cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1192030
title: Materials Data on SrAlF5 by Materials Project

description: SrAlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.53–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.52–2.72 Å. 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 octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.80–1.91 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There are a spread of Al–F bond distances ranging from 1.79–1.86 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Al3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Sr2+ and one Al3+ atom. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to two Sr2+ and one Al3+ atom.
DOI: 10.17188/1192031
title: Materials Data on KHo2CuSe4 by Materials Project

description: KHo2CuSe4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.21–3.92 Å. Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with three equivalent HoSe6 octahedra, a cornercorner with one CuSe4 tetrahedra, edges with five equivalent HoSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of Ho–Se bond distances ranging from 2.83–2.94 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent HoSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, and edges with four equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two shorter (2.46 Å) and two longer (2.47 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Ho3+, and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded to two equivalent K1+, three equivalent Ho3+, and one Cu1+ atom to form a mixture of distorted edge, corner, and face-sharing SeK2Ho3Cu octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Se2- site, Se2- is bonded in a distorted square co-planar geometry to two equivalent K1+ and four equivalent Ho3+ atoms.
DOI: 10.17188/1192032
title: Materials Data on KEr2CuSe4 by Materials Project

description: KEr2CuSe4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.21–3.91 Å. Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share corners with three equivalent ErSe6 octahedra, a cornercorner with one CuSe4 tetrahedra, edges with five equivalent ErSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of Er–Se bond distances ranging from 2.82–2.93 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent ErSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, and edges with four equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two shorter (2.45 Å) and two longer (2.47 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent Er3+, and two equivalent Cu1+ atoms. In the second Se2- site, Se2- is bonded to two equivalent K1+, three equivalent Er3+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing SeK2Er3Cu octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Se2- site, Se2- is bonded in a distorted square co-planar geometry to two equivalent K1+ and four equivalent Er3+ atoms.
DOI: 10.17188/1192033
title: Materials Data on ZnCu2SnSe4 by Materials Project

description: Cu2ZnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnCu2Sn tetrahedra.
DOI: 10.17188/1192034
title: Materials Data on CdCu2SnSe4 by Materials Project

description: Cu2CdSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Cd2+, and one Sn4+ atom to form corner-sharing SeCdCu2Sn tetrahedra.
DOI: 10.17188/1192035
title: Materials Data on Cu2SnHgSe4 by Materials Project

description: Cu2HgSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent HgSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeCu2SnHg tetrahedra.
DOI: 10.17188/1192036
title: Materials Data on Al17(Re2Si)2 by Materials Project

description: Al17(Re2Si)2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 11-coordinate geometry to nine Al and two equivalent Si atoms. There are a spread of Re–Al bond distances ranging from 2.50–2.98 Å. Both Re–Si bond lengths are 2.50 Å. In the second Re site, Re is bonded to eleven Al and one Si atom to form distorted ReAl11Si cuboctahedra that share a cornercorner with one AlRe2Si2 cuboctahedra, corners with five equivalent ReAl11Si cuboctahedra, and a faceface with one ReAl11Si cuboctahedra. There are a spread of Re–Al bond distances ranging from 2.51–2.95 Å. The Re–Si bond length is 2.51 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to one Re and one Al atom. The Al–Al bond length is 2.92 Å. In the second Al site, Al is bonded to two equivalent Re and two equivalent Si atoms to form distorted AlRe2Si2 cuboctahedra that share corners with two equivalent ReAl11Si cuboctahedra. Both Al–Si bond lengths are 2.61 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to three Re, one Al, and one Si atom. The Al–Al bond length is 2.98 Å. The Al–Si bond length is 2.64 Å. In the fourth Al site, Al is bonded in a distorted single-bond geometry to one Re atom. In the fifth Al site, Al is bonded in a 1-coordinate geometry to three Re and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Re and ten Al atoms. In the seventh Al site, Al is bonded in a 2-coordinate geometry to three Re and one Si atom. The Al–Si bond length is 2.89 Å. In the eighth Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Re and four equivalent Si atoms. All Al–Si bond lengths are 3.02 Å. Si is bonded in a 11-coordinate geometry to three Re, seven Al, and one Si atom. The Si–Si bond length is 2.52 Å.
DOI: 10.17188/1192037
title: Materials Data on UAs2 by Materials Project

description: UAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of U–As bond distances ranging from 2.87–3.03 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å. In the second As3- site, As3- is bonded to five equivalent U6+ atoms to form a mixture of distorted edge and corner-sharing AsU5 square pyramids.
DOI: 10.17188/1192038
title: Materials Data on Ca7Ge6 by Materials Project

description: Ca7Ge6 is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.99–3.17 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.50 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.08–3.37 Å. In the fourth Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.96–3.47 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven Ca and two Ge atoms. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1192039
title: Materials Data on Li2CaHfF8 by Materials Project

description: Li2CaHfF8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal pyramidal geometry to four equivalent F1- atoms. All Li–F bond lengths are 1.93 Å. In the second Li1+ site, Li1+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All Li–F bond lengths are 1.94 Å. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.32 Å) and four longer (2.41 Å) Ca–F bond lengths. Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.09 Å) and four longer (2.16 Å) Hf–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Ca2+, and one Hf4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Ca2+, and one Hf4+ atom.
DOI: 10.17188/1192040
title: Materials Data on Tl2O3 by Materials Project

description: Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tl–O bond distances ranging from 2.26–2.36 Å. In the second Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tl–O bond lengths are 2.31 Å. O2- is bonded to four Tl3+ atoms to form a mixture of distorted edge and corner-sharing OTl4 trigonal pyramids.
DOI: 10.17188/1192041
title: Materials Data on HgB4O7 by Materials Project

description: HgB4O7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.26–2.29 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.55 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.52 Å. In the third 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 fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.39 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two B3+ atoms.
DOI: 10.17188/1192042
title: Materials Data on Dy4Si2S3O7 by Materials Project

description: Dy4Si2S3O7 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 9-coordinate geometry to three S2- and six O2- atoms. There are one shorter (2.86 Å) and two longer (2.88 Å) Dy–S bond lengths. There are a spread of Dy–O bond distances ranging from 2.38–2.53 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to three S2- and three O2- atoms. There are two shorter (2.77 Å) and one longer (2.80 Å) Dy–S bond lengths. There are one shorter (2.29 Å) and two longer (2.44 Å) Dy–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SDy4O2 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent Dy3+ and twelve O2- atoms. There are eight shorter (3.17 Å) and four longer (3.21 Å) S–O bond lengths. In the second S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent O2- atoms to form distorted SDy4O2 octahedra that share corners with four equivalent SiO4 tetrahedra and corners with four equivalent ODy3SiS tetrahedra. Both S–O bond lengths are 3.09 Å. In the third S2- site, S2- is bonded in a 12-coordinate geometry to four Dy3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ and one S2- atom. In the second O2- site, O2- is bonded to three Dy3+, one Si4+, and one S2- atom to form distorted ODy3SiS tetrahedra that share a cornercorner with one SDy4O2 octahedra, a cornercorner with one ODy3SiS tetrahedra, and edges with two equivalent ODy3SiS tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+, one Si4+, and one S2- atom.
DOI: 10.17188/1192043
title: Materials Data on Tb4Si2S3O7 by Materials Project

description: Tb4Si2S3O7 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to three S2- and six O2- atoms. There are one shorter (2.87 Å) and two longer (2.89 Å) Tb–S bond lengths. There are a spread of Tb–O bond distances ranging from 2.40–2.54 Å. In the second Tb3+ site, Tb3+ is bonded in a 6-coordinate geometry to three S2- and three O2- atoms. There are two shorter (2.78 Å) and one longer (2.81 Å) Tb–S bond lengths. There are one shorter (2.31 Å) and two longer (2.45 Å) Tb–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one STb4O2 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent Tb3+ and twelve O2- atoms. There are eight shorter (3.18 Å) and four longer (3.23 Å) S–O bond lengths. In the second S2- site, S2- is bonded to four equivalent Tb3+ and two equivalent O2- atoms to form distorted STb4O2 octahedra that share corners with four equivalent SiO4 tetrahedra and corners with four equivalent OTb3SiS tetrahedra. Both S–O bond lengths are 3.11 Å. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Tb3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ and one S2- atom. In the second O2- site, O2- is bonded to three Tb3+, one Si4+, and one S2- atom to form distorted OTb3SiS tetrahedra that share a cornercorner with one STb4O2 octahedra, a cornercorner with one OTb3SiS tetrahedra, and edges with two equivalent OTb3SiS tetrahedra. The corner-sharing octahedral tilt angles are 82°. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Tb3+, one Si4+, and one S2- atom.
DOI: 10.17188/1192044
title: Materials Data on Tm4Si2S3O7 by Materials Project

description: Tm4Si2S3O7 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to three S2- and six O2- atoms. There are one shorter (2.84 Å) and two longer (2.85 Å) Tm–S bond lengths. There are a spread of Tm–O bond distances ranging from 2.33–2.50 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to three S2- and three O2- atoms. There are two shorter (2.74 Å) and one longer (2.77 Å) Tm–S bond lengths. There are one shorter (2.25 Å) and two longer (2.41 Å) Tm–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one STm4O2 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent Tm3+ and twelve O2- atoms. There are eight shorter (3.13 Å) and four longer (3.16 Å) S–O bond lengths. In the second S2- site, S2- is bonded to four equivalent Tm3+ and two equivalent O2- atoms to form distorted STm4O2 octahedra that share corners with four equivalent SiO4 tetrahedra. Both S–O bond lengths are 3.03 Å. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Tm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ and one S2- atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+, one Si4+, and one S2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+, one Si4+, and one S2- atom.
DOI: 10.17188/1192045
title: Materials Data on K3TbSi2O7 by Materials Project

description: K3TbSi2O7 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.78 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.06 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.94 Å) and three longer (3.03 Å) K–O bond lengths. There are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six equivalent O2- atoms to form distorted TbO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Tb–O bond lengths are 2.31 Å. In the second Tb3+ site, Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Tb–O bond lengths are 2.27 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent TbO6 octahedra, a cornercorner with one TbO6 pentagonal pyramid, and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 12°. There is three shorter (1.64 Å) and one longer (1.69 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Tb3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, one Tb3+, and one Si4+ atom.