cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1277161
title: Materials Data on TmPO4 by Materials Project

description: TmPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.29 Å) and four longer (2.36 Å) Tm–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Tm3+ and one P5+ atom.
DOI: 10.17188/1277162
title: Materials Data on EuNiGe by Materials Project

description: EuNiGe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu is bonded in a 1-coordinate geometry to four equivalent Ni and six equivalent Ge atoms. There are a spread of Eu–Ni bond distances ranging from 2.87–3.20 Å. There are a spread of Eu–Ge bond distances ranging from 3.19–3.42 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Eu, one Ni, and three equivalent Ge atoms. The Ni–Ni bond length is 2.59 Å. There are a spread of Ni–Ge bond distances ranging from 2.32–2.36 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ni atoms.
DOI: 10.17188/1277163
title: Materials Data on Er2Ti2O7 by Materials Project

description: Er2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded to eight O2- atoms to form distorted ErO8 hexagonal bipyramids that share edges with six equivalent ErO8 hexagonal bipyramids and edges with six equivalent TiO6 octahedra. There are two shorter (2.19 Å) and six longer (2.47 Å) Er–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and edges with six equivalent ErO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Er3+ atoms to form corner-sharing OEr4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1277164
title: Materials Data on TbFe2 by Materials Project

description: TbFe2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.02 Å) and three longer (3.04 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å.
DOI: 10.17188/1277165
title: Materials Data on CaSiO3 by Materials Project

description: CaSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Ca–O bond lengths are 2.55 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.80 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1277166
title: Materials Data on La(SiNi)2 by Materials Project

description: LaNi2Si2 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 3.18 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.35 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.56 Å.
DOI: 10.17188/1277167
title: Materials Data on NdAlO3 by Materials Project

description: NdAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.40 Å) and six longer (2.68 Å) Nd–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Al–O bond lengths are 1.92 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1277168
title: Materials Data on NiAs by Materials Project

description: NiAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–As bond lengths are 2.45 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Ni3+ atoms.
DOI: 10.17188/1277169
title: Materials Data on Ba2ZrF8 by Materials Project

description: Ba2ZrF8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.72–3.04 Å. In the second Ba2+ site, Ba2+ is bonded to twelve F1- atoms to form a mixture of distorted corner and face-sharing BaF12 cuboctahedra. There are a spread of Ba–F bond distances ranging from 2.73–2.99 Å. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.10–2.25 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Ba2+ and one Zr4+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two Ba2+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Zr4+ atom.
DOI: 10.17188/1277170
title: Materials Data on CeMnSi2 by Materials Project

description: CeMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.07–3.13 Å. Mn4+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.37 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, four equivalent Mn4+, and one Si4- atom. The Si–Si bond length is 2.43 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three Si4- atoms. Both Si–Si bond lengths are 2.34 Å.
DOI: 10.17188/1277171
title: Materials Data on Y2BeO4 by Materials Project

description: Y2BeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.54–1.57 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.73 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.23–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to one Be2+ and three Y3+ atoms to form distorted OY3Be tetrahedra that share corners with eight OY4 tetrahedra and edges with two equivalent OY3Be tetrahedra. In the third O2- site, O2- is bonded to one Be2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OY3Be tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with twelve OY3Be tetrahedra and edges with three OY4 tetrahedra.
DOI: 10.17188/1277172
title: Materials Data on CeAsS by Materials Project

description: CeAsS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. All Ce–As bond lengths are 3.12 Å. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As1- atoms. All As–As bond lengths are 2.79 Å. S2- is bonded to five equivalent Ce3+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids.
DOI: 10.17188/1277173
title: Materials Data on Zn2GeO4 by Materials Project

description: Zn2GeO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four ZnO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–1.99 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four ZnO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight ZnO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one Ge4+ atom.
DOI: 10.17188/1277174
title: Materials Data on CaCuSb by Materials Project

description: CaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing CaSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ca–Sb bond lengths are 3.29 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.58 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1277175
title: Materials Data on Pr2Si2O7 by Materials Project

description: Pr2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.33–2.65 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Pr3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one Si4+ atom.
DOI: 10.17188/1277176
title: Materials Data on TlNO3 by Materials Project

description: TlNO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.30 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Tl1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Tl1+ and one N5+ atom.
DOI: 10.17188/1277177
title: Materials Data on Hf2NiP by Materials Project

description: Hf2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 7-coordinate geometry to four equivalent Ni and three equivalent P atoms. There are a spread of Hf–Ni bond distances ranging from 2.66–2.82 Å. There are two shorter (2.70 Å) and one longer (2.86 Å) Hf–P bond lengths. In the second Hf site, Hf is bonded in a 7-coordinate geometry to three equivalent Ni and four equivalent P atoms. There are two shorter (2.70 Å) and one longer (2.87 Å) Hf–Ni bond lengths. There are a spread of Hf–P bond distances ranging from 2.68–2.81 Å. Ni is bonded in a 9-coordinate geometry to seven Hf and two equivalent P atoms. Both Ni–P bond lengths are 2.31 Å. P is bonded in a 9-coordinate geometry to seven Hf and two equivalent Ni atoms.
DOI: 10.17188/1277178
title: Materials Data on SmTiGe by Materials Project

description: SmTiGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (3.04 Å) and one longer (3.32 Å) Sm–Ge bond lengths. Ti is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing TiGe4 cuboctahedra. All Ti–Ge bond lengths are 2.75 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ti atoms.
DOI: 10.17188/1277179
title: Materials Data on LiAlGe by Materials Project

description: LiAlGe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded to six equivalent Al and four equivalent Ge atoms to form a mixture of distorted face and corner-sharing LiAl6Ge4 tetrahedra. All Li–Al bond lengths are 3.01 Å. All Li–Ge bond lengths are 2.61 Å. Al is bonded in a 4-coordinate geometry to six equivalent Li and four equivalent Ge atoms. All Al–Ge bond lengths are 2.61 Å. Ge is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms.
DOI: 10.17188/1277180
title: Materials Data on TaAlNi2 by Materials Project

description: Ni2AlTa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ta–Ni bond lengths are 2.59 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Al atoms. All Ni–Al bond lengths are 2.59 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1277181
title: Materials Data on MgSiO3 by Materials Project

description: MgSiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SiO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There are three shorter (2.01 Å) and three longer (2.20 Å) Mg–O bond lengths. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SiO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There is three shorter (1.78 Å) and three longer (1.85 Å) Si–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1277182
title: Materials Data on Nd2MgNi2 by Materials Project

description: Nd2Ni2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of distorted corner and face-sharing MgNd8Ni4 cuboctahedra. All Mg–Nd bond lengths are 3.38 Å. All Mg–Ni bond lengths are 2.99 Å. Nd is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.92 Å) and four longer (2.96 Å) Nd–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Nd, and one Ni atom. The Ni–Ni bond length is 2.53 Å.
DOI: 10.17188/1277183
title: Materials Data on Yb(SiNi)2 by Materials Project

description: YbNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Yb–Si bond lengths are 3.07 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Yb3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.45 Å.
DOI: 10.17188/1277184
title: Materials Data on Cs2Mn3Te4 by Materials Project

description: Cs2Mn3Te4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.98–4.11 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing MnTe4 tetrahedra. There are two shorter (2.76 Å) and two longer (2.79 Å) Mn–Te bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing MnTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. Te2- is bonded in a 7-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.
DOI: 10.17188/1277185
title: Materials Data on Al2CdS4 by Materials Project

description: CdAl2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with eight AlS4 tetrahedra. All Cd–S bond lengths are 2.57 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.27 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Al3+ atoms.
DOI: 10.17188/1277186
title: Materials Data on Na5SiP3 by Materials Project

description: Na5SiP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to five P+0.33- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.46 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two equivalent Si4- and five P+0.33- atoms. There are one shorter (3.25 Å) and one longer (3.29 Å) Na–Si bond lengths. There are a spread of Na–P bond distances ranging from 2.98–3.40 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P+0.33- atoms. There are a spread of Na–P bond distances ranging from 2.92–3.28 Å. In the fourth Na1+ site, Na1+ is bonded to four P+0.33- atoms to form NaP4 tetrahedra that share corners with three equivalent SiNa2P4 tetrahedra, corners with five NaP4 tetrahedra, an edgeedge with one NaP4 tetrahedra, and an edgeedge with one SiNa2P4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.86–2.92 Å. In the fifth Na1+ site, Na1+ is bonded to four P+0.33- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent SiNa2P4 tetrahedra, and edges with two NaP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.91–3.05 Å. Si4- is bonded to two equivalent Na1+ and four P+0.33- atoms to form distorted SiNa2P4 tetrahedra that share corners with eight NaP4 tetrahedra, an edgeedge with one NaP4 tetrahedra, and a faceface with one SiNa2P4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.27–2.35 Å. There are three inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Si4- atoms. In the second P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to eight Na1+ and one Si4- atom. In the third P+0.33- site, P+0.33- is bonded in a 7-coordinate geometry to seven Na1+ and one Si4- atom.