cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262964
title: Materials Data on Ce(IO3)3 by Materials Project

description: Ce(O3I)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.40–2.89 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three I5+ atoms. There are a spread of O–I bond distances ranging from 1.87–2.77 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce3+ and one I5+ atom. The O–I bond length is 1.88 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ce3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ce3+ and one I5+ atom. The O–I bond length is 1.85 Å. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.83 Å) and one longer (2.84 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.86 Å) O–I bond lengths. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and one I5+ atom. The O–I bond length is 1.84 Å. There are three inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the third I5+ site, I5+ is bonded in a 3-coordinate geometry to four O2- atoms.
DOI: 10.17188/1262965
title: Materials Data on GdCuS2 by Materials Project

description: CuGdS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to seven S2- atoms to form distorted GdS7 pentagonal bipyramids that share corners with four equivalent GdS7 pentagonal bipyramids, corners with five equivalent CuS4 tetrahedra, edges with seven equivalent GdS7 pentagonal bipyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Gd–S bond distances ranging from 2.79–3.02 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent GdS7 pentagonal bipyramids, corners with four equivalent CuS4 tetrahedra, edges with four equivalent GdS7 pentagonal bipyramids, and an edgeedge with one CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and three equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one Cu1+ atom.
DOI: 10.17188/1262966
title: Materials Data on Na2Cu3H8(CO2)8 by Materials Project

description: (NaHCO3)2CuH2(CO)2(CuCHO2)2(CHO2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two CHO2 clusters, one CuCHO2 cluster, one CuH2(CO)2 cluster, and two NaHCO3 clusters. In each CHO2 cluster, C+2.25+ is bonded in a 1-coordinate geometry to one H1+ and two O2- atoms. The C–H bond length is 1.63 Å. There is one shorter (1.42 Å) and one longer (2.23 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C+2.25+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.25+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C+2.25+ atom. In the CuCHO2 cluster, Cu+1.33+ is bonded in a 2-coordinate geometry to one C+2.25+ and two O2- atoms. The Cu–C bond length is 1.57 Å. There is one shorter (1.36 Å) and one longer (1.69 Å) Cu–O bond length. C+2.25+ is bonded in a 1-coordinate geometry to one Cu+1.33+, one H1+, and two O2- atoms. The C–H bond length is 0.82 Å. There is one shorter (1.46 Å) and one longer (1.99 Å) C–O bond length. H1+ is bonded in an L-shaped geometry to one C+2.25+ and one O2- atom. The H–O bond length is 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cu+1.33+ and one C+2.25+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cu+1.33+, one C+2.25+, and one H1+ atom. In the CuH2(CO)2 cluster, Cu+1.33+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent C+2.25+ and two equivalent O2- atoms. Both Cu–C bond lengths are 1.63 Å. Both Cu–O bond lengths are 1.79 Å. C+2.25+ is bonded in a 1-coordinate geometry to one Cu+1.33+, one H1+, and one O2- atom. The C–H bond length is 1.40 Å. The C–O bond length is 1.23 Å. H1+ is bonded in a distorted single-bond geometry to one C+2.25+ and one O2- atom. The H–O bond length is 1.07 Å. O2- is bonded in a 2-coordinate geometry to one Cu+1.33+, one C+2.25+, and one H1+ atom. In each NaHCO3 cluster, Na1+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (1.75 Å) and one longer (2.42 Å) Na–O bond lengths. C+2.25+ is bonded in a 3-coordinate geometry to one H1+ and two O2- atoms. The C–H bond length is 0.98 Å. There is one shorter (1.28 Å) and one longer (1.56 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C+2.25+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Na1+ and one C+2.25+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C+2.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Na1+ atom.
DOI: 10.25919/n35g-qp36
title: Parkes observations for project P1056 semester 2020OCTS_04

description: MeerTRAP is a project that performs real-time, commensal searches for fast radio transients using the MeerKAT telescope in South Africa. It has thus far led to the discovery of five new Galactic fast radio transients, most likely Rotating Radio Transient pulsars (RRATs), with modest amounts of time on sky and we expect to discover many more. We have already carried out successful observations of one of these sources with the Parkes UWL receiver (P1056), thus proving its utility in follow-up timing observations of MeerTRAP discoveries. We therefore request search-mode observations of all five sources aswell as provision for another five that we expect to discover before the start of the 2020OCT semester. The Parkes observations will be essential for determining their timing properties, such their as periods and period derivatives, and will elucidate the nature of these sources through their polarisation, emission and spectral properties across the wide bandwidth of the UWLreceiver. This will allow us to identify their place among the known pulsar population and will be highly valuable input to understand the extent of the RRAT population and pulsar emission behaviour.
DOI: 10.17188/1262967
title: Materials Data on Y2Cu2O5 by Materials Project

description: Y2Cu2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.57 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–2.01 Å. In the second Cu2+ site, Cu2+ is bonded in a T-shaped geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (2.06 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and three Cu2+ atoms to form OY2Cu3 trigonal bipyramids that share corners with six OY3Cu tetrahedra, corners with two equivalent OY2Cu3 trigonal bipyramids, and edges with six OY3Cu tetrahedra. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Cu2+ atom to form OY3Cu tetrahedra that share corners with ten OY3Cu tetrahedra, a cornercorner with one OY2Cu3 trigonal bipyramid, edges with three OY3Cu tetrahedra, and edges with two equivalent OY2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded to three equivalent Y3+ and one Cu2+ atom to form distorted OY3Cu tetrahedra that share corners with ten OY3Cu tetrahedra, corners with two equivalent OY2Cu3 trigonal bipyramids, edges with three OY3Cu tetrahedra, and an edgeedge with one OY2Cu3 trigonal bipyramid.
DOI: 10.17188/1262968
title: Materials Data on BaEu2ZnO5 by Materials Project

description: Eu2BaZnO5 crystallizes in the orthorhombic Pnma 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 2.72–3.35 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with four equivalent EuO7 pentagonal bipyramids, edges with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent ZnO5 trigonal bipyramids, a faceface with one EuO7 pentagonal bipyramid, and a faceface with one ZnO5 trigonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.41–2.46 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five equivalent ZnO5 trigonal bipyramids, edges with five EuO7 pentagonal bipyramids, an edgeedge with one ZnO5 trigonal bipyramid, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.34–2.48 Å. Zn2+ is bonded to five O2- atoms to form ZnO5 trigonal bipyramids that share corners with five equivalent EuO7 pentagonal bipyramids, edges with three EuO7 pentagonal bipyramids, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.01–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ba2+, two Eu3+, and one Zn2+ atom to form a mixture of distorted corner and edge-sharing OBa3Eu2Zn octahedra. The corner-sharing octahedral tilt angles are 3°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, three Eu3+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three Eu3+, and one Zn2+ atom.
DOI: 10.17188/1262969
title: Materials Data on Er(Ni2As)2 by Materials Project

description: Er(Ni2As)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded to six equivalent As atoms to form a mixture of distorted corner and edge-sharing ErAs6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.89 Å) and four longer (2.91 Å) Er–As bond lengths. Ni is bonded in a 3-coordinate geometry to three equivalent As atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Ni–As bond lengths. As is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ni atoms.
DOI: 10.17188/1262970
title: Materials Data on Ca(Ni2Sn)2 by Materials Project

description: CaNi4Sn2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Ca–Ni bond lengths are 3.05 Å. All Ca–Sn bond lengths are 3.51 Å. Ni is bonded in a 10-coordinate geometry to two equivalent Ca, four equivalent Ni, and four equivalent Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.75 Å. There are a spread of Ni–Sn bond distances ranging from 2.55–2.66 Å. Sn is bonded in a 12-coordinate geometry to four equivalent Ca and eight equivalent Ni atoms.
DOI: 10.17188/1262971
title: Materials Data on Ta3Al2CoC by Materials Project

description: Ta3Al2CoC crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a distorted bent 150 degrees geometry to two equivalent Co, four equivalent Al, and two equivalent C atoms. Both Ta–Co bond lengths are 2.98 Å. There are two shorter (2.77 Å) and two longer (2.98 Å) Ta–Al bond lengths. Both Ta–C bond lengths are 2.18 Å. Co is bonded to six equivalent Ta and six equivalent Al atoms to form CoTa6Al6 cuboctahedra that share edges with six equivalent CTa6 octahedra and faces with six equivalent CoTa6Al6 cuboctahedra. All Co–Al bond lengths are 2.50 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ta, three equivalent Co, and three equivalent Al atoms. All Al–Al bond lengths are 2.69 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra and edges with six equivalent CoTa6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.
DOI: 10.17188/1262972
title: Materials Data on SmMnSbO by Materials Project

description: SmMnSbO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All Sm–Sb bond lengths are 3.53 Å. All Sm–O bond lengths are 2.36 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.82 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Mn2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OSm4 tetrahedra.
DOI: 10.17188/1262973
title: Materials Data on GdScS3 by Materials Project

description: GdScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.76–2.94 Å. Sc3+ is bonded to six S2- atoms to form corner-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 42–43°. There are a spread of Sc–S bond distances ranging from 2.54–2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Sc3+ atoms. In the second S2- site, S2- is bonded to two equivalent Gd3+ and two equivalent Sc3+ atoms to form distorted corner-sharing SGd2Sc2 trigonal pyramids.
DOI: 10.17188/1262974
title: Materials Data on PuRh3C by Materials Project

description: PuRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Rh atoms to form PuRh12 cuboctahedra that share corners with twelve equivalent PuRh12 cuboctahedra, faces with six equivalent PuRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pu–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.11 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent PuRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262975
title: Materials Data on Ce5Ge3 by Materials Project

description: Ce5Ge3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Ce–Ge bond lengths are 3.19 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.00–3.27 Å. Ge is bonded in a 9-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1262976
title: Materials Data on La5Sn3 by Materials Project

description: La5Sn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to four equivalent Sn atoms. All La–Sn bond lengths are 3.31 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of La–Sn bond distances ranging from 3.35–3.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight equivalent La and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to ten La atoms.
DOI: 10.17188/1262978
title: Materials Data on La(SiRu)2 by Materials Project

description: LaRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.31 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1262979
title: Materials Data on Nd5Sn3 by Materials Project

description: Nd5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Nd–Sn bond lengths are 3.33 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.21–3.72 Å. Sn is bonded in a 9-coordinate geometry to nine Nd atoms.
DOI: 10.17188/1262980
title: Materials Data on Ba2(IrO3)3 by Materials Project

description: Ba2Ir3O9 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.04 Å. Ir+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ir–O bond distances ranging from 1.98–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ir+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Ba2+ and two equivalent Ir+4.67+ atoms.
DOI: 10.17188/1262981
title: Materials Data on Rb2V3O8 by Materials Project

description: Rb2V3O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.08 Å. There are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.64 Å) and four longer (2.00 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two V+4.67+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one V+4.67+ atom.
DOI: 10.17188/1262982
title: Materials Data on Y5Ga3 by Materials Project

description: Y5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are a spread of Y–Ga bond distances ranging from 2.99–3.56 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Y–Ga bond lengths are 3.12 Å. Ga is bonded in a 9-coordinate geometry to nine Y atoms.
DOI: 10.17188/1262983
title: Materials Data on Zr5Sn3 by Materials Project

description: Zr5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.93–3.16 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1262984
title: Materials Data on GdCuSe2 by Materials Project

description: GdCuSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to seven Se2- atoms to form distorted GdSe7 pentagonal bipyramids that share corners with four equivalent GdSe7 pentagonal bipyramids, corners with five equivalent CuSe4 tetrahedra, edges with seven equivalent GdSe7 pentagonal bipyramids, and edges with four equivalent CuSe4 tetrahedra. There are a spread of Gd–Se bond distances ranging from 2.91–3.17 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five equivalent GdSe7 pentagonal bipyramids, corners with four equivalent CuSe4 tetrahedra, edges with four equivalent GdSe7 pentagonal bipyramids, and an edgeedge with one CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.44–2.59 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and three equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one Cu1+ atom.
DOI: 10.17188/1262985
title: Materials Data on LiCr(SiO3)2 by Materials Project

description: LiCrSi2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.08–2.36 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–59°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Cr3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Cr3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded to one Li1+, two equivalent Cr3+, and one Si4+ atom to form distorted corner-sharing OLiCr2Si trigonal pyramids. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms.