cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1203662
title: Materials Data on Cd3(ClO)2 by Materials Project

description: Cd3(OCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to three equivalent O2- and two equivalent Cl1- atoms. There are a spread of Cd–O bond distances ranging from 2.18–2.27 Å. There are one shorter (2.75 Å) and one longer (2.97 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted corner-sharing CdCl4O2 octahedra. The corner-sharing octahedral tilt angles are 65°. Both Cd–O bond lengths are 2.16 Å. There are two shorter (2.80 Å) and two longer (2.91 Å) Cd–Cl bond lengths. O2- is bonded to four Cd2+ atoms to form a mixture of corner and edge-sharing OCd4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms.
DOI: 10.17188/1203663
title: Materials Data on Ba4Ti13O30 by Materials Project

description: Ba4Ti13O30 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.27 Å. There are five inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are a spread of Ti–O bond distances ranging from 1.83–2.15 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–16°. There are a spread of Ti–O bond distances ranging from 1.89–2.12 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There is two shorter (1.95 Å) and four longer (2.00 Å) Ti–O bond length. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–40°. There are a spread of Ti–O bond distances ranging from 1.88–2.07 Å. In the fifth Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–53°. There are a spread of Ti–O bond distances ranging from 1.81–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to three equivalent Ba2+ and two Ti4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+ and two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and three Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Ti4+ atoms. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ti4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two Ti4+ atoms. In the eighth O2- site, O2- is bonded to one Ba2+ and three Ti4+ atoms to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Ti4+ atoms.
DOI: 10.17188/1203664
title: Materials Data on TeSeO4 by Materials Project

description: TeSeO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one TeSeO4 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.09–2.74 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.05–2.93 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–2.44 Å. In the second Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.56–2.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ and one O2- atom. The O–O bond length is 2.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Se4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+, one Se4+, and one O2- atom. The O–O bond length is 2.56 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Te4+, two Se4+, and three O2- atoms. The O–O bond length is 2.34 Å. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+, one Se4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom.
DOI: 10.17188/1203665
title: Materials Data on Mn3ZnC by Materials Project

description: Mn3ZnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Mn–Zn bond lengths are 2.74 Å. Both Mn–C bond lengths are 1.94 Å. Zn is bonded to twelve equivalent Mn atoms to form ZnMn12 cuboctahedra that share corners with twelve equivalent ZnMn12 cuboctahedra, faces with six equivalent ZnMn12 cuboctahedra, and faces with eight equivalent CMn6 octahedra. C is bonded to six equivalent Mn atoms to form CMn6 octahedra that share corners with six equivalent CMn6 octahedra and faces with eight equivalent ZnMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1203666
title: Materials Data on Ga2CuCl8 by Materials Project

description: Cu(GaCl4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cu(GaCl4)2 clusters. Cu2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.13–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga3+ atom.
DOI: 10.17188/1203667
title: Materials Data on Ba4Ga2S7 by Materials Project

description: Ba4Ga2S7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.15–3.65 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.16–3.78 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.14–3.78 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ba–S bond distances ranging from 3.14–3.34 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.35 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five Ba2+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Ba2+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ga3+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ga3+ atom.
DOI: 10.17188/1203668
title: Materials Data on Ba3(GaS3)2 by Materials Project

description: Ba3Ga2S6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.16–3.49 Å. In the second Ba2+ site, Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with two equivalent BaS7 pentagonal bipyramids, corners with five equivalent GaS4 tetrahedra, edges with four equivalent BaS7 pentagonal bipyramids, and edges with two equivalent GaS4 tetrahedra. There are a spread of Ba–S bond distances ranging from 3.15–3.50 Å. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with five equivalent BaS7 pentagonal bipyramids, edges with two equivalent BaS7 pentagonal bipyramids, and an edgeedge with one GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.26–2.38 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Ba2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ga3+ atom. In the third S2- site, S2- is bonded to four Ba2+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing SBa4Ga trigonal bipyramids.
DOI: 10.17188/1203669
title: Materials Data on Tl4Sn5S12 by Materials Project

description: Tl4Sn5S12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 1-coordinate geometry to one Sn4+ and eight S2- atoms. The Tl–Sn bond length is 3.24 Å. There are a spread of Tl–S bond distances ranging from 2.82–4.07 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 2.86–3.52 Å. In the third Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.56 Å) and one longer (2.94 Å) Tl–S bond lengths. In the fourth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.01–3.77 Å. There are five inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.03–2.99 Å. In the second Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to one Tl1+ and four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.11–3.00 Å. In the third Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sn–S bond distances ranging from 2.06–2.53 Å. In the fourth Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.26–2.52 Å. In the fifth Sn4+ site, Sn4+ is bonded in a distorted square co-planar geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.18–2.53 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one Tl1+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Tl1+ and two Sn4+ atoms. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Tl1+ and two Sn4+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two Tl1+ and one Sn4+ atom. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to one Sn4+ atom. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to three Tl1+ and one Sn4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Tl1+ and one Sn4+ atom. In the eighth S2- site, S2- is bonded in a 2-coordinate geometry to two Tl1+ and two Sn4+ atoms. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn4+ atom. In the tenth S2- site, S2- is bonded in a 3-coordinate geometry to two Tl1+ and two Sn4+ atoms. In the eleventh S2- site, S2- is bonded in a 3-coordinate geometry to one Tl1+ and two Sn4+ atoms. In the twelfth S2- site, S2- is bonded in a 3-coordinate geometry to one Tl1+ and two Sn4+ atoms.
DOI: 10.17188/1203670
title: Materials Data on Y2InCl7 by Materials Project

description: Y2Cl7In crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four indium molecules and two Y2Cl7 sheets oriented in the (0, 0, 1) direction. In each Y2Cl7 sheet, there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.79 Å. In the second Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.74 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms.
DOI: 10.17188/1203672
title: Materials Data on Re2PbO8 by Materials Project

description: Re2PbO8 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Re–O bond distances ranging from 1.73–1.77 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.45 Å) and three longer (2.74 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with six ReO4 tetrahedra. There are three shorter (2.51 Å) and three longer (2.60 Å) Pb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.17188/1203673
title: Materials Data on B5(H2N)2 by Materials Project

description: BN2(BH)4 is Cubic alpha N2-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 13730-91-1 molecules and thirty-two boranediylradical molecules.
DOI: 10.17188/1203674
title: Materials Data on Na5Co2S5 by Materials Project

description: Na5Co2S5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Na–S bond distances ranging from 2.65–2.96 Å. In the second Na1+ site, Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent NaS6 octahedra and corners with eight equivalent CoS4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Na–S bond distances ranging from 2.68–3.01 Å. Co+2.50+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent NaS6 octahedra and edges with two equivalent CoS4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are two shorter (2.18 Å) and two longer (2.19 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five Na1+ and two equivalent Co+2.50+ atoms to form distorted SNa5Co2 pentagonal bipyramids that share corners with three equivalent SNa6 octahedra, corners with five equivalent SNa5Co2 pentagonal bipyramids, edges with five equivalent SNa5Co2 pentagonal bipyramids, a faceface with one SNa6 octahedra, and faces with two equivalent SNa5Co2 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 54–84°. In the second S2- site, S2- is bonded to six Na1+ atoms to form distorted SNa6 octahedra that share corners with two equivalent SNa6 octahedra, corners with twelve equivalent SNa5Co2 pentagonal bipyramids, and faces with four equivalent SNa5Co2 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1203675
title: Materials Data on Si2H6S by Materials Project

description: Si2H6S crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight disilathiane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one S2- atom to form corner-sharing SiH3S tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–S bond length is 2.16 Å. In the second Si site, Si is bonded to three H+0.33+ and one S2- atom to form corner-sharing SiH3S tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–S bond length is 2.16 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. S2- is bonded in a water-like geometry to two Si atoms.
DOI: 10.17188/1203676
title: Materials Data on Li2TiO3 by Materials Project

description: Li2TiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four TiO6 octahedra, edges with four TiO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are a spread of Li–O bond distances ranging from 2.09–2.23 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four TiO6 octahedra, edges with four TiO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are two shorter (2.06 Å) and four longer (2.20 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six TiO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Li–O bond distances ranging from 2.12–2.14 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent TiO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are a spread of Ti–O bond distances ranging from 1.97–1.99 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent TiO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There is four shorter (1.97 Å) and two longer (2.00 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded to four Li1+ and two Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the third O2- site, O2- is bonded to four Li1+ and two Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–9°.
DOI: 10.17188/1203677
title: Materials Data on Si2H6Se by Materials Project

description: Si2H6Se is alpha Np structured and crystallizes in the tetragonal P4_32_12 space group. The structure is zero-dimensional and consists of eight disilaselenane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. In the second Si site, Si is bonded to three H+0.33+ and one Se2- atom to form corner-sharing SiH3Se tetrahedra. All Si–H bond lengths are 1.49 Å. The Si–Se bond length is 2.31 Å. There are six inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. In the sixth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one Si atom. Se2- is bonded in an L-shaped geometry to two Si atoms.