cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681849
title: Materials Data on NClO3 by Materials Project

description: ClONO2 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one ClONO2 sheet oriented in the (0, 0, 1) direction. N is bonded in a distorted single-bond geometry to one O and one Cl atom. The N–O bond length is 1.14 Å. The N–Cl bond length is 2.23 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent O and one Cl atom. Both O–O bond lengths are 1.91 Å. The O–Cl bond length is 1.87 Å. Cl is bonded in a T-shaped geometry to one N and two equivalent O atoms.
DOI: 10.17188/1681850
title: Materials Data on Ca5V3O13 by Materials Project

description: Ca5V3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.94 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.38 Å) and three longer (2.46 Å) Ca–O bond lengths. In the third Ca site, Ca is bonded to six O atoms to form distorted CaO6 pentagonal pyramids that share corners with six equivalent CaO6 pentagonal pyramids, corners with three equivalent VO4 tetrahedra, and an edgeedge with one VO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.34–2.50 Å. V is bonded to four O atoms to form VO4 tetrahedra that share corners with three equivalent CaO6 pentagonal pyramids and an edgeedge with one CaO6 pentagonal pyramid. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. There are five inequivalent O sites. In the first O site, O is bonded to three Ca and one V atom to form distorted edge-sharing OCa3V tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Ca atoms. In the third O site, O is bonded in a 4-coordinate geometry to three Ca and one V atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one V atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two Ca and one V atom.
DOI: 10.17188/1681851
title: Materials Data on Na3Ag by Materials Project

description: Na3Ag is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Ag atoms. All Na–Na bond lengths are 3.31 Å. All Na–Ag bond lengths are 3.31 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Ag atoms to form NaNa8Ag4 cuboctahedra that share corners with four equivalent NaNa8Ag4 cuboctahedra, corners with eight equivalent AgNa12 cuboctahedra, edges with eight equivalent NaNa8Ag4 cuboctahedra, faces with four equivalent NaNa8Ag4 cuboctahedra, and faces with six equivalent AgNa12 cuboctahedra. All Na–Ag bond lengths are 3.53 Å. Ag is bonded to twelve Na atoms to form AgNa12 cuboctahedra that share corners with four equivalent AgNa12 cuboctahedra, corners with eight equivalent NaNa8Ag4 cuboctahedra, edges with eight equivalent AgNa12 cuboctahedra, faces with four equivalent AgNa12 cuboctahedra, and faces with six equivalent NaNa8Ag4 cuboctahedra.
DOI: 10.17188/1681853
title: Materials Data on Na2VOF4 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: 10.17188/1681854
title: Materials Data on KGeN 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: 10.17188/1681855
title: Materials Data on DyHoC4 by Materials Project

description: HoDyC4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.45 Å) and eight longer (2.66 Å) Ho–C bond lengths. Dy3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.45 Å) and eight longer (2.66 Å) Dy–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four equivalent Ho3+, one Dy3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to one Ho3+, four equivalent Dy3+, and one C+1.50- atom. The C–C bond length is 1.31 Å.
DOI: 10.17188/1681856
title: Materials Data on LiTaWO7 by Materials Project

description: Li2O2(TaWO6)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of two Li2O2 ribbons oriented in the (1, 0, 0) direction and one TaWO6 framework. In each Li2O2 ribbon, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.92 Å. O is bonded in a bent 150 degrees geometry to two equivalent Li atoms. In the TaWO6 framework, Ta is bonded to six O atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–44°. There are four shorter (1.97 Å) and two longer (2.03 Å) Ta–O bond lengths. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There is four shorter (1.93 Å) and two longer (1.95 Å) W–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ta and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a 2-coordinate geometry to two equivalent Ta atoms.
DOI: 10.17188/1681857
title: Materials Data on GaFe3 by Materials Project

description: Fe3Ga is beta-prime cadmium gold-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six Fe and two equivalent Ga atoms. There are two shorter (2.47 Å) and four longer (2.57 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.57 Å. Ga is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.57 Å.
DOI: 10.17188/1681858
title: Materials Data on Li9Mn22O48 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: 10.17188/1681859
title: Materials Data on Li4Mn3Sn2Sb3O16 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: 10.17188/1681860
title: Materials Data on Lu2(Ga3Co)3 by Materials Project

description: Lu2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.94–3.02 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.50–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.48–2.56 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Lu, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Lu, three Co, and five Ga atoms. There are one shorter (2.68 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Lu, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.75 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Lu, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.
DOI: 10.17188/1681861
title: Materials Data on SrLaVFeO6 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: 10.17188/1681862
title: Materials Data on CrAg3ClO4 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: 10.17188/1681863
title: Materials Data on GdAlGa by Materials Project

description: GdGaAl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to six equivalent Ga and six equivalent Al atoms to form a mixture of face and edge-sharing GdAl6Ga6 cuboctahedra. All Gd–Ga bond lengths are 3.17 Å. All Gd–Al bond lengths are 3.17 Å. Ga is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Al atoms. All Ga–Al bond lengths are 2.57 Å. Al is bonded in a 3-coordinate geometry to six equivalent Gd and three equivalent Ga atoms.
DOI: 10.17188/1681864
title: Materials Data on Li2Cr2SnO6 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: 10.17188/1681865
title: Materials Data on LaAl3Cu by Materials Project

description: LaCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All La–Cu bond lengths are 3.36 Å. There are a spread of La–Al bond distances ranging from 3.21–3.45 Å. Cu is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.44 Å) and four longer (2.49 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent La, one Cu, and four equivalent Al atoms. All Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Cu, and two equivalent Al atoms.
DOI: 10.17188/1681866
title: Materials Data on CeScPd6 by Materials Project

description: CeScPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with four equivalent CePd12 cuboctahedra, corners with eight equivalent ScPd12 cuboctahedra, edges with eight equivalent PdSc4Pd8 cuboctahedra, faces with two equivalent ScPd12 cuboctahedra, and faces with four equivalent CePd12 cuboctahedra. There are four shorter (2.89 Å) and eight longer (2.92 Å) Ce–Pd bond lengths. Sc is bonded to twelve Pd atoms to form ScPd12 cuboctahedra that share corners with four equivalent ScPd12 cuboctahedra, corners with eight equivalent CePd12 cuboctahedra, faces with two equivalent CePd12 cuboctahedra, faces with four equivalent ScPd12 cuboctahedra, and faces with four equivalent PdSc4Pd8 cuboctahedra. There are eight shorter (2.85 Å) and four longer (2.89 Å) Sc–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded to four equivalent Sc and eight equivalent Pd atoms to form distorted PdSc4Pd8 cuboctahedra that share corners with four equivalent PdSc4Pd8 cuboctahedra, edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent ScPd12 cuboctahedra, and faces with four equivalent PdSc4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce, two equivalent Sc, and two equivalent Pd atoms.
DOI: 10.17188/1681867
title: Materials Data on BaVCdF7 by Materials Project

description: BaVCdF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.70–3.24 Å. V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of V–F bond distances ranging from 1.93–2.01 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with four equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Cd–F bond distances ranging from 2.20–2.36 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.22–2.73 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one V3+, and one Cd2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, one V3+, and one Cd2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one V3+, and one Cd2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one V3+, and one Cd2+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two Cd2+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, one V3+, and one Cd2+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one V3+ atom.
DOI: 10.17188/1681868
title: Materials Data on TaNiP by Materials Project

description: TaNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.59–2.62 Å. Ni is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Ni–P bond distances ranging from 2.29–2.33 Å. P is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Ni atoms.
DOI: 10.17188/1681869
title: Materials Data on LiV2(PO4)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: 10.17188/1681870
title: Materials Data on NaErCu2F8 by Materials Project

description: NaErCu2F8 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.43 Å. Er3+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Er–F bond lengths are 2.27 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. F1- is bonded in a distorted trigonal planar geometry to one Na1+, one Er3+, and one Cu2+ atom.
DOI: 10.17188/1681872
title: Materials Data on Cr(SnN)3 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: 10.17188/1681873
title: Materials Data on HoGa2Co3 by Materials Project

description: HoCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Ho–Co bond lengths are 2.84 Å. All Ho–Ga bond lengths are 3.40 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.22 Å) Ho–Co bond lengths. All Ho–Ga bond lengths are 3.07 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ho, four equivalent Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoHo4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.46 Å. All Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Ho, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.41 Å. Ga is bonded in a 12-coordinate geometry to four Ho, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.81 Å.
DOI: 10.17188/1681874
title: Materials Data on Am2O3 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: 10.17188/1681875
title: Materials Data on Mo(Br2N)2 by Materials Project

description: Mo(NBr2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo6+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Mo–Br bond lengths are 2.46 Å. N1- is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.52 Å) and four longer (3.70 Å) N–Br bond lengths. Br1- is bonded in a single-bond geometry to one Mo6+ and four equivalent N1- atoms.
DOI: 10.17188/1681876
title: Materials Data on SrCa3Ag4 by Materials Project

description: SrCa3Ag4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Sr–Ag bond distances ranging from 3.29–3.33 Å. There are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.14–3.26 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.15–3.45 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.20–3.26 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to one Sr, six Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.91 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to two equivalent Sr, five Ca, and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.97 Å. In the third Ag site, Ag is bonded in a 9-coordinate geometry to four equivalent Sr, three Ca, and two equivalent Ag atoms. In the fourth Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.
DOI: 10.17188/1681877
title: Materials Data on Nb2GaCo3 by Materials Project

description: Nb2Co3Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Ga atoms. There are one shorter (2.93 Å) and three longer (2.98 Å) Nb–Nb bond lengths. There are three shorter (2.73 Å) and six longer (2.86 Å) Nb–Co bond lengths. All Nb–Ga bond lengths are 2.87 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Ga atoms to form CoNb6Ga2Co4 cuboctahedra that share corners with four equivalent GaNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Ga2Co4 cuboctahedra, edges with six equivalent CoNb6Ga2Co4 cuboctahedra, faces with six equivalent GaNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Ga2Co4 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.55 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.42 Å. Ga is bonded to six equivalent Nb and six equivalent Co atoms to form GaNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Ga2Co4 cuboctahedra, edges with six equivalent GaNb6Co6 cuboctahedra, faces with two equivalent GaNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Ga2Co4 cuboctahedra.
DOI: 10.17188/1681878
title: Materials Data on V3FeCo2(PO4)6 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: 10.17188/1681880
title: Materials Data on MnZnNi2 by Materials Project

description: MnNi2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.50 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Zn atoms. All Ni–Zn bond lengths are 2.50 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1681881
title: Materials Data on SrNdO3 by Materials Project

description: SrNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Sr–O bond lengths are 3.18 Å. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.25 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Nd atoms.