cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1711144
title: Materials Data on PdAu by Materials Project

description: AuPd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six equivalent Pd and six Au atoms to form distorted PdPd6Au6 cuboctahedra that share corners with twelve PdPd6Au6 cuboctahedra, edges with twelve PdPd6Au6 cuboctahedra, edges with twelve AuPd6Au6 cuboctahedra, faces with six equivalent PdPd6Au6 cuboctahedra, and faces with twelve AuPd6Au6 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Au bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to ten equivalent Pd and six Au atoms to form distorted PdPd10Au6 cuboctahedra that share corners with ten AuPd6Au6 cuboctahedra, corners with twelve PdPd6Au6 cuboctahedra, edges with eight AuPd6Au6 cuboctahedra, edges with sixteen PdPd6Au6 cuboctahedra, faces with sixteen equivalent PdPd10Au6 cuboctahedra, and faces with eighteen AuPd6Au6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.89–5.78 Å. All Pd–Au bond lengths are 2.86 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded to six equivalent Pd and six equivalent Au atoms to form distorted AuPd6Au6 cuboctahedra that share corners with twelve AuPd6Au6 cuboctahedra, edges with twelve equivalent PdPd6Au6 cuboctahedra, edges with twelve AuPd6Au6 cuboctahedra, faces with six equivalent AuPd6Au6 cuboctahedra, and faces with twelve equivalent PdPd6Au6 cuboctahedra. All Au–Au bond lengths are 2.89 Å. In the second Au site, Au is bonded to six Pd and six equivalent Au atoms to form distorted AuPd6Au6 cuboctahedra that share corners with five equivalent PdPd10Au6 cuboctahedra, corners with twelve AuPd6Au6 cuboctahedra, edges with ten PdPd6Au6 cuboctahedra, edges with twelve AuPd6Au6 cuboctahedra, faces with six equivalent AuPd6Au6 cuboctahedra, and faces with fifteen PdPd6Au6 cuboctahedra. All Au–Au bond lengths are 2.89 Å. In the third Au site, Au is bonded to six Pd and six equivalent Au atoms to form distorted AuPd6Au6 cuboctahedra that share corners with five equivalent PdPd10Au6 cuboctahedra, corners with twelve AuPd6Au6 cuboctahedra, edges with ten PdPd6Au6 cuboctahedra, edges with twelve AuPd6Au6 cuboctahedra, faces with six equivalent AuPd6Au6 cuboctahedra, and faces with fifteen PdPd6Au6 cuboctahedra. All Au–Pd bond lengths are 2.86 Å. All Au–Au bond lengths are 2.89 Å.
DOI: 10.17188/1711145
title: Materials Data on Tb2Ni2Sn by Materials Project

description: Tb2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.95 Å) and two longer (2.98 Å) Tb–Ni bond lengths. There are two shorter (3.25 Å) and two longer (3.31 Å) Tb–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.38 Å. Both Ni–Sn bond lengths are 2.70 Å. Sn is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of face and edge-sharing SnTb8Ni4 cuboctahedra.
DOI: 10.17188/1711147
title: Materials Data on MgTi by Materials Project

description: MgTi is beta-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five Ti atoms to form MgMg7Ti5 cuboctahedra that share corners with nine MgMg7Ti5 cuboctahedra, corners with nine equivalent TiMg8Ti4 cuboctahedra, edges with eight MgMg7Ti5 cuboctahedra, edges with ten TiMg5Ti7 cuboctahedra, faces with nine TiMg8Ti4 cuboctahedra, and faces with eleven MgMg7Ti5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.08 Å. There are a spread of Mg–Ti bond distances ranging from 3.02–3.24 Å. In the second Mg site, Mg is bonded to three Mg and nine Ti atoms to form distorted MgMg3Ti9 cuboctahedra that share corners with nine MgMg7Ti5 cuboctahedra, corners with nine equivalent TiMg8Ti4 cuboctahedra, edges with six TiMg5Ti7 cuboctahedra, edges with twelve MgMg7Ti5 cuboctahedra, faces with seven MgMg7Ti5 cuboctahedra, and faces with thirteen TiMg8Ti4 cuboctahedra. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Ti bond distances ranging from 2.93–2.99 Å. In the third Mg site, Mg is bonded to six Mg and six Ti atoms to form distorted MgMg6Ti6 cuboctahedra that share corners with four equivalent MgMg6Ti6 cuboctahedra, corners with fourteen TiMg7Ti5 cuboctahedra, edges with eight TiMg8Ti4 cuboctahedra, edges with ten MgMg7Ti5 cuboctahedra, faces with eight TiMg8Ti4 cuboctahedra, and faces with twelve MgMg7Ti5 cuboctahedra. Both Mg–Mg bond lengths are 3.11 Å. There are a spread of Mg–Ti bond distances ranging from 2.99–3.29 Å. There are three inequivalent Ti sites. In the first Ti site, Ti is bonded to eight Mg and four Ti atoms to form distorted TiMg8Ti4 cuboctahedra that share corners with eighteen MgMg7Ti5 cuboctahedra, edges with four equivalent MgMg6Ti6 cuboctahedra, edges with fourteen TiMg7Ti5 cuboctahedra, faces with ten MgMg7Ti5 cuboctahedra, and faces with ten TiMg8Ti4 cuboctahedra. There are two shorter (2.90 Å) and two longer (3.01 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded to five Mg and seven Ti atoms to form distorted TiMg5Ti7 cuboctahedra that share corners with five equivalent MgMg6Ti6 cuboctahedra, corners with thirteen TiMg7Ti5 cuboctahedra, edges with six TiMg8Ti4 cuboctahedra, edges with twelve MgMg7Ti5 cuboctahedra, faces with nine MgMg7Ti5 cuboctahedra, and faces with eleven TiMg8Ti4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.81–3.08 Å. In the third Ti site, Ti is bonded to seven Mg and five Ti atoms to form distorted TiMg7Ti5 cuboctahedra that share corners with nine equivalent MgMg6Ti6 cuboctahedra, corners with nine equivalent TiMg5Ti7 cuboctahedra, edges with eight MgMg3Ti9 cuboctahedra, edges with ten TiMg7Ti5 cuboctahedra, faces with nine TiMg8Ti4 cuboctahedra, and faces with eleven MgMg7Ti5 cuboctahedra.
DOI: 10.17188/1711148
title: Materials Data on Li4FeTe(WO6)2 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: 10.17188/1711149
title: Materials Data on KHgI3O by Materials Project

description: KHgOI3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. K is bonded in a distorted bent 150 degrees geometry to two equivalent O and four I atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) K–O bond lengths. There are a spread of K–I bond distances ranging from 3.47–3.75 Å. Hg is bonded to four I atoms to form distorted corner-sharing HgI4 trigonal pyramids. There are a spread of Hg–I bond distances ranging from 2.74–3.30 Å. O is bonded in a trigonal planar geometry to two equivalent K and one I atom. The O–I bond length is 1.91 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted single-bond geometry to two equivalent Hg and one O atom. In the second I site, I is bonded in a 3-coordinate geometry to two equivalent K and one Hg atom. In the third I site, I is bonded in a 3-coordinate geometry to two equivalent K and one Hg atom.
DOI: 10.17188/1711151
title: Materials Data on Ca2CdAg by Materials Project

description: Ca2AgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2AgCd ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Ag and one Cd atom. The Ca–Ag bond length is 3.02 Å. The Ca–Cd bond length is 3.40 Å. Ag is bonded in a linear geometry to two equivalent Ca atoms. Cd is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1711153
title: Materials Data on Li2MnFe(BO3)2 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: 10.17188/1711154
title: Materials Data on Cu5(PO6)2 by Materials Project

description: Cu5(PO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cu+2.80+ sites. In the first Cu+2.80+ site, Cu+2.80+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.89 Å) Cu–O bond length. In the second Cu+2.80+ site, Cu+2.80+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–1.94 Å. In the third Cu+2.80+ site, Cu+2.80+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.91–2.45 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–67°. There are a spread of P–O bond distances ranging from 1.51–1.60 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cu+2.80+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Cu+2.80+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu+2.80+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cu+2.80+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu+2.80+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Cu+2.80+ atoms.
DOI: 10.17188/1711155
title: Materials Data on Gd3In by Materials Project

description: Gd3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to eight equivalent Gd and four equivalent In atoms to form distorted GdGd8In4 cuboctahedra that share corners with twelve equivalent GdGd8In4 cuboctahedra, edges with eight equivalent InGd12 cuboctahedra, edges with sixteen equivalent GdGd8In4 cuboctahedra, faces with four equivalent InGd12 cuboctahedra, and faces with fourteen equivalent GdGd8In4 cuboctahedra. All Gd–Gd bond lengths are 3.46 Å. All Gd–In bond lengths are 3.46 Å. In is bonded to twelve equivalent Gd atoms to form InGd12 cuboctahedra that share corners with twelve equivalent InGd12 cuboctahedra, edges with twenty-four equivalent GdGd8In4 cuboctahedra, faces with six equivalent InGd12 cuboctahedra, and faces with twelve equivalent GdGd8In4 cuboctahedra.
DOI: 10.17188/1711156
title: Materials Data on LiRh2W by Materials Project

description: LiWRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiWRh2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Rh atoms. Both Li–Rh bond lengths are 2.75 Å. W is bonded in a linear geometry to two equivalent Rh atoms. Both W–Rh bond lengths are 2.17 Å. Rh is bonded in a linear geometry to one Li and one W atom.
DOI: 10.17188/1711157
title: Materials Data on Co(IO4)2 by Materials Project

description: Co(O4I)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Co(O4I)2 sheet oriented in the (1, 1, 0) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.74–1.94 Å. In the second Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.76–1.93 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the fourth O site, O is bonded in a single-bond geometry to one Co atom. In the fifth O site, O is bonded in a water-like geometry to one Co and one I atom. The O–I bond length is 1.91 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Co and one I atom. The O–I bond length is 1.87 Å. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to two I atoms. There are one shorter (1.81 Å) and one longer (2.50 Å) O–I bond lengths. In the eighth O site, O is bonded in a single-bond geometry to one Co atom. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to four O atoms. In the second I site, I is bonded in a 6-coordinate geometry to three O atoms.
DOI: 10.17188/1711159
title: Materials Data on CsY(SeO3)2 by Materials Project

description: CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra and edges with six equivalent YO6 octahedra. There are six shorter (3.30 Å) and six longer (3.52 Å) Cs–O bond lengths. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share edges with six equivalent CsO12 cuboctahedra. All Y–O bond lengths are 2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.73 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Y3+, and one Se4+ atom.
DOI: 10.17188/1711160
title: Materials Data on La2InPd2 by Materials Project

description: La2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.95 Å) and four longer (3.16 Å) La–Pd bond lengths. All La–In bond lengths are 3.55 Å. Pd is bonded in a 2-coordinate geometry to six equivalent La, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.94 Å. Both Pd–In bond lengths are 3.13 Å. In is bonded to eight equivalent La and four equivalent Pd atoms to form a mixture of face and corner-sharing InLa8Pd4 cuboctahedra.
DOI: 10.17188/1711161
title: Materials Data on Nd2NiGe6 by Materials Project

description: Nd2NiGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.08–3.31 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Nd–Ni bond lengths are 3.18 Å. There are a spread of Nd–Ge bond distances ranging from 3.08–3.31 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.37 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. All Ge–Ge bond lengths are 2.90 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Nd and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms.
DOI: 10.17188/1711162
title: Materials Data on Li5V(CO3)4 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: 10.17188/1711163
title: Materials Data on Na2Mo(HO2)2 by Materials Project

description: Na2Mo(HO2)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to one H1+ and four O2- atoms. The Na–H bond length is 2.64 Å. There are a spread of Na–O bond distances ranging from 2.32–2.37 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to two H1+ and three O2- atoms. There are one shorter (2.51 Å) and one longer (2.67 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.26–2.30 Å. Mo4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.83 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a 1-coordinate geometry to one Na1+ atom. In the second H1+ site, H1+ is bonded in a water-like geometry to two Na1+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one Mo4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one Mo4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Mo4+ atom. In the fourth O2- site, O2- is bonded to three Na1+ and one Mo4+ atom to form distorted edge-sharing ONa3Mo trigonal pyramids.
DOI: 10.17188/1711164
title: Materials Data on K2TlHgCl6 by Materials Project

description: K2HgTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All K–Cl bond lengths are 3.84 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.68 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.76 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Hg1+, and one Tl3+ atom.
DOI: 10.17188/1711166
title: Materials Data on FeRe(PbO3)2 by Materials Project

description: Pb2FeReO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4 space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Re–O bond distances ranging from 1.95–1.98 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Fe–O bond distances ranging from 2.02–2.09 Å. Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ReO6 octahedra, and faces with four equivalent FeO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.71–2.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Re5+, one Fe3+, and four equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Re5+, one Fe3+, and four equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one Re5+, one Fe3+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1711167
title: Materials Data on Li3V12O29 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: 10.17188/1711169
title: Materials Data on NaEuP2H4CO7 by Materials Project

description: NaEuCP2H4O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.76 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.69 Å. C4- is bonded in a distorted tetrahedral geometry to two P5+ and two H1+ atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) C–P bond length. Both C–H bond lengths are 1.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one C4- and three O2- atoms to form corner-sharing PCO3 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P5+ site, P5+ is bonded to one C4- and three O2- atoms to form corner-sharing PCO3 tetrahedra. There is one shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Eu3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Eu3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Eu3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Na1+, one Eu3+, and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Eu3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one P5+ atom.