cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1269368
title: Materials Data on KLaPdO3 by Materials Project

description: KLaPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.04 Å. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.66 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.03–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+, two equivalent La3+, and one Pd2+ atom to form distorted OK3La2Pd octahedra that share corners with five equivalent OK2La3Pd octahedra and edges with eight OK3La2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to two equivalent K1+, three equivalent La3+, and one Pd2+ atom to form a mixture of distorted corner and edge-sharing OK2La3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent La3+, and two equivalent Pd2+ atoms.
DOI: 10.17188/1269369
title: Materials Data on Lu2O3 by Materials Project

description: Lu2O3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.18–2.51 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.68 Å. In the third Lu3+ site, Lu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Lu–O bond distances ranging from 2.14–2.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Lu3+ atoms to form distorted OLu4 trigonal pyramids that share a cornercorner with one OLu6 octahedra, corners with nine OLu4 tetrahedra, corners with two equivalent OLu5 trigonal bipyramids, corners with two equivalent OLu4 trigonal pyramids, edges with three equivalent OLu5 trigonal bipyramids, and edges with two equivalent OLu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 38°. In the second O2- site, O2- is bonded to five Lu3+ atoms to form distorted OLu5 trigonal bipyramids that share corners with seven OLu4 tetrahedra, corners with two equivalent OLu4 trigonal pyramids, edges with two equivalent OLu6 octahedra, edges with three OLu4 tetrahedra, edges with two equivalent OLu5 trigonal bipyramids, and edges with three equivalent OLu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share a cornercorner with one OLu6 octahedra, corners with four OLu4 tetrahedra, corners with five equivalent OLu5 trigonal bipyramids, corners with three equivalent OLu4 trigonal pyramids, edges with two equivalent OLu6 octahedra, edges with two equivalent OLu4 tetrahedra, and an edgeedge with one OLu5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the fourth O2- site, O2- is bonded to four Lu3+ atoms to form distorted OLu4 tetrahedra that share corners with two equivalent OLu6 octahedra, corners with four OLu4 tetrahedra, corners with two equivalent OLu5 trigonal bipyramids, corners with six equivalent OLu4 trigonal pyramids, an edgeedge with one OLu6 octahedra, an edgeedge with one OLu4 tetrahedra, and edges with two equivalent OLu5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fifth O2- site, O2- is bonded to six Lu3+ atoms to form OLu6 octahedra that share corners with six OLu4 tetrahedra, corners with two equivalent OLu4 trigonal pyramids, edges with two equivalent OLu6 octahedra, edges with six OLu4 tetrahedra, and edges with four equivalent OLu5 trigonal bipyramids.
DOI: 10.17188/1269370
title: Materials Data on SrH2(CO2)2 by Materials Project

description: Sr(HCOO)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.73 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C2+ atom.
DOI: 10.17188/1269371
title: Materials Data on Ti3O5 by Materials Project

description: Ti3O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–38°. There are a spread of Ti–O bond distances ranging from 1.88–2.18 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–57°. There are a spread of Ti–O bond distances ranging from 1.92–2.25 Å. In the third Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–57°. There are a spread of Ti–O bond distances ranging from 1.89–2.21 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Ti+3.33+ atoms. In the second O2- site, O2- is bonded to four Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the third O2- site, O2- is bonded in a T-shaped geometry to three Ti+3.33+ atoms. In the fourth O2- site, O2- is bonded to four Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing OTi4 tetrahedra. In the fifth O2- site, O2- is bonded to four Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids.
DOI: 10.15468/jkmsaf
title: Bryophila perloides Guenée, 1852 (Lepidoptera: Noctuidae: Bryophilinae), an overlooked member of the European Noctuidae fauna, with upgrading of Bryopsis Boursin, 1970 to generic level (Taxonomic studies on the western Palaearctic Bryophilinae, No. 1)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Vargas-Rodríguez, Suraya M., Fibiger, Michael, Honey, Martin R., Ronkay, Gábor, Yela, José Luis, Zilli, Alberto, Ronkay, László (2020): Bryophila perloides Guenée, 1852 (Lepidoptera: Noctuidae: Bryophilinae), an overlooked member of the European Noctuidae fauna, with upgrading of Bryopsis Boursin, 1970 to generic level (Taxonomic studies on the western Palaearctic Bryophilinae, No. 1). Zootaxa 4845 (1): 53-70, DOI: https://doi.org/10.11646/zootaxa.4845.1.4
DOI: 10.17188/1269372
title: Materials Data on SrU(SeO4)2 by Materials Project

description: SrU(SeO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrU(SeO4)2 sheet oriented in the (-1, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.18–2.62 Å. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.40 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.98 Å. In the second Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.84 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one Se4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to one U6+ and one Se4+ atom.
DOI: 10.17188/1269374
title: Materials Data on K2NaMoF6 by Materials Project

description: K2NaMoF6 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 F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent MoF6 octahedra. All K–F bond lengths are 3.08 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.26 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.09 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Mo3+ atom.
DOI: 10.17188/1269375
title: Materials Data on RbNiF3 by Materials Project

description: RbNiF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with nine RbF12 cuboctahedra, corners with three equivalent NiF6 octahedra, faces with seven RbF12 cuboctahedra, and faces with seven NiF6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are nine shorter (2.97 Å) and three longer (3.05 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight NiF6 octahedra. There are six shorter (2.97 Å) and six longer (3.00 Å) Rb–F bond lengths. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six F1- atoms to form NiF6 octahedra that share corners with three equivalent RbF12 cuboctahedra, corners with three equivalent NiF6 octahedra, faces with seven RbF12 cuboctahedra, and a faceface with one NiF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.04 Å) and three longer (2.05 Å) Ni–F bond lengths. In the second Ni2+ site, Ni2+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Ni–F bond lengths are 2.06 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four Rb1+ and two Ni2+ atoms. In the second F1- site, F1- is bonded in a distorted L-shaped geometry to four Rb1+ and two equivalent Ni2+ atoms.
DOI: 10.17188/1269376
title: Materials Data on Ta2SnO6 by Materials Project

description: SnTa2O6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Ta–O bond distances ranging from 1.89–2.17 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–55°. There are a spread of Ta–O bond distances ranging from 1.89–2.16 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.47 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Sn2+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Sn2+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta5+ atoms.
DOI: 10.17188/1269377
title: Materials Data on MnP4O11 (SG:14) 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: 10.17188/1269378
title: Materials Data on Sr10Al4Si6O by Materials Project

description: Sr10Al4Si6O crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted single-bond geometry to five Si and one O atom. There are four shorter (3.42 Å) and one longer (3.66 Å) Sr–Si bond lengths. The Sr–O bond length is 2.89 Å. In the second Sr site, Sr is bonded in a single-bond geometry to four equivalent Al, four equivalent Si, and one O atom. All Sr–Al bond lengths are 3.44 Å. All Sr–Si bond lengths are 3.44 Å. The Sr–O bond length is 2.50 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five Si atoms. Both Sr–Al bond lengths are 3.32 Å. There are a spread of Sr–Si bond distances ranging from 3.24–3.41 Å. In the fourth Sr site, Sr is bonded in a linear geometry to four equivalent Si and two equivalent O atoms. All Sr–Si bond lengths are 3.41 Å. Both Sr–O bond lengths are 2.42 Å. In the fifth Sr site, Sr is bonded to eight equivalent Al and four equivalent Si atoms to form face-sharing SrAl8Si4 cuboctahedra. All Sr–Al bond lengths are 3.46 Å. All Sr–Si bond lengths are 3.62 Å. Al is bonded in a distorted bent 120 degrees geometry to six Sr, one Al, and two Si atoms. The Al–Al bond length is 2.61 Å. There are one shorter (2.47 Å) and one longer (2.52 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sr and one Al atom. In the second Si site, Si is bonded in a 2-coordinate geometry to seven Sr and two equivalent Al atoms. O is bonded to six Sr atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1269379
title: Materials Data on RbNi2F6 by Materials Project

description: RbNi2F6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with twelve equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Rb–F bond lengths are 3.09 Å. Ni+2.50+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent RbF6 octahedra and corners with six equivalent NiF6 octahedra. The corner-sharing octahedra tilt angles range from 44–68°. All Ni–F bond lengths are 1.95 Å. F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Ni+2.50+ atoms.
DOI: 10.17188/1269380
title: Materials Data on Sr2Be2B2O7 by Materials Project

description: Sr2Be2B2O7 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share corners with six equivalent BeO4 tetrahedra. All Sr–O bond lengths are 2.53 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (2.79 Å) Sr–O bond lengths. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent SrO6 pentagonal pyramids and a cornercorner with one BeO4 tetrahedra. There is one shorter (1.58 Å) and three longer (1.66 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.
DOI: 10.17188/1269381
title: Materials Data on NClOF4 by Materials Project

description: NOClF4 is Tetraauricupride structured and crystallizes in the tetragonal I4cm space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four ClF4 clusters. In each ClF4 cluster, Cl is bonded in a rectangular see-saw-like geometry to four F atoms. There is two shorter (1.76 Å) and two longer (1.91 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom.
DOI: 10.17188/1269382
title: Materials Data on LiH3CO3 by Materials Project

description: LiCH3O3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. There are three 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.69 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one C2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two H1+ atoms.
DOI: 10.17188/1269383
title: Materials Data on Al2(WO4)3 (SG:14) 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: 10.17188/1269384
title: Materials Data on MnCdF5 by Materials Project

description: MnCdF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra, corners with four equivalent CdF7 pentagonal bipyramids, and edges with two equivalent CdF7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are a spread of Mn–F bond distances ranging from 1.87–2.12 Å. Cd2+ is bonded to seven F1- atoms to form distorted CdF7 pentagonal bipyramids that share corners with four equivalent MnF6 octahedra, edges with two equivalent MnF6 octahedra, and edges with two equivalent CdF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–37°. There are a spread of Cd–F bond distances ranging from 2.22–2.58 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mn3+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Mn3+ and one Cd2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Mn3+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1269385
title: Materials Data on UTiNb2O10 by Materials Project

description: UTiNb2O10 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. U6+ is bonded in a distorted linear geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent NbO5 trigonal bipyramids. There is four shorter (1.93 Å) and two longer (2.00 Å) Ti–O bond length. Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent TiO6 octahedra and corners with two equivalent NbO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–40°. There are a spread of Nb–O bond distances ranging from 1.81–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Ti4+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Ti4+ and one Nb5+ atom.