cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1719356
title: Materials Data on Mo2NO7 by Materials Project

description: Mo2NO7 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo2NO7 sheet oriented in the (1, 1, -1) direction. there are four inequivalent Mo+4.50+ sites. In the first Mo+4.50+ site, Mo+4.50+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.56 Å. In the second Mo+4.50+ site, Mo+4.50+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.16 Å. In the third Mo+4.50+ site, Mo+4.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.38 Å. In the fourth Mo+4.50+ site, Mo+4.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.30 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.80 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.83 Å. In the third N5+ site, N5+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.83 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Mo+4.50+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo+4.50+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mo+4.50+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mo+4.50+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo+4.50+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo+4.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+4.50+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo+4.50+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Mo+4.50+ atom. In the tenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mo+4.50+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+4.50+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to four Mo+4.50+ atoms. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Mo+4.50+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.
DOI: 10.17188/1719357
title: Materials Data on UCo by Materials Project

description: UCo crystallizes in the cubic I2_13 space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to three equivalent U and eight equivalent Co atoms. All U–U bond lengths are 2.75 Å. There are a spread of U–Co bond distances ranging from 2.61–2.87 Å. Co is bonded in a 11-coordinate geometry to eight equivalent U and three equivalent Co atoms. All Co–Co bond lengths are 2.64 Å.
DOI: 10.17188/1719358
title: Materials Data on ThSc(BRh)8 by Materials Project

description: ThSc(RhB)8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (3.01 Å) and eight longer (3.21 Å) Th–Rh bond lengths. There are eight shorter (3.04 Å) and four longer (3.18 Å) Th–B bond lengths. Sc is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are four shorter (2.93 Å) and eight longer (3.17 Å) Sc–Rh bond lengths. There are eight shorter (3.04 Å) and four longer (3.17 Å) Sc–B bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.24 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Sc, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.21–2.32 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Sc, five Rh, and one B atom. The B–B bond length is 1.83 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Sc, five Rh, and one B atom. The B–B bond length is 1.78 Å.
DOI: 10.17188/1719360
title: Materials Data on Mg2Si3 by Materials Project

description: Mg2Si3 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.14 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.12 Å. In the third Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to eight Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.17 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to nine Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.86–3.19 Å. There are six inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four Mg2+ and four Si+1.33- atoms. There are one shorter (2.39 Å) and three longer (2.44 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six Mg2+ and three Si+1.33- atoms. There are one shorter (2.38 Å) and two longer (2.42 Å) Si–Si bond lengths. In the third Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to five Mg2+ and three Si+1.33- atoms. The Si–Si bond length is 2.47 Å. In the fourth Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to four Mg2+ and three Si+1.33- atoms. In the fifth Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si+1.33- atoms. The Si–Si bond length is 2.46 Å. In the sixth Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to six Mg2+ and two Si+1.33- atoms.
DOI: 10.17188/1719361
title: Materials Data on BaYMnCoO5 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: 10.17188/1719362
title: Materials Data on GaSeCl by Materials Project

description: GaSeCl crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two GaSeCl sheets oriented in the (0, 0, 1) direction. Ga3+ is bonded to three equivalent Se2- and one Cl1- atom to form corner-sharing GaSe3Cl tetrahedra. There are one shorter (2.47 Å) and two longer (2.49 Å) Ga–Se bond lengths. The Ga–Cl bond length is 2.18 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga3+ atoms. Cl1- is bonded in a single-bond geometry to one Ga3+ atom.
DOI: 10.17188/1719363
title: Materials Data on LiCoSbO4 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: 10.17188/1719364
title: Materials Data on FeCo by Materials Project

description: FeCo is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Fe is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Co atoms. All Fe–Fe bond lengths are 2.47 Å. All Fe–Co bond lengths are 2.46 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Co atoms. All Co–Co bond lengths are 2.47 Å.
DOI: 10.17188/1719365
title: Materials Data on Eu3Au2 by Materials Project

description: Eu3Au2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in an octahedral geometry to six equivalent Au atoms. All Eu–Au bond lengths are 3.23 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are three shorter (3.11 Å) and three longer (3.30 Å) Eu–Au bond lengths. In the third Eu site, Eu is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Eu–Au bond distances ranging from 3.15–3.48 Å. Au is bonded in a 8-coordinate geometry to eight Eu atoms.
DOI: 10.17188/1719367
title: Materials Data on Sr3PrMn4O12 by Materials Project

description: Sr3PrMn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent PrO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with two equivalent PrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. There are eight shorter (2.75 Å) and four longer (2.80 Å) Sr–O bond lengths. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Pr–O bond lengths are 2.69 Å. Mn+3.75+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with two equivalent PrO12 cuboctahedra, and faces with six equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to three equivalent Sr2+, one Pr3+, and two equivalent Mn+3.75+ atoms.
DOI: 10.17188/1719368
title: Materials Data on Ba(V5S8)2 by Materials Project

description: Ba(V5S8)2 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten S2- atoms. There are a spread of Ba–S bond distances ranging from 3.16–3.31 Å. There are six inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–S bond distances ranging from 2.27–2.51 Å. In the second V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–S bond distances ranging from 2.28–2.50 Å. In the third V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.38 Å) and two longer (2.42 Å) V–S bond lengths. In the fourth V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.38 Å) and two longer (2.42 Å) V–S bond lengths. In the fifth V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.26–2.60 Å. In the sixth V3+ site, V3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.27–2.59 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and three V3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and three V3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five V3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five V3+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and three V3+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and three V3+ atoms. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and four V3+ atoms. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V3+ atoms.
DOI: 10.17188/1719369
title: Materials Data on Cs2Pb2O3 by Materials Project

description: Cs2Pb2O3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.21 Å) and three longer (3.30 Å) Cs–O bond lengths. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.22 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 56–60°.
DOI: 10.17188/1719370
title: Materials Data on U3TaSb5 by Materials Project

description: U3TaSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.33+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.12–3.23 Å. Ta5+ is bonded to six equivalent Sb3- atoms to form face-sharing TaSb6 octahedra. All Ta–Sb bond lengths are 2.88 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to five equivalent U+3.33+ and two equivalent Ta5+ atoms to form a mixture of distorted face, edge, and corner-sharing SbU5Ta2 pentagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.33+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.03 Å.
DOI: 10.17188/1719373
title: Materials Data on NiP2(NO4)2 by Materials Project

description: (NiP2O7)2N2(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; four nitroxyl molecules; and two NiP2O7 ribbons oriented in the (0, 0, 1) direction. In each NiP2O7 ribbon, Ni4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ni–O bond distances ranging from 1.89–2.54 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.49 Å) and one longer (1.52 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.49 Å) and one longer (1.52 Å) P–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ni4+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Ni4+ and one O2- atom. The O–O bond length is 1.24 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one P5+ atom.
DOI: 10.17188/1719374
title: Materials Data on YAlFe by Materials Project

description: AlFeY crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to four Y, seven Fe, and five Al atoms. There are a spread of Y–Y bond distances ranging from 3.18–3.29 Å. There are a spread of Y–Fe bond distances ranging from 3.08–3.19 Å. There are three shorter (3.13 Å) and two longer (3.14 Å) Y–Al bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Y, five Fe, and seven Al atoms. There are a spread of Y–Fe bond distances ranging from 3.04–3.27 Å. There are a spread of Y–Al bond distances ranging from 3.06–3.22 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six Y, two equivalent Fe, and four Al atoms to form distorted FeY6Al4Fe2 cuboctahedra that share corners with four equivalent FeY6Al2Fe4 cuboctahedra, corners with eight AlY6Fe6 cuboctahedra, edges with six equivalent FeY6Al4Fe2 cuboctahedra, faces with eight FeY6Al4Fe2 cuboctahedra, and faces with twelve AlY6Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. There are a spread of Fe–Al bond distances ranging from 2.59–2.74 Å. In the second Fe site, Fe is bonded to six Y, four Fe, and two equivalent Al atoms to form FeY6Al2Fe4 cuboctahedra that share corners with eight FeY6Al4Fe2 cuboctahedra, corners with ten AlY6Al4Fe2 cuboctahedra, edges with two equivalent FeY6Al2Fe4 cuboctahedra, edges with four equivalent AlY6Al4Fe2 cuboctahedra, faces with eight AlY6Fe6 cuboctahedra, and faces with ten FeY6Al4Fe2 cuboctahedra. There are one shorter (2.64 Å) and one longer (2.76 Å) Fe–Fe bond lengths. There are one shorter (2.62 Å) and one longer (2.78 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Y and six Fe atoms to form AlY6Fe6 cuboctahedra that share corners with four equivalent FeY6Al4Fe2 cuboctahedra, corners with fourteen AlY6Fe6 cuboctahedra, edges with six AlY6Fe6 cuboctahedra, faces with four equivalent AlY6Al4Fe2 cuboctahedra, and faces with fourteen FeY6Al4Fe2 cuboctahedra. In the second Al site, Al is bonded to six Y, two equivalent Fe, and four Al atoms to form AlY6Al4Fe2 cuboctahedra that share corners with eight AlY6Fe6 cuboctahedra, corners with ten FeY6Al4Fe2 cuboctahedra, edges with two equivalent AlY6Al4Fe2 cuboctahedra, edges with four equivalent FeY6Al2Fe4 cuboctahedra, faces with eight FeY6Al4Fe2 cuboctahedra, and faces with ten AlY6Fe6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–2.76 Å. In the third Al site, Al is bonded to six Y, two equivalent Fe, and four equivalent Al atoms to form AlY6Al4Fe2 cuboctahedra that share corners with six AlY6Fe6 cuboctahedra, corners with twelve FeY6Al4Fe2 cuboctahedra, edges with six AlY6Fe6 cuboctahedra, faces with eight equivalent AlY6Al4Fe2 cuboctahedra, and faces with ten FeY6Al4Fe2 cuboctahedra.
DOI: 10.17188/1719376
title: Materials Data on Zn(NO4)2 by Materials Project

description: Zn(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Zn(NO4)2 sheet oriented in the (1, 0, 0) direction. Zn is bonded in an octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.97–2.33 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom.
DOI: 10.17188/1719377
title: Materials Data on La2(Ni2B)3 by Materials Project

description: La2(Ni2B)3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 1-coordinate geometry to twelve Ni and three B atoms. There are four shorter (2.97 Å) and eight longer (3.11 Å) La–Ni bond lengths. There are one shorter (2.79 Å) and two longer (3.07 Å) La–B bond lengths. In the second La site, La is bonded in a 2-coordinate geometry to four equivalent Ni and two equivalent B atoms. All La–Ni bond lengths are 2.95 Å. Both La–B bond lengths are 2.65 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to three La and two B atoms. There are one shorter (2.03 Å) and one longer (2.08 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to two equivalent La and three B atoms. There are a spread of Ni–B bond distances ranging from 1.99–2.06 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to six Ni and one B atom. The B–B bond length is 1.97 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent La and six Ni atoms. In the third B site, B is bonded in a 6-coordinate geometry to three La, two equivalent Ni, and one B atom.
DOI: 10.17188/1719378
title: Materials Data on Na4SrCaSi2 by Materials Project

description: (Na)2Na2SrCaSi2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of two sodium molecules and one Na2SrCaSi2 framework. In the Na2SrCaSi2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Si4- atoms to form NaSi4 tetrahedra that share corners with four equivalent CaSi4 tetrahedra, corners with twelve NaSi4 tetrahedra, edges with two equivalent CaSi4 tetrahedra, and edges with four equivalent SrSi4 tetrahedra. All Na–Si bond lengths are 3.27 Å. In the second Na1+ site, Na1+ is bonded to four equivalent Si4- atoms to form NaSi4 tetrahedra that share corners with four equivalent SrSi4 tetrahedra, corners with twelve NaSi4 tetrahedra, edges with two equivalent SrSi4 tetrahedra, and edges with four equivalent CaSi4 tetrahedra. All Na–Si bond lengths are 3.20 Å. Sr2+ is bonded to four equivalent Si4- atoms to form SrSi4 tetrahedra that share corners with four equivalent NaSi4 tetrahedra, corners with four equivalent SrSi4 tetrahedra, corners with eight equivalent CaSi4 tetrahedra, and edges with six NaSi4 tetrahedra. All Sr–Si bond lengths are 3.27 Å. Ca2+ is bonded to four equivalent Si4- atoms to form CaSi4 tetrahedra that share corners with four equivalent NaSi4 tetrahedra, corners with four equivalent CaSi4 tetrahedra, corners with eight equivalent SrSi4 tetrahedra, and edges with six NaSi4 tetrahedra. All Ca–Si bond lengths are 3.20 Å. Si4- is bonded in a body-centered cubic geometry to four Na1+, two equivalent Sr2+, and two equivalent Ca2+ atoms.