cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1270491
title: Materials Data on Na3Li4Th6F31 by Materials Project

description: Na3Li4Th6F31 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted pentagonal pyramidal geometry to six F1- atoms. There are three shorter (2.30 Å) and three longer (2.32 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.49–2.75 Å. In the third Na1+ site, Na1+ is bonded in an octahedral geometry to six F1- atoms. There are three shorter (2.31 Å) and three longer (2.33 Å) Na–F bond lengths. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.05 Å. In the second Li1+ site, Li1+ is bonded in an octahedral geometry to six F1- atoms. There are three shorter (1.98 Å) and three longer (2.08 Å) Li–F bond lengths. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.60 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.29–2.61 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two Th4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two Th4+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Th4+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two Th4+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Th4+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two Th4+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Th4+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two Th4+ atoms. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+, one Li1+, and two Th4+ atoms. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to one Na1+, two Li1+, and one Th4+ atom.
DOI: 10.17188/1270492
title: Materials Data on Rb2ZrS4 by Materials Project

description: Rb2ZrS4 crystallizes in the orthorhombic Pbca 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 S1- atoms. There are a spread of Rb–S bond distances ranging from 3.39–3.79 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S1- atoms. There are a spread of Rb–S bond distances ranging from 3.23–3.73 Å. Zr2+ is bonded to six S1- atoms to form distorted edge-sharing ZrS6 octahedra. There are a spread of Zr–S bond distances ranging from 2.52–2.61 Å. There are four inequivalent S1- sites. In the first S1- site, S1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Zr2+ atoms. In the second S1- site, S1- is bonded in a 7-coordinate geometry to five Rb1+, one Zr2+, and one S1- atom. The S–S bond length is 2.11 Å. In the third S1- site, S1- is bonded to three equivalent Rb1+ and two equivalent Zr2+ atoms to form a mixture of distorted corner and edge-sharing SRb3Zr2 trigonal bipyramids. In the fourth S1- site, S1- is bonded in a 6-coordinate geometry to four Rb1+, one Zr2+, and one S1- atom.
DOI: 10.17188/1270493
title: Materials Data on Al3Pb5F19 by Materials Project

description: Pb5Al3F19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Al–F bond distances ranging from 1.81–1.85 Å. In the second Al3+ site, Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.82–1.85 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–3.04 Å. In the second Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.33–2.81 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.53 Å) and four longer (2.79 Å) Pb–F bond lengths. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and three Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to four Pb2+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two Pb2+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms.
DOI: 10.17188/1270494
title: Materials Data on KNd(SO4)2 by Materials Project

description: KNd(SO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.27 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.63 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.47 Å) and three longer (1.50 Å) S–O bond length. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Nd3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Nd3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Nd3+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Nd3+, and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Nd3+, and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one S6+ atom.
DOI: 10.17188/1270495
title: Materials Data on ScTaO4 by Materials Project

description: ScTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Sc–O bond distances ranging from 2.10–2.20 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with eight equivalent ScO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Ta–O bond distances ranging from 1.91–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Sc3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Ta5+ atom.
DOI: 10.17188/1270496
title: Materials Data on Ag6GeSO8 by Materials Project

description: Ag6GeSO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag+2.33+ sites. In the first Ag+2.33+ site, Ag+2.33+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (2.21 Å) and two longer (2.60 Å) Ag–O bond lengths. In the second Ag+2.33+ site, Ag+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.45 Å) and two longer (2.60 Å) Ag–O bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ge–O bond lengths are 1.79 Å. S2- is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ag+2.33+ and one S2- atom. In the second O2- site, O2- is bonded to three Ag+2.33+ and one Ge4+ atom to form corner-sharing OAg3Ge tetrahedra.
DOI: 10.17188/1270497
title: Materials Data on K2Hg3S3O10 by Materials Project

description: K2(SO3)3Hg3O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four Hg3O clusters and one K2(SO3)3 framework. In each Hg3O cluster, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.15 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.11 Å. O2- is bonded in a trigonal non-coplanar geometry to three Hg2+ atoms. In the K2(SO3)3 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.40 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.49 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one S4+ atom.
DOI: 10.17188/1270498
title: Materials Data on KMgPO4 by Materials Project

description: KMgPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.99 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.08 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.94–1.98 Å. In the second Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 trigonal bipyramids that share corners with three PO4 tetrahedra, corners with two equivalent MgO5 trigonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.96–2.17 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent MgO4 tetrahedra and a cornercorner with one MgO5 trigonal bipyramid. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MgO4 tetrahedra, corners with two equivalent MgO5 trigonal bipyramids, and an edgeedge with one MgO5 trigonal bipyramid. There is three shorter (1.55 Å) and one longer (1.58 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Mg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Mg2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one P5+ atom. In the fourth O2- site, O2- is bonded to two equivalent K1+, one Mg2+, and one P5+ atom to form distorted corner-sharing OK2MgP tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Mg2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two K1+, one Mg2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Mg2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, two equivalent Mg2+, and one P5+ atom.
DOI: 10.15787/vtt1/bvvxam
title: Trucking Fleet Concept for Operations (CONOPS) for Managing Mixed Fleets

description: Project Description: The CONOPS is a living, comprehensive document that describes the ADS characteristics from the viewpoint of the truck fleets that will use ADS technology. the CONOPS includes eight key sections: 1) Installation and Maintenance Guide for Fleets, 2) Inspection Procedures, 3. Driver State Monitoring Technology and Protocol, 4) Motor Carrier Guide to Insuring Advanced Driver Assistance Systems (ADAS)/Automated Driving Systems (ADS)-Equipped Trucks, 5) Identification of Safety Metrics/Variables, 6) Road Readiness Rating System, 7) Data Security/Transfer Protocol, and 8) Cybersecurity Best Practices. The overarching goals of the project are to: (1) demonstrate the safe integration of ADAS/ADS-equipped trucks into the U.S. on-road transportation system; (2) provide the USDOT data for safety analysis and rulemakings to help modernize regulations; and (3) demonstrate how to integrate ADAS/ADS-equipped trucks in a productive, cooperative way into the existing road freight ecosystem. A more detailed description can be found at: https://www.transportation.gov/sites/dot.gov/files/docs/policy-initiatives/automated-vehicles/351301/23-virginia-tech-transportation-institute.pdf Data Scope: Data from the CONOPS will include qualitative data from the CONOPS roadshows. The CONOPS roadshows include qualitative surveys that gauge perceptions and acceptance of ADAS/ADS technologies. Data from the operations and site-specific data from the in situ demonstrations of ASAS/ADS-equipped trucks will include (a) the data generated from the operation of the ADAS/ADS trucks (including video, kinematic, radar, GPS, and other sensors), and (b) driver monitoring data. Data includes the following ADAS/ADS demonstrations in (1) Truck Queuing, (2) Yard-to-Exit, and (3) Exit-to-Exit.
DOI: 10.17188/1270499
title: Materials Data on Ag(Bi2S3)3 by Materials Project

description: Ag(Bi2S3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with two equivalent BiS6 octahedra, corners with four equivalent BiS5 square pyramids, edges with two equivalent AgS6 octahedra, and edges with six equivalent BiS5 square pyramids. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.51 Å) and four longer (2.98 Å) Ag–S bond lengths. There are three inequivalent Bi+2.83+ sites. In the first Bi+2.83+ site, Bi+2.83+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing BiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Bi–S bond distances ranging from 2.75–2.95 Å. In the second Bi+2.83+ site, Bi+2.83+ is bonded to six S2- atoms to form BiS6 octahedra that share a cornercorner with one AgS6 octahedra, corners with three BiS6 octahedra, corners with two equivalent BiS5 square pyramids, and edges with seven BiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. There are a spread of Bi–S bond distances ranging from 2.68–3.10 Å. In the third Bi+2.83+ site, Bi+2.83+ is bonded to five S2- atoms to form BiS5 square pyramids that share corners with two equivalent AgS6 octahedra, corners with two equivalent BiS6 octahedra, edges with three equivalent AgS6 octahedra, and edges with four equivalent BiS5 square pyramids. The corner-sharing octahedra tilt angles range from 13–64°. There are one shorter (2.61 Å) and four longer (2.85 Å) Bi–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to five Bi+2.83+ atoms to form SBi5 square pyramids that share corners with two equivalent SBi6 octahedra, corners with two equivalent SAgBi3 tetrahedra, edges with three equivalent SBi6 octahedra, and edges with four equivalent SBi5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the second S2- site, S2- is bonded to one Ag1+ and three Bi+2.83+ atoms to form distorted SAgBi3 tetrahedra that share a cornercorner with one SBi6 octahedra, corners with six SBi5 square pyramids, corners with three equivalent SAgBi3 tetrahedra, and edges with three equivalent SAg2Bi3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Bi+2.83+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Ag1+ and three equivalent Bi+2.83+ atoms to form distorted SAg2Bi3 square pyramids that share corners with two equivalent SAg2Bi3 square pyramids, corners with four equivalent SAgBi3 tetrahedra, edges with five equivalent SAg2Bi3 square pyramids, and edges with three equivalent SAgBi3 tetrahedra. In the fifth S2- site, S2- is bonded to six Bi+2.83+ atoms to form SBi6 octahedra that share corners with four equivalent SBi5 square pyramids, corners with two equivalent SAgBi3 tetrahedra, edges with two equivalent SBi6 octahedra, and edges with six equivalent SBi5 square pyramids.
DOI: 10.17188/1270500
title: Materials Data on VF5 (SG:62) 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: 10.17188/1270501
title: Materials Data on BiPO4 by Materials Project

description: BiPO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.37–2.84 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi3+ and one P5+ atom.
DOI: 10.17188/1270503
title: Materials Data on K2Pr4Cl9O2 by Materials Project

description: K2Pr4O2Cl9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of K–Cl bond distances ranging from 3.03–3.43 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent O and six Cl atoms. Both Pr–O bond lengths are 2.40 Å. There are a spread of Pr–Cl bond distances ranging from 2.90–3.13 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent O and seven Cl atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Pr–O bond lengths. There are a spread of Pr–Cl bond distances ranging from 2.90–3.32 Å. In the third Pr site, Pr is bonded in a 8-coordinate geometry to two equivalent O and six Cl atoms. Both Pr–O bond lengths are 2.40 Å. There are a spread of Pr–Cl bond distances ranging from 2.90–3.17 Å. O is bonded to four Pr atoms to form OPr4 tetrahedra that share corners with six ClK2Pr2 trigonal pyramids, edges with two equivalent OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded to two equivalent K and two Pr atoms to form distorted ClK2Pr2 trigonal pyramids that share corners with two equivalent OPr4 tetrahedra, corners with three ClK2Pr2 trigonal pyramids, an edgeedge with one OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. In the second Cl site, Cl is bonded to one K and three Pr atoms to form distorted ClKPr3 trigonal pyramids that share corners with four equivalent OPr4 tetrahedra, corners with three ClK2Pr2 trigonal pyramids, an edgeedge with one OPr4 tetrahedra, and edges with two ClK2Pr2 trigonal pyramids. In the third Cl site, Cl is bonded in a 3-coordinate geometry to three Pr atoms. In the fourth Cl site, Cl is bonded in a 6-coordinate geometry to two equivalent K and four Pr atoms. In the fifth Cl site, Cl is bonded in a distorted linear geometry to two Pr atoms. In the sixth Cl site, Cl is bonded in a 5-coordinate geometry to three Pr atoms.
DOI: 10.17188/1270504
title: Materials Data on CsGeB3O7 by Materials Project

description: CsB3GeO7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.66 Å. There are three inequivalent B3+ sites. In the first 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 1.36–1.41 Å. 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 1.36–1.40 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra. There is three shorter (1.48 Å) and one longer (1.50 Å) B–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+, one B3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one B3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cs1+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one B3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one B3+, and one Ge4+ atom.