cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1676488
title: Materials Data on K2Er2(PO4)3 by Materials Project

description: K2Er2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three equivalent O atoms. All K–O bond lengths are 3.07 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 3.09–3.33 Å. There are two inequivalent Er sites. In the first Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.24 Å) Er–O bond lengths. In the second Er site, Er is bonded to six O atoms to form ErO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.20 Å) and three longer (2.23 Å) Er–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four ErO6 octahedra. The corner-sharing octahedra tilt angles range from 11–45°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Er, and one P atom. In the second O site, O is bonded in a distorted linear geometry to one K, one Er, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Er, and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Er, and one P atom.
DOI: 10.17188/1676489
title: Materials Data on LiFeN 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: 10.17188/1676490
title: Materials Data on YInHg2 by Materials Project

description: YHg2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YHg2In ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Hg atoms. Both Y–Hg bond lengths are 3.04 Å. Hg is bonded in a linear geometry to one Y and one In atom. The Hg–In bond length is 2.88 Å. In is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1676491
title: Materials Data on Ba3CeIr2O9 by Materials Project

description: Ba3CeIr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent CeO6 octahedra, and faces with four equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Ba–O bond distances ranging from 2.90–3.16 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent CeO6 octahedra, and faces with six equivalent IrO6 octahedra. There are six shorter (3.00 Å) and six longer (3.02 Å) Ba–O bond lengths. Ce3+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.22 Å. Ir+4.50+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent CeO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.00 Å) and three longer (2.07 Å) Ir–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two equivalent Ir+4.50+ atoms to form a mixture of distorted corner and face-sharing OBa4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 3–60°. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Ce3+, and one Ir+4.50+ atom.
DOI: 10.17188/1676492
title: Materials Data on Nb3Al2Mo3 by Materials Project

description: Nb3Mo3Al2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Nb is bonded in a distorted linear geometry to two equivalent Mo and four equivalent Al atoms. Both Nb–Mo bond lengths are 2.55 Å. There are two shorter (2.83 Å) and two longer (2.87 Å) Nb–Al bond lengths. Mo is bonded in a 2-coordinate geometry to two equivalent Nb and four equivalent Al atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Mo–Al bond lengths. Al is bonded to six equivalent Nb and six equivalent Mo atoms to form a mixture of edge and face-sharing AlNb6Mo6 cuboctahedra.
DOI: 10.17188/1676494
title: Materials Data on Li2Mn3NbO8 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: 10.17188/1676495
title: Materials Data on Ti3Co3O 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: 10.17188/1676496
title: Materials Data on Cs2LuAgCl6 by Materials Project

description: Cs2LuAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent LuCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All Cs–Cl bond lengths are 3.81 Å. Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.59 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent LuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.79 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Lu3+, and one Ag1+ atom.
DOI: 10.17188/1676498
title: Materials Data on SrCuTeF by Materials Project

description: SrCuTeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Sr–Te bond lengths are 3.44 Å. All Sr–F bond lengths are 2.53 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent FSr4Te4 tetrahedra, edges with two equivalent FSr4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Sr2+, four equivalent Cu1+, and four equivalent F1- atoms. All Te–F bond lengths are 3.69 Å. F1- is bonded to four equivalent Sr2+ and four equivalent Te2- atoms to form FSr4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent FSr4Te4 tetrahedra, and faces with four equivalent FSr4Te4 tetrahedra.
DOI: 10.17188/1676499
title: Materials Data on Ta2CrNO5 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: 10.17188/1676500
title: Materials Data on NaMoF6 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: 10.17188/1676501
title: Materials Data on Sb2XeF16 by Materials Project

description: XeF5Sb2F11 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Sb2F11 clusters and two XeF5 clusters. In each Sb2F11 cluster, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.08 Å. There are eleven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In each XeF5 cluster, Xe is bonded in a square pyramidal geometry to five F atoms. There is four shorter (1.96 Å) and one longer (1.97 Å) Xe–F bond length. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1676502
title: Materials Data on HfAlPt2 by Materials Project

description: HfPt2Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a distorted hexagonal planar geometry to six equivalent Pt atoms. All Hf–Pt bond lengths are 2.72 Å. Pt is bonded in a 8-coordinate geometry to three equivalent Hf, four equivalent Pt, and four equivalent Al atoms. There are one shorter (2.67 Å) and three longer (2.94 Å) Pt–Pt bond lengths. There are one shorter (2.63 Å) and three longer (2.96 Å) Pt–Al bond lengths. Al is bonded in a 2-coordinate geometry to eight equivalent Pt atoms.
DOI: 10.17188/1676503
title: Materials Data on Ca3BiAu14 by Materials Project

description: Ca3Au14Bi crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 12-coordinate geometry to sixteen Au+0.64- atoms. There are a spread of Ca–Au bond distances ranging from 3.26–3.48 Å. In the second Ca2+ site, Ca2+ is bonded in a 12-coordinate geometry to fifteen Au+0.64- atoms. There are a spread of Ca–Au bond distances ranging from 3.25–3.40 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to thirteen Au+0.64- atoms. There are a spread of Ca–Au bond distances ranging from 3.27–3.51 Å. There are eight inequivalent Au+0.64- sites. In the first Au+0.64- site, Au+0.64- is bonded to four Ca2+ and twelve Au+0.64- atoms to form distorted AuCa4Au12 tetrahedra that share faces with fifteen AuCa3BiAu8 cuboctahedra and faces with nine AuCa4Au12 tetrahedra. There are a spread of Au–Au bond distances ranging from 3.25–3.35 Å. In the second Au+0.64- site, Au+0.64- is bonded to four Ca2+ and twelve Au+0.64- atoms to form distorted AuCa4Au12 tetrahedra that share corners with three equivalent AuCa3BiAu8 cuboctahedra, a faceface with one AuCa3Bi3Au6 cuboctahedra, and faces with nine AuCa4Au12 tetrahedra. There are a spread of Au–Au bond distances ranging from 3.26–3.32 Å. In the third Au+0.64- site, Au+0.64- is bonded in a 12-coordinate geometry to three Ca2+, seven Au+0.64-, and two equivalent Bi3+ atoms. There are a spread of Au–Au bond distances ranging from 2.76–2.93 Å. Both Au–Bi bond lengths are 3.33 Å. In the fourth Au+0.64- site, Au+0.64- is bonded to three Ca2+, eight Au+0.64-, and one Bi3+ atom to form distorted AuCa3BiAu8 cuboctahedra that share corners with six AuCa3BiAu8 cuboctahedra, a cornercorner with one AuCa4Au12 tetrahedra, edges with two equivalent AuCa3BiAu8 cuboctahedra, faces with eleven AuCa3BiAu8 cuboctahedra, and faces with four equivalent AuCa4Au12 tetrahedra. There are a spread of Au–Au bond distances ranging from 2.76–2.90 Å. The Au–Bi bond length is 3.43 Å. In the fifth Au+0.64- site, Au+0.64- is bonded in a 12-coordinate geometry to three Ca2+ and nine Au+0.64- atoms. There are a spread of Au–Au bond distances ranging from 2.77–2.83 Å. In the sixth Au+0.64- site, Au+0.64- is bonded to three equivalent Ca2+, six Au+0.64-, and three equivalent Bi3+ atoms to form distorted AuCa3Bi3Au6 cuboctahedra that share corners with six equivalent AuCa3BiAu8 cuboctahedra, edges with six equivalent AuCa3Bi3Au6 cuboctahedra, faces with nine equivalent AuCa3BiAu8 cuboctahedra, and faces with four AuCa4Au12 tetrahedra. All Au–Bi bond lengths are 3.26 Å. In the seventh Au+0.64- site, Au+0.64- is bonded in a 12-coordinate geometry to three equivalent Ca2+ and nine Au+0.64- atoms. In the eighth Au+0.64- site, Au+0.64- is bonded in a 12-coordinate geometry to three equivalent Ca2+ and nine Au+0.64- atoms. Bi3+ is bonded in a 12-coordinate geometry to twelve Au+0.64- atoms.
DOI: 10.17188/1676504
title: Materials Data on PaTc2Ge by Materials Project

description: PaTc2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Pa–Tc bond lengths are 2.83 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa4+ and four equivalent Ge2+ atoms. All Tc–Ge bond lengths are 2.83 Å. Ge2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.
DOI: 10.17188/1676505
title: Materials Data on La2MnNiO6 by Materials Project

description: La2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Mn–O bond lengths are 1.94 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Ni–O bond lengths are 2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Ni4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one Mn2+, and one Ni4+ atom.
DOI: 10.17188/1676506
title: Materials Data on YbO3 by Materials Project

description: YbO3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Yb atoms. In the second O site, O is bonded in a 3-coordinate geometry to three equivalent Yb atoms. In the third O site, O is bonded to four equivalent Yb atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra.
DOI: 10.17188/1676507
title: Materials Data on Ce(BOs)2 by Materials Project

description: CeOs2B2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Os+1.50- atoms. All Ce–Os bond lengths are 3.01 Å. Os+1.50- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.17 Å) Os–B bond lengths. B is bonded in a 4-coordinate geometry to four equivalent Os+1.50- atoms.
DOI: 10.17188/1676508
title: Materials Data on Mn2O2F3 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: 10.17188/1676509
title: Materials Data on Li4VCr3O8 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: 10.17188/1676510
title: Materials Data on SmNi4B by Materials Project

description: SmNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Sm–Ni bond lengths are 2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Sm–Ni bond lengths are 2.92 Å. All Sm–B bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and nine Ni atoms. There are six shorter (2.53 Å) and three longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ni atoms.
DOI: 10.17188/1676511
title: Materials Data on Li2CdBi by Materials Project

description: Li2CdBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Bi atoms. All Li–Cd bond lengths are 3.01 Å. All Li–Bi bond lengths are 3.01 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1676512
title: Materials Data on RbSrCl3 by Materials Project

description: RbSrCl3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.27–3.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.99 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 25–33°. There are two shorter (2.87 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and two Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sr2+ atoms. In the third Cl1- site, Cl1- is bonded to two Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing ClRb2Sr2 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two equivalent Sr2+ atoms.
DOI: 10.17188/1676513
title: Materials Data on As2S2O9 by Materials Project

description: As2S2O9 crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of four As2S2O9 clusters. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.92 Å. In the second As5+ site, As5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.91 Å. There are two inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. In the second S4+ site, S4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.56 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one S4+ atom.
DOI: 10.17188/1676514
title: Materials Data on Rb(PRh)2 by Materials Project

description: Rb(RhP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to eight equivalent P atoms. All Rb–P bond lengths are 3.55 Å. Rh is bonded to four equivalent P atoms to form a mixture of corner and edge-sharing RhP4 tetrahedra. All Rh–P bond lengths are 2.35 Å. P is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Rh atoms.
DOI: 10.17188/1676515
title: Materials Data on MnFe2Ge by Materials Project

description: Fe2MnGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Fe2MnGe ribbons oriented in the (0, 1, 0) direction. Mn is bonded in a linear geometry to two equivalent Fe atoms. Both Mn–Fe bond lengths are 2.48 Å. Fe is bonded in a linear geometry to one Mn and one Ge atom. The Fe–Ge bond length is 2.27 Å. Ge is bonded in a linear geometry to two equivalent Fe atoms.