cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1759542
title: Materials Data on NdErFe17 by Materials Project

description: ErNdFe17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.27 Å. Nd is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Nd–Fe bond distances ranging from 3.04–3.30 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to one Er, one Nd, and ten Fe atoms to form FeNdErFe10 cuboctahedra that share corners with fourteen FeNdEr2Fe9 cuboctahedra, edges with six FeNdEr2Fe9 cuboctahedra, and faces with ten FeNdErFe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. In the second Fe site, Fe is bonded to two equivalent Er, one Nd, and nine Fe atoms to form FeNdEr2Fe9 cuboctahedra that share corners with fifteen FeNdErFe10 cuboctahedra, edges with eight FeNdEr2Fe9 cuboctahedra, and faces with ten FeNdErFe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.64 Å. In the third Fe site, Fe is bonded to one Er, two equivalent Nd, and nine Fe atoms to form FeNd2ErFe9 cuboctahedra that share corners with fifteen FeNdErFe10 cuboctahedra, edges with eight FeNdEr2Fe9 cuboctahedra, and faces with ten FeNdErFe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.55–2.65 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to one Er, one Nd, and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.76 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to one Nd and thirteen Fe atoms. The Fe–Fe bond length is 2.41 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to one Er and thirteen Fe atoms.
DOI: 10.17188/1759543
title: Materials Data on MgZn3 by Materials Project

description: MgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve Zn atoms to form MgZn12 cuboctahedra that share corners with six equivalent MgZn12 cuboctahedra, corners with twelve ZnMg4Zn8 cuboctahedra, edges with eighteen ZnMg4Zn8 cuboctahedra, faces with eight equivalent MgZn12 cuboctahedra, and faces with twelve ZnMg4Zn8 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.87 Å) Mg–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent MgZn12 cuboctahedra, corners with fourteen ZnMg4Zn8 cuboctahedra, edges with six equivalent MgZn12 cuboctahedra, edges with twelve ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with sixteen ZnMg4Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.76–2.96 Å. In the second Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent MgZn12 cuboctahedra, corners with fourteen ZnMg4Zn8 cuboctahedra, edges with six equivalent MgZn12 cuboctahedra, edges with twelve ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with sixteen ZnMg4Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.76–2.96 Å. In the third Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent MgZn12 cuboctahedra, corners with fourteen ZnMg4Zn8 cuboctahedra, edges with six equivalent MgZn12 cuboctahedra, edges with twelve ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with sixteen ZnMg4Zn8 cuboctahedra.
DOI: 10.17188/1759544
title: Materials Data on Ba4Bi2O by Materials Project

description: Ba4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to four Bi and two equivalent O atoms. There are two shorter (3.73 Å) and two longer (3.76 Å) Ba–Bi bond lengths. Both Ba–O bond lengths are 2.70 Å. In the second Ba site, Ba is bonded in a distorted single-bond geometry to five Bi and one O atom. There are one shorter (3.75 Å) and four longer (3.83 Å) Ba–Bi bond lengths. The Ba–O bond length is 2.79 Å. In the third Ba site, Ba is bonded to five Bi atoms to form a mixture of distorted corner and edge-sharing BaBi5 square pyramids. There are one shorter (3.50 Å) and four longer (3.87 Å) Ba–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ba atoms. O is bonded to five Ba atoms to form corner-sharing OBa5 square pyramids.
DOI: 10.17188/1759545
title: Materials Data on V4OF11 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: 10.17188/1759546
title: Materials Data on MgRe(PbO3)2 by Materials Project

description: MgRe(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.08 Å. Re6+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.94 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent MgO6 octahedra, and faces with four equivalent ReO6 octahedra. All Pb–O bond lengths are 2.84 Å. O2- is bonded in a linear geometry to one Mg2+, one Re6+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1759547
title: Materials Data on CeMg by Materials Project

description: CeMg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent MgCe3Mg9 cuboctahedra, corners with twelve equivalent CeCe9Mg3 cuboctahedra, edges with six equivalent CeCe9Mg3 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with eight equivalent CeCe9Mg3 cuboctahedra, and faces with twelve equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.22 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.44 Å. Ce is bonded to three equivalent Mg and nine equivalent Ce atoms to form CeCe9Mg3 cuboctahedra that share corners with six equivalent CeCe9Mg3 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent MgCe3Mg9 cuboctahedra, edges with twelve equivalent CeCe9Mg3 cuboctahedra, faces with eight equivalent MgCe3Mg9 cuboctahedra, and faces with twelve equivalent CeCe9Mg3 cuboctahedra. There are six shorter (3.15 Å) and three longer (3.61 Å) Ce–Ce bond lengths.
DOI: 10.17188/1759548
title: Materials Data on V2O3F 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: 10.17188/1759549
title: Materials Data on K by Materials Project

description: K crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one K ribbon oriented in the (0, 0, 1) direction. K is bonded in a linear geometry to two equivalent K atoms. Both K–K bond lengths are 4.22 Å.
DOI: 10.17188/1759550
title: Materials Data on Li3VSi4(HO6)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: 10.17188/1759551
title: Materials Data on AlRe by Materials Project

description: ReAl is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two ReAl sheets oriented in the (0, 0, 1) direction. Re is bonded in a 10-coordinate geometry to four equivalent Al atoms. All Re–Al bond lengths are 2.61 Å. Al is bonded in a 10-coordinate geometry to four equivalent Re atoms.
DOI: 10.17188/1759552
title: Materials Data on PrGeIr by Materials Project

description: PrIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ir and five equivalent Ge atoms. There are a spread of Pr–Ir bond distances ranging from 3.06–3.11 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.20 Å. Ir is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.54–2.65 Å. Ge is bonded in a 10-coordinate geometry to five equivalent Pr and four equivalent Ir atoms.
DOI: 10.17188/1759553
title: Materials Data on Nb6AlSi by Materials Project

description: Nb6AlSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Nb bond lengths are 3.17 Å. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Si atoms. Both Nb–Al bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.88 Å. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra.
DOI: 10.17188/1759554
title: Materials Data on LiAlVO4 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: 10.17188/1759555
title: Materials Data on Ca11(ReN5)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: 10.17188/1759556
title: Materials Data on DyCrS3 by Materials Project

description: DyCrS3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Dy–S bond distances ranging from 2.62–3.10 Å. In the second Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share a cornercorner with one CrS6 octahedra, corners with four equivalent CrS5 square pyramids, edges with two equivalent CrS6 octahedra, edges with two equivalent DyS7 pentagonal bipyramids, and an edgeedge with one CrS5 square pyramid. The corner-sharing octahedral tilt angles are 41°. There are a spread of Dy–S bond distances ranging from 2.74–2.93 Å. There are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with two equivalent DyS7 pentagonal bipyramids, edges with two equivalent CrS6 octahedra, and edges with four equivalent CrS5 square pyramids. There are two shorter (2.35 Å) and four longer (2.44 Å) Cr–S bond lengths. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share edges with two equivalent CrS6 octahedra and edges with four equivalent DyS7 pentagonal bipyramids. There are four shorter (2.43 Å) and two longer (2.44 Å) Cr–S bond lengths. In the third Cr3+ site, Cr3+ is bonded to five S2- atoms to form CrS5 square pyramids that share corners with four equivalent DyS7 pentagonal bipyramids, edges with two equivalent CrS6 octahedra, an edgeedge with one DyS7 pentagonal bipyramid, and edges with two equivalent CrS5 square pyramids. There are a spread of Cr–S bond distances ranging from 2.33–2.46 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Dy3+ and three Cr3+ atoms. In the second S2- site, S2- is bonded to four Dy3+ and one Cr3+ atom to form distorted SDy4Cr square pyramids that share a cornercorner with one SDy4Cr square pyramid, edges with two equivalent SDy4Cr square pyramids, and edges with four equivalent SDy2Cr2 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Dy3+ and three Cr3+ atoms. In the fourth S2- site, S2- is bonded to two Dy3+ and two equivalent Cr3+ atoms to form distorted SDy2Cr2 trigonal pyramids that share corners with four equivalent SDy2Cr2 trigonal pyramids, edges with four equivalent SDy4Cr square pyramids, and an edgeedge with one SDy2Cr2 trigonal pyramid. In the fifth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Dy3+ atoms. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1759557
title: Materials Data on LuN7O15 by Materials Project

description: Lu(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Lu(NO3)5 clusters. In each Lu(NO3)5 cluster, Lu3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Lu–O bond distances ranging from 2.36–2.51 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.22 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Lu3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Lu3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a distorted L-shaped geometry to one Lu3+ and one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Lu3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Lu3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Lu3+ and one N+3.86+ atom.
DOI: 10.17188/1759558
title: Materials Data on Cs2HgBr4 by Materials Project

description: Cs2HgBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–4.36 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.74–4.15 Å. Hg2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.65–2.68 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three Cs1+ and one Hg2+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to five Cs1+ and one Hg2+ atom. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to four Cs1+ and one Hg2+ atom. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one Hg2+ atom.
DOI: 10.25934/00005584.0
title: Available IPD datapackage for study 'A Randomized, Double-Blind, Parallel Group, International Study to Evaluate the Safety and Efficacy of Ocrelizumab Compared to Placebo in Patients With Active Rheumatoid Arthritis Continuing Methotrexate Treatment'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.25934/00005584.1
title: IPD datapackage for study 'A Randomized, Double-Blind, Parallel Group, International Study to Evaluate the Safety and Efficacy of Ocrelizumab Compared to Placebo in Patients With Active Rheumatoid Arthritis Continuing Methotrexate Treatment' and research request: 'Individualized Prediction of Treatment Response to Methotrexate in Patients with Rheumatoid Arthritis: A Machine Learning Approach - Myasoedova'

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.17188/1759560
title: Materials Data on Cs4Fe3F10 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: 10.17188/1759561
title: Materials Data on Li2Fe2Si3O10 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: 10.17188/1759562
title: Materials Data on ZnS 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: 10.17188/1759563
title: Materials Data on Mg3Zn by Materials Project

description: Mg3Zn1 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with four equivalent ZnMg12 cuboctahedra, corners with fourteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.13 Å. There are two shorter (3.03 Å) and two longer (3.06 Å) Mg–Zn bond lengths. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eighteen equivalent MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra.
DOI: 10.17188/1759564
title: Materials Data on Mn5(Si2O7)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: 10.17188/1759565
title: Materials Data on TiNi4GeO8 by Materials Project

description: TiNi4GeO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti4+ is bonded to four equivalent O2- atoms to form TiO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ti–O bond lengths are 1.85 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent TiO4 tetrahedra, corners with three equivalent GeO4 tetrahedra, and edges with six equivalent NiO6 octahedra. There are three shorter (2.07 Å) and three longer (2.10 Å) Ni–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ge–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ti4+ and three equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni2+ and one Ge4+ atom.