded in a 5-coordinate geometry to three Cs1+ and two Se+0.25- atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Se–Se bond lengths. In the second Se+0.25- site, Se+0.25- is bonded to two equivalent Cs1+ and four Se+0.25- atoms to form corner-sharing SeCs2Se4 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.52 Å) and two longer (2.92 Å) Se–Se bond lengths. In the third Se+0.25- site, Se+0.25- is bonded in a 6-coordinate geometry to three Cs1+ and three Se+0.25- atoms. There are one shorter (2.37 Å) and one longer (3.38 Å) Se–Se bond lengths. In the fourth Se+0.25- site, Se+0.25- is bonded in a 6-coordinate geometry to four Cs1+ and two Se+0.25- atoms. The Se–Se bond length is 3.07 Å. In the fifth Se+0.25- site, Se+0.25- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and two equivalent Se+0.25- atoms. Both Se–Se bond lengths are 2.39 Å. In the sixth Se+0.25- site, Se+0.25- is bonded in a 3-coordinate geometry to three Cs1+ and two Se+0.25- atoms. The Se–Se bond length is 2.41 Å. In the seventh Se+0.25- site, Se+0.25- is bonded in a 5-coordinate geometry to two Cs1+ and three Se+0.25- atoms. The Se–Se bond length is 2.42 Å. In the eighth Se+0.25- site, Se+0.25- is bonded in a 4-coordinate geometry to two Cs1+ and two Se+0.25- atoms. In the ninth Se+0.25- site, Se+0.25- is bonded in a 2-coordinate geometry to two Cs1+ and three Se+0.25- atoms.
DOI: 10.17188/1757146
title: Materials Data on HfMg6C by Materials Project

description: Mg6HfC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to six Mg and one C atom. There are a spread of Mg–Mg bond distances ranging from 2.92–3.47 Å. The Mg–C bond length is 2.17 Å. In the second Mg site, Mg is bonded in a single-bond geometry to six Mg and one C atom. There are two shorter (3.06 Å) and four longer (3.30 Å) Mg–Mg bond lengths. The Mg–C bond length is 2.14 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to nine Mg and two equivalent Hf atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.33 Å. There are one shorter (3.16 Å) and one longer (3.33 Å) Mg–Hf bond lengths. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. Hf is bonded in a linear geometry to four equivalent Mg and two equivalent C atoms. Both Hf–C bond lengths are 2.24 Å. C is bonded to three Mg and two equivalent Hf atoms to form corner-sharing CHf2Mg3 square pyramids.
DOI: 10.17188/1757147
title: Materials Data on MnSeO4 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: 10.17188/1757148
title: Materials Data on SbIrXeF12 by Materials Project

description: XeIrSbF12 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four XeIrSbF12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.00 Å) and one longer (2.30 Å) Xe–F bond lengths. Ir is bonded to six F atoms to form IrF6 octahedra that share a cornercorner with one SbF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ir–F bond distances ranging from 1.87–2.03 Å. Sb is bonded to six F atoms to form SbF6 octahedra that share a cornercorner with one IrF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are five shorter (1.90 Å) and one longer (2.14 Å) Sb–F bond lengths. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Xe and one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to one Ir and one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Ir atom. In the tenth F site, F is bonded in a single-bond geometry to one Ir atom. In the eleventh F site, F is bonded in a single-bond geometry to one Ir atom. In the twelfth F site, F is bonded in a single-bond geometry to one Ir atom.
DOI: 10.6084/m9.figshare.13710127
title: NWI Wetland Boundaries

description: NWI Wetlands<br>
DOI: 10.17188/1757149
title: Materials Data on Fe(SbO3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1757150
title: Materials Data on LiCrP2O7 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: 10.6084/m9.figshare.13710127.v1
title: NWI Wetland Boundaries

description: NWI Wetlands<br>
DOI: 10.17188/1757153
title: Materials Data on Ce2SeS by Materials Project

description: Ce2SeS is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Se and two equivalent S atoms to form a mixture of edge and corner-sharing CeSe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Se bond lengths are 2.91 Å. Both Ce–S bond lengths are 2.91 Å. In the second Ce site, Ce is bonded to two equivalent Se and four equivalent S atoms to form CeSe2S4 octahedra that share corners with six equivalent CeSe2S4 octahedra and edges with twelve CeSe4S2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–Se bond lengths are 2.91 Å. All Ce–S bond lengths are 2.91 Å. Se is bonded to six Ce atoms to form SeCe6 octahedra that share corners with six equivalent SeCe6 octahedra, edges with four equivalent SeCe6 octahedra, and edges with eight equivalent SCe6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six Ce atoms to form SCe6 octahedra that share corners with six equivalent SCe6 octahedra, edges with four equivalent SCe6 octahedra, and edges with eight equivalent SeCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1757154
title: Materials Data on Sr2InOsO6 by Materials Project

description: Sr2OsInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent OsO6 octahedra, and faces with four equivalent InO6 octahedra. All Sr–O bond lengths are 2.90 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent InO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.97 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Os5+, and one In3+ atom.
DOI: 10.17188/1757155
title: Materials Data on Gd2Se3 by Materials Project

description: Gd2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing GdSe7 pentagonal bipyramids. There are a spread of Gd–Se bond distances ranging from 2.91–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.99–3.51 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Gd3+ atoms.
DOI: 10.17188/1757156
title: Materials Data on RbMg6Co by Materials Project

description: RbMg6Co crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. There are a spread of Rb–Mg bond distances ranging from 3.33–4.00 Å. Both Rb–Co bond lengths are 3.71 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Rb, two equivalent Mg, and one Co atom. Both Mg–Mg bond lengths are 3.17 Å. The Mg–Co bond length is 2.57 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Mg and two equivalent Co atoms. All Mg–Mg bond lengths are 3.09 Å. Both Mg–Co bond lengths are 3.27 Å. In the third Mg site, Mg is bonded in a distorted bent 120 degrees geometry to one Rb, two equivalent Mg, and two equivalent Co atoms. Both Mg–Co bond lengths are 2.68 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Co is bonded in a 6-coordinate geometry to two equivalent Rb and eight Mg atoms.
DOI: 10.17188/1757157
title: Materials Data on Li2Si3NiO8 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: 10.17188/1757158
title: Materials Data on La7CoI12 by Materials Project

description: La7CoI12 is trigonal omega-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to one Co and five I atoms to form a mixture of edge and corner-sharing LaCoI5 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. The La–Co bond length is 2.82 Å. There are a spread of La–I bond distances ranging from 3.26–3.50 Å. In the second La site, La is bonded to one Co and five I atoms to form a mixture of edge and corner-sharing LaCoI5 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. The La–Co bond length is 2.81 Å. There are a spread of La–I bond distances ranging from 3.25–3.49 Å. In the third La site, La is bonded to six I atoms to form edge-sharing LaI6 octahedra. There are three shorter (3.20 Å) and three longer (3.27 Å) La–I bond lengths. Co is bonded in an octahedral geometry to six La atoms. There are four inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three La atoms.
DOI: 10.17188/1757159
title: Materials Data on Sm2ZnSb3 by Materials Project

description: (SmSb)2ZnSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, two stibanylidynesamarium molecules, and one zinc molecule.
DOI: 10.17188/1757160
title: Materials Data on CeAl(CuNi)2 by Materials Project

description: CeAl(NiCu)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eight equivalent Ni, seven Cu, and three equivalent Al atoms. There are four shorter (3.22 Å) and four longer (3.28 Å) Ce–Ni bond lengths. There are a spread of Ce–Cu bond distances ranging from 2.94–3.26 Å. There are one shorter (2.95 Å) and two longer (3.00 Å) Ce–Al bond lengths. Ni is bonded to four equivalent Ce, two equivalent Ni, four Cu, and two equivalent Al atoms to form distorted NiCe4Al2Cu4Ni2 cuboctahedra that share corners with eight CuCe3Al3Cu2Ni4 cuboctahedra, corners with twelve equivalent NiCe4Al2Cu4Ni2 cuboctahedra, edges with four equivalent CuCe4Al2Cu2Ni4 cuboctahedra, edges with six equivalent NiCe4Al2Cu4Ni2 cuboctahedra, faces with six equivalent NiCe4Al2Cu4Ni2 cuboctahedra, and faces with ten CuCe3Al3Cu2Ni4 cuboctahedra. There are one shorter (2.58 Å) and one longer (2.60 Å) Ni–Ni bond lengths. There are a spread of Ni–Cu bond distances ranging from 2.48–2.58 Å. Both Ni–Al bond lengths are 2.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Ce, four equivalent Ni, two equivalent Cu, and three equivalent Al atoms to form distorted CuCe3Al3Cu2Ni4 cuboctahedra that share corners with four equivalent CuCe4Al2Cu2Ni4 cuboctahedra, corners with eight equivalent NiCe4Al2Cu4Ni2 cuboctahedra, edges with six equivalent CuCe3Al3Cu2Ni4 cuboctahedra, faces with eight CuCe3Al3Cu2Ni4 cuboctahedra, and faces with twelve equivalent NiCe4Al2Cu4Ni2 cuboctahedra. Both Cu–Cu bond lengths are 2.47 Å. There are two shorter (2.96 Å) and one longer (3.03 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded to four equivalent Ce, four equivalent Ni, two equivalent Cu, and two equivalent Al atoms to form distorted CuCe4Al2Cu2Ni4 cuboctahedra that share corners with eight equivalent NiCe4Al2Cu4Ni2 cuboctahedra, corners with twelve CuCe3Al3Cu2Ni4 cuboctahedra, edges with two equivalent CuCe4Al2Cu2Ni4 cuboctahedra, edges with eight equivalent NiCe4Al2Cu4Ni2 cuboctahedra, faces with eight equivalent NiCe4Al2Cu4Ni2 cuboctahedra, and faces with eight CuCe3Al3Cu2Ni4 cuboctahedra. Both Cu–Al bond lengths are 2.52 Å. Al is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent Ni, and five Cu atoms.
DOI: 10.17188/1757161
title: Materials Data on Cs2Li3I5 by Materials Project

description: Cs2Li3I5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 3.92–3.99 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six I1- atoms to form LiI6 octahedra that share edges with two equivalent LiI6 octahedra and edges with four equivalent LiI4 tetrahedra. There are two shorter (3.11 Å) and four longer (3.17 Å) Li–I bond lengths. In the second Li1+ site, Li1+ is bonded to four I1- atoms to form LiI4 tetrahedra that share corners with three equivalent LiI4 tetrahedra and edges with two equivalent LiI6 octahedra. There are a spread of Li–I bond distances ranging from 2.74–2.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three Li1+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Li1+ atoms.
DOI: 10.17188/1757163
title: Materials Data on Sn2Rh by Materials Project

description: RhSn2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Rh is bonded in a 8-coordinate geometry to eight Sn atoms. There are two shorter (2.79 Å) and six longer (2.81 Å) Rh–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the second Sn site, Sn is bonded to four equivalent Rh atoms to form a mixture of edge and corner-sharing SnRh4 tetrahedra.
DOI: 10.5281/zenodo.4500137
title: Data Archive: Simulated physical properties of snow and ice over the Arctic Ocean

description: The dataset contains model outputs used for generating Figures and Tables in Kang et al. (2021). It consists of model-simulated physical properties of snow and ice over the Arctic Ocean for the period from 1 October to the following 31 March of the 2012–2018 period except for the 2015–2016 period. In this data set, the first two months (October and November) were considered to be related to the spin-up, and the remaining four months of data were used for the analysis. We provide the following two data sets and one description file. • Model-simulated products for the Arctic Ocean on a daily time scale at 25 km grid cells of the NSIDC Sea Ice Polar Stereographic North. • Model-simulated products along five CRREL IMB (i.e. 2012G, 2012H, 2013G, 2014F, and 2014I) trajectories at a three-hourly time scale.
DOI: 10.17188/1757164
title: Materials Data on K7NaGe8 by Materials Project

description: K7NaGe8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of K–Ge bond distances ranging from 3.41–3.68 Å. In the second K site, K is bonded in a distorted octahedral geometry to six equivalent Ge atoms. All K–Ge bond lengths are 3.96 Å. Na is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Na–Ge bond lengths are 2.95 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five K, one Na, and three Ge atoms. There are one shorter (2.57 Å) and two longer (2.66 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent K and three equivalent Ge atoms.