cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1271925
title: Materials Data on AsCSF11 by Materials Project

description: CF3AsF6SF2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules, four sulfur difluoride molecules, and four AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.82 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1271926
title: Materials Data on Pb13(Cl3O5)2 by Materials Project

description: Pb13(O5Cl3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.20 Å) and one longer (2.24 Å) Pb–O bond lengths. There are one shorter (2.82 Å) and one longer (3.26 Å) Pb–Cl bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two O2- and four Cl1- atoms. There are one shorter (2.24 Å) and one longer (2.28 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 2.95–3.50 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- and three Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.32 Å. There are a spread of Pb–Cl bond distances ranging from 3.25–3.43 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.85 Å. There are one shorter (3.34 Å) and one longer (3.50 Å) Pb–Cl bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.42 Å. There are one shorter (3.50 Å) and one longer (3.57 Å) Pb–Cl bond lengths. In the sixth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- and three Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.54 Å. There are a spread of Pb–Cl bond distances ranging from 3.45–3.57 Å. In the seventh Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.26 Å. There are two shorter (2.99 Å) and two longer (3.45 Å) Pb–Cl bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted body-centered cubic geometry to eight Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to five Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Pb2+ atoms.
DOI: 10.17188/1271927
title: Materials Data on LiCaBO3 by Materials Project

description: LiCaBO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.67 Å. Ca2+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing CaO7 pentagonal bipyramids. There are a spread of Ca–O bond distances ranging from 2.39–2.53 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, three equivalent Ca2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Ca2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Li1+, one Ca2+, and one B3+ atom.
DOI: 10.17188/1271928
title: Materials Data on AlFeF5 (SG:71) 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: 10.17188/1271929
title: Materials Data on Mo5O14 (SG:14) 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: 10.17188/1271930
title: Materials Data on USb3O2F17 by Materials Project

description: USb3O2F17 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two USb3O2F17 ribbons oriented in the (0, 1, 0) direction. U6+ is bonded to two O2- and five F1- atoms to form distorted UO2F5 pentagonal bipyramids that share corners with five SbF6 octahedra. The corner-sharing octahedra tilt angles range from 1–38°. Both U–O bond lengths are 1.77 Å. There are a spread of U–F bond distances ranging from 2.35–2.45 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent UO2F5 pentagonal bipyramids. There are a spread of Sb–F bond distances ranging from 1.88–2.03 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share a cornercorner with one SbF6 octahedra and a cornercorner with one UO2F5 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 28°. There are a spread of Sb–F bond distances ranging from 1.88–2.14 Å. In the third Sb5+ site, Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share a cornercorner with one SbF6 octahedra and corners with two equivalent UO2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 28°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. There are seventeen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one U6+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one U6+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one U6+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the twelfth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Sb5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventeenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.
DOI: 10.17188/1271931
title: Materials Data on TaAgS3 by Materials Project

description: AgTaS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ta–S bond distances ranging from 2.54–2.65 Å. Ag1+ is bonded in a 2-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–3.12 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and two equivalent Ag1+ atoms. In the third S2- site, S2- is bonded to two equivalent Ta5+ and two equivalent Ag1+ atoms to form corner-sharing STa2Ag2 tetrahedra.
DOI: 10.17188/1271932
title: Materials Data on Sr2CuClO2 by Materials Project

description: Sr2CuO2Cl crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent O2- and three equivalent Cl1- atoms. There are two shorter (2.42 Å) and one longer (2.43 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 3.15–3.19 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. O2- is bonded to three equivalent Sr2+ and one Cu1+ atom to form OSr3Cu tetrahedra that share corners with three equivalent ClSr6 octahedra, corners with seven equivalent OSr3Cu tetrahedra, and edges with three equivalent ClSr6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. Cl1- is bonded to six equivalent Sr2+ atoms to form distorted ClSr6 octahedra that share corners with six equivalent OSr3Cu tetrahedra, edges with six equivalent ClSr6 octahedra, and edges with six equivalent OSr3Cu tetrahedra.
DOI: 10.17188/1271933
title: Materials Data on AsCSCl2F9 by Materials Project

description: CF3AsF6SCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules, four sulfur dichloride molecules, and four AsF6 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
DOI: 10.17188/1271934
title: Materials Data on Sr8Si2PtO14 by Materials Project

description: Sr8PtSi2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.97 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.75 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.16 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.64 Å. Pt4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Pt–O bond distances ranging from 2.05–2.12 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 1–53°. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–53°.
DOI: 10.17188/1271935
title: Materials Data on Al2Si2Pb2O9 by Materials Project

description: Al2Pb2Si2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–2.00 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–2.04 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.11 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, two equivalent Pb2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, two equivalent Pb2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two Al3+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pb2+ and two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom.
DOI: 10.17188/1271936
title: Materials Data on SmCuTeS by Materials Project

description: SmCuTeS crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Te2- and four equivalent S2- atoms. There are a spread of Sm–Te bond distances ranging from 3.21–3.47 Å. There are a spread of Sm–S bond distances ranging from 2.83–2.91 Å. Cu1+ is bonded to three equivalent Te2- and one S2- atom to form corner-sharing CuTe3S tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. The Cu–S bond length is 2.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and three equivalent Cu1+ atoms. S2- is bonded to four equivalent Sm3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SSm4Cu trigonal bipyramids.
DOI: 10.17188/1271962
title: Materials Data on Rb2Y(NO3)5 by Materials Project

description: Rb2Y(NO3)5 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.46 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.42 Å. Y3+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Y–O bond distances ranging from 2.41–2.54 Å. There are five inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fifth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.29 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+, one Y3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Y3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+, one Y3+, and one N5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Y3+, and one N5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Y3+, and one N5+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N5+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to two Rb1+ and one N5+ atom.
DOI: 10.17188/1271963
title: Materials Data on Ba3Lu(BO2)9 by Materials Project

description: LuBa3B9O18 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.02 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.75 Å) and three longer (2.91 Å) Ba–O bond lengths. Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.23 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Lu3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one B3+ atom.
DOI: 10.17188/1271964
title: Materials Data on NaLi3GeO4 by Materials Project

description: NaLi3GeO4 is Aluminum carbonitride-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.83 Å. There are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.88–2.20 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.19 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent GeO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are three shorter (1.98 Å) and one longer (2.05 Å) Li–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six LiO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There is three shorter (1.78 Å) and one longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Li1+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Na1+, three Li1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, three Li1+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Na1+, three Li1+, and one Ge4+ atom.