cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3856676
title: Supplementary data for "The subgenual organ complex in stick insects: Functional morphology and mechanical coupling of a complex mechanosensory organ"

description: µCT-scans of the upper tibial regions of the foreleg (T1) and the midleg (T2) of <em>Ramulus artemis</em> (Westwood, 1859), <em>Carausius morosus</em> (Sinéty, 1901), and <em>Sipyloidea sipylus</em> (Westwood, 1859). For use of scans, please cite the following publication: Strauß, J., Moritz, L. & Rühr, P.T. (<strong>2021</strong>): The subgenual organ complex in stick insects: Functional morphology and mechanical coupling of a complex mechanosensory organ. <em>Frontiers in Ecology and Evolution (Research Topic “Evolutionary Biomechanics of Sound Production and Reception”)</em>. doi: 10.3389/fevo.2021.632493. All scans were performed with a commercial μCT desktop system (Skyscan 1272, Bruker microCT, Kontich, Belgium) at the Zoological Research Museum Alexander Koenig, Leibniz Institute for Animal Biodiversity, Bonn, Germany. <strong>µCT scan settings of all samples:</strong> <em>Ramulus artemis:</em> tube voltage = 30 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1980 ms binning = 1x1 averaging = 8 random movement = 15 px voxel size = 1.8 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Ramulus_artemis_T1.tif; Ramulus_artemis_T2.tif <em>Carausius morosus:</em> tube voltage = 29 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1900 ms binning = 1x1 averaging = 5 random movement = 15 px voxel size = 1.0 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Carausius_morosus_T1.tif; Carausius_morosus_T2.tif <em>Sipyloidea sipylus:</em> tube voltage = 29 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1900 ms binning = 1x1 averaging = 7 random movement = 15 px voxel size = 1.8 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Sipyloidea_sipylus_T1.tif; Sipyloidea_sipylus_T2.tif
description: Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – STR 1329/2-1.
DOI: 10.17188/1685806
title: Materials Data on Ca11YAl15Cr4SiO48 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: 10.5281/zenodo.3856675
title: Supplementary data for "The subgenual organ complex in stick insects: Functional morphology and mechanical coupling of a complex mechanosensory organ"

description: µCT-scans of the upper tibial regions of the foreleg (T1) and the midleg (T2) of <em>Ramulus artemis</em> (Westwood, 1859), <em>Carausius morosus</em> (Sinéty, 1901), and <em>Sipyloidea sipylus</em> (Westwood, 1859). For use of scans, please cite the following publication: Strauß, J., Moritz, L. & Rühr, P.T. (<strong>2021</strong>): The subgenual organ complex in stick insects: Functional morphology and mechanical coupling of a complex mechanosensory organ. <em>Frontiers in Ecology and Evolution (Research Topic “Evolutionary Biomechanics of Sound Production and Reception”)</em>. doi: 10.3389/fevo.2021.632493. All scans were performed with a commercial μCT desktop system (Skyscan 1272, Bruker microCT, Kontich, Belgium) at the Zoological Research Museum Alexander Koenig, Leibniz Institute for Animal Biodiversity, Bonn, Germany. <strong>µCT scan settings of all samples:</strong> <em>Ramulus artemis:</em> tube voltage = 30 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1980 ms binning = 1x1 averaging = 8 random movement = 15 px voxel size = 1.8 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Ramulus_artemis_T1.tif; Ramulus_artemis_T2.tif <em>Carausius morosus:</em> tube voltage = 29 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1900 ms binning = 1x1 averaging = 5 random movement = 15 px voxel size = 1.0 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Carausius_morosus_T1.tif; Carausius_morosus_T2.tif <em>Sipyloidea sipylus:</em> tube voltage = 29 kV ube current = 200 μA target = tungsten no filter total sample rotation = 360° angular step size = 0.2° exposure time = 1900 ms binning = 1x1 averaging = 7 random movement = 15 px voxel size = 1.8 μm fixation: Bouin's solution (24 hours) staining: 0.3% PTA (21 days) storage: 70% EtOH surrounding medium in scan: 70% EtOH filenames: Sipyloidea_sipylus_T1.tif; Sipyloidea_sipylus_T2.tif
description: Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – STR 1329/2-1.
DOI: 10.17188/1685807
title: Materials Data on NbSb3O8 by Materials Project

description: NbSb3O8 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent SbO6 octahedra, a cornercorner with one SbO5 square pyramid, and an edgeedge with one SbO5 square pyramid. The corner-sharing octahedra tilt angles range from 36–46°. There are a spread of Nb–O bond distances ranging from 1.92–2.11 Å. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with three equivalent SbO5 square pyramids. The corner-sharing octahedra tilt angles range from 36–46°. There are a spread of Sb–O bond distances ranging from 1.97–2.08 Å. In the second Sb+3.67+ site, Sb+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.64 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded to five O2- atoms to form distorted SbO5 square pyramids that share a cornercorner with one NbO6 octahedra, corners with three equivalent SbO6 octahedra, and an edgeedge with one NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Sb–O bond distances ranging from 2.06–2.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two Sb+3.67+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two Sb+3.67+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one Sb+3.67+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one Sb+3.67+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Nb5+ and two Sb+3.67+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two Sb+3.67+ atoms.
DOI: 10.17188/1685808
title: Materials Data on Hf2(Ni7B2)3 by Materials Project

description: Hf2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded to sixteen Ni atoms to form distorted HfNi16 tetrahedra that share edges with six equivalent HfNi16 tetrahedra and faces with four equivalent NiNi12 cuboctahedra. There are four shorter (2.49 Å) and twelve longer (2.90 Å) Hf–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to twelve equivalent Ni atoms to form NiNi12 cuboctahedra that share faces with eight equivalent HfNi16 tetrahedra. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded to one Hf and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiHfB3 tetrahedra. All Ni–B bond lengths are 2.12 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Hf, one Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.07 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.
DOI: 10.17188/1685809
title: Materials Data on Yb2MgSe4 by Materials Project

description: MgYb2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five Se2- atoms to form MgSe5 square pyramids that share corners with four YbSe6 octahedra, edges with four YbSe6 octahedra, and edges with four equivalent MgSe5 square pyramids. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Mg–Se bond distances ranging from 2.69–2.90 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with three equivalent YbSe6 octahedra, corners with two equivalent MgSe5 square pyramids, edges with six YbSe6 octahedra, and an edgeedge with one MgSe5 square pyramid. The corner-sharing octahedra tilt angles range from 55–74°. There are a spread of Yb–Se bond distances ranging from 2.82–3.14 Å. In the second Yb3+ site, Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with three equivalent YbSe6 octahedra, corners with two equivalent MgSe5 square pyramids, edges with four YbSe6 octahedra, and edges with three equivalent MgSe5 square pyramids. The corner-sharing octahedra tilt angles range from 55–74°. There are a spread of Yb–Se bond distances ranging from 2.77–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Mg2+ and two equivalent Yb3+ atoms to form SeYb2Mg3 square pyramids that share corners with two equivalent SeYb4 tetrahedra and edges with four equivalent SeYb2Mg3 square pyramids. In the second Se2- site, Se2- is bonded to four Yb3+ atoms to form SeYb4 tetrahedra that share corners with two equivalent SeYb2Mg3 square pyramids, corners with two equivalent SeYb4 tetrahedra, and edges with two equivalent SeYb4 tetrahedra. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Yb3+ and one Se2- atom. The Se–Se bond length is 2.65 Å. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Mg2+, three Yb3+, and one Se2- atom.
DOI: 10.17188/1685810
title: Materials Data on VGeO4 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: 10.17188/1685812
title: Materials Data on HfMnCo2 by Materials Project

description: HfMnCo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfMnCo2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Co atoms. Both Hf–Co bond lengths are 2.12 Å. Mn is bonded in a linear geometry to two equivalent Co atoms. Both Mn–Co bond lengths are 2.45 Å. Co is bonded in a linear geometry to one Hf and one Mn atom.
DOI: 10.17188/1685813
title: Materials Data on Rb5(FeO2)3 by Materials Project

description: Rb5(FeO2)3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form corner-sharing RbO4 tetrahedra. All Rb–O bond lengths are 2.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.36 Å. There are two inequivalent Fe+2.33+ sites. In the first Fe+2.33+ site, Fe+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.94 Å) Fe–O bond length. In the second Fe+2.33+ site, Fe+2.33+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Fe–O bond lengths are 1.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Fe+2.33+ atoms. In the second O2- site, O2- is bonded to five Rb1+ and one Fe+2.33+ atom to form a mixture of distorted edge and corner-sharing ORb5Fe octahedra. The corner-sharing octahedral tilt angles are 65°.
DOI: 10.17188/1685814
title: Materials Data on Cs2TlPdF6 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: 10.17188/1685815
title: Materials Data on Sr2AgPd by Materials Project

description: Sr2PdAg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sr2PdAg ribbons oriented in the (1, 0, 0) direction. Sr is bonded in a linear geometry to one Pd and one Ag atom. The Sr–Pd bond length is 2.72 Å. The Sr–Ag bond length is 3.17 Å. Pd is bonded in a linear geometry to two equivalent Sr atoms. Ag is bonded in a linear geometry to two equivalent Sr atoms.
DOI: 10.17188/1685816
title: Materials Data on Sr2ZnPb by Materials Project

description: Sr2ZnPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sr2ZnPb ribbons oriented in the (1, 0, 0) direction. Sr is bonded in a linear geometry to one Zn and one Pb atom. The Sr–Zn bond length is 3.46 Å. The Sr–Pb bond length is 3.33 Å. Zn is bonded in a linear geometry to two equivalent Sr atoms. Pb is bonded in a linear geometry to two equivalent Sr atoms.
DOI: 10.17188/1685817
title: Materials Data on ZrVMo by Materials Project

description: ZrVMo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to six equivalent V and six equivalent Mo atoms. All Zr–V bond lengths are 3.10 Å. There are two shorter (3.10 Å) and four longer (3.13 Å) Zr–Mo bond lengths. V is bonded to six equivalent Zr, two equivalent V, and four equivalent Mo atoms to form distorted VZr6V2Mo4 cuboctahedra that share corners with eight equivalent MoZr6V4Mo2 cuboctahedra, corners with ten equivalent VZr6V2Mo4 cuboctahedra, edges with six equivalent VZr6V2Mo4 cuboctahedra, faces with six equivalent VZr6V2Mo4 cuboctahedra, and faces with twelve equivalent MoZr6V4Mo2 cuboctahedra. Both V–V bond lengths are 2.68 Å. All V–Mo bond lengths are 2.65 Å. Mo is bonded to six equivalent Zr, four equivalent V, and two equivalent Mo atoms to form distorted MoZr6V4Mo2 cuboctahedra that share corners with eight equivalent VZr6V2Mo4 cuboctahedra, corners with ten equivalent MoZr6V4Mo2 cuboctahedra, edges with six equivalent MoZr6V4Mo2 cuboctahedra, faces with six equivalent MoZr6V4Mo2 cuboctahedra, and faces with twelve equivalent VZr6V2Mo4 cuboctahedra. Both Mo–Mo bond lengths are 2.64 Å.
DOI: 10.17188/1685818
title: Materials Data on RhWN5ClO4 by Materials Project

description: WRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four WRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.18 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.69–2.09 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a bent 150 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Rh4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted L-shaped geometry to one Rh4+ and one O2- atom. The N–O bond length is 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent N+0.20- atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent N+0.20- atoms.
DOI: 10.17188/1685820
title: Materials Data on ErIrO3 by Materials Project

description: ErIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er3+ is bonded to twelve equivalent O2- atoms to form ErO12 cuboctahedra that share corners with twelve equivalent ErO12 cuboctahedra, faces with six equivalent ErO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Er–O bond lengths are 2.80 Å. Ir3+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent ErO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Er3+ and two equivalent Ir3+ atoms.
DOI: 10.17188/1685821
title: Materials Data on Ho2CuGe4 by Materials Project

description: Ho2CuGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 3.00–3.16 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All Ho–Cu bond lengths are 3.11 Å. There are a spread of Ho–Ge bond distances ranging from 3.08–3.33 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.34–2.46 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Ho, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.86 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Ho, two equivalent Cu, and four equivalent Ge atoms. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms.
DOI: 10.17188/1685822
title: Materials Data on KDyS2O9 by Materials Project

description: KDyS2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.90–3.24 Å. Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.32–2.43 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one K, one Dy, and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to one K, one Dy, and one S atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Dy, and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one K, one Dy, and one S atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one K, one Dy, and one S atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one K, one Dy, and one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Dy, and one S atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Dy atom.
DOI: 10.17188/1685823
title: Materials Data on Cs2TlAsF6 by Materials Project

description: Cs2TlAsF6 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 F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent TlF6 octahedra, and faces with four equivalent AsF6 octahedra. All Cs–F bond lengths are 3.40 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.71 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.08 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Tl1+, and one As3+ atom.
DOI: 10.17188/1685824
title: Materials Data on Rb2TbAgCl6 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: 10.17188/1685825
title: Materials Data on La2MnP2O by Materials Project

description: La2MnP2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one La2MnP2O ribbon oriented in the (0, 0, 1) direction. La3+ is bonded in a distorted linear geometry to one P3- and one O2- atom. The La–P bond length is 2.93 Å. The La–O bond length is 2.11 Å. Mn2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Mn–P bond lengths are 2.35 Å. P3- is bonded in a linear geometry to one La3+ and one Mn2+ atom. O2- is bonded in a linear geometry to two equivalent La3+ atoms.
DOI: 10.17188/1685826
title: Materials Data on MgTiPt2 by Materials Project

description: MgTiPt2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgTiPt2 ribbons oriented in the (1, 0, 0) direction. Mg2+ is bonded in a linear geometry to two equivalent Pt2- atoms. Both Mg–Pt bond lengths are 2.62 Å. Ti2+ is bonded in a linear geometry to two equivalent Pt2- atoms. Both Ti–Pt bond lengths are 2.24 Å. Pt2- is bonded in a linear geometry to one Mg2+ and one Ti2+ atom.
DOI: 10.17188/1685828
title: Materials Data on NaReN2 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: 10.17188/1685829
title: Materials Data on LiFeO2 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