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DOE OSTI2020

Materials Data on RbTa2O6 by Materials Project

RbTa2O6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (3.02 Å) and one longer (3.06 Å) Rb–O bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. There are a spread of Ta–O bond distances ranging from 1.98–2.01 Å. In the second Ta site, Ta is bonded to six O atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. There are a spread of Ta–O bond distances ranging from 1.98–2.00 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two equivalent Ta atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Ta atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Ta atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two Ta atoms.

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Materials Data on Ta3Co2Mo by Materials Project

Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to three equivalent Mo and four equivalent Co atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.61 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Mo and four equivalent Co atoms. There are two shorter (3.13 Å) and two longer (3.23 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.58 Å. Mo is bonded in a 1-coordinate geometry to eleven Ta and four equivalent Co atoms. All Mo–Co bond lengths are 2.61 Å. Co is bonded in a 10-coordinate geometry to six Ta, two equivalent Mo, and two equivalent Co atoms. Both Co–Co bond lengths are 2.47 Å.

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Materials Data on Ta3As by Materials Project

Ta3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent As atoms. There are one shorter (2.64 Å) and one longer (2.68 Å) Ta–As bond lengths. In the second Ta site, Ta is bonded in a distorted see-saw-like geometry to four equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.63–2.68 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.61–2.91 Å. As is bonded in a 9-coordinate geometry to nine Ta atoms.

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Materials Data on Ta5GeB2 by Materials Project

Ta5GeB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to three equivalent B and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing TaGe2B3 trigonal bipyramids. There are two shorter (2.42 Å) and one longer (2.48 Å) Ta–B bond lengths. Both Ta–Ge bond lengths are 2.69 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent B and two equivalent Ge atoms. All Ta–B bond lengths are 2.50 Å. Both Ta–Ge bond lengths are 2.92 Å. B is bonded in a 9-coordinate geometry to eight Ta and one B atom. The B–B bond length is 2.15 Å. Ge is bonded in a 10-coordinate geometry to ten Ta atoms.

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Materials Data on PmTa3 by Materials Project

PmTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (3.00 Å) and six longer (3.46 Å) Pm–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Pm and four equivalent Ta atoms. All Ta–Ta bond lengths are 3.00 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Pm and eight equivalent Ta atoms.

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Materials Data on TbTa3 by Materials Project

TbTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.98 Å) and six longer (3.44 Å) Tb–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Tb and four equivalent Ta atoms to form a mixture of distorted face, edge, and corner-sharing TaTb4Ta4 tetrahedra. All Ta–Ta bond lengths are 2.98 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Ta atoms.

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Materials Data on Ta4AlN3 by Materials Project

Ta4AlN3 is MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to six N atoms to form a mixture of distorted edge and corner-sharing TaN6 pentagonal pyramids. There are three shorter (2.21 Å) and three longer (2.23 Å) Ta–N bond lengths. In the second Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Ta–Al bond lengths are 2.81 Å. All Ta–N bond lengths are 2.23 Å. Al is bonded to six equivalent Ta and six equivalent Al atoms to form distorted AlTa6Al6 cuboctahedra that share corners with six equivalent AlTa6Al6 cuboctahedra, corners with six equivalent NTa6 octahedra, edges with six equivalent AlTa6Al6 cuboctahedra, edges with six equivalent NTa6 octahedra, and faces with six equivalent AlTa6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. All Al–Al bond lengths are 2.98 Å. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Ta atoms to form a mixture of edge, face, and corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second N site, N is bonded to six Ta atoms to form NTa6 octahedra that share corners with three equivalent AlTa6Al6 cuboctahedra, corners with six equivalent NTa6 octahedra, edges with three equivalent AlTa6Al6 cuboctahedra, edges with six equivalent NTa6 octahedra, and a faceface with one NTa6 octahedra. The corner-sharing octahedral tilt angles are 46°.

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Materials Data on Ta3B2Ru5 by Materials Project

Ta3Ru5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to ten Ru and three equivalent B atoms. There are a spread of Ta–Ru bond distances ranging from 2.80–2.96 Å. There are one shorter (2.71 Å) and two longer (2.86 Å) Ta–B bond lengths. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.65 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to six Ta and two equivalent B atoms. Both Ru–B bond lengths are 2.19 Å. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four equivalent Ta and four equivalent B atoms. All Ru–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Ta and six Ru atoms.

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Materials Data on Ta3Co5B2 by Materials Project

Ta3Co5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ta–Co bond lengths are 2.53 Å. In the second Ta site, Ta is bonded in a 1-coordinate geometry to ten Co and three equivalent B atoms. There are a spread of Ta–Co bond distances ranging from 2.64–2.76 Å. There are one shorter (2.46 Å) and two longer (2.51 Å) Ta–B bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ta, four equivalent Co, and four equivalent B atoms to form distorted face-sharing CoTa4Co4B4 cuboctahedra. All Co–Co bond lengths are 2.42 Å. All Co–B bond lengths are 2.15 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six Ta, four Co, and two equivalent B atoms. There are one shorter (2.49 Å) and two longer (2.74 Å) Co–Co bond lengths. Both Co–B bond lengths are 2.15 Å. B is bonded in a 9-coordinate geometry to three equivalent Ta and six Co atoms.

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Materials Data on MgTa3 by Materials Project

MgTa3 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 Ta atoms to form MgTa12 cuboctahedra that share corners with six equivalent MgTa12 cuboctahedra, corners with twelve TaMg4Ta8 cuboctahedra, edges with eighteen TaMg4Ta8 cuboctahedra, faces with eight equivalent MgTa12 cuboctahedra, and faces with twelve TaMg4Ta8 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Mg–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Mg and eight Ta atoms to form TaMg4Ta8 cuboctahedra that share corners with four equivalent MgTa12 cuboctahedra, corners with fourteen TaMg4Ta8 cuboctahedra, edges with six equivalent MgTa12 cuboctahedra, edges with twelve TaMg4Ta8 cuboctahedra, faces with four equivalent MgTa12 cuboctahedra, and faces with sixteen TaMg4Ta8 cuboctahedra. There are a spread of Ta–Ta bond distances ranging from 2.90–3.05 Å. In the second Ta site, Ta is bonded to four equivalent Mg and eight equivalent Ta atoms to form TaMg4Ta8 cuboctahedra that share corners with four equivalent MgTa12 cuboctahedra, corners with fourteen TaMg4Ta8 cuboctahedra, edges with six equivalent MgTa12 cuboctahedra, edges with twelve equivalent TaMg4Ta8 cuboctahedra, faces with four equivalent MgTa12 cuboctahedra, and faces with sixteen TaMg4Ta8 cuboctahedra.

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Materials Data on DyTa3 by Materials Project

DyTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.98 Å) and six longer (3.44 Å) Dy–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Dy and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.98 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Dy and eight equivalent Ta atoms.

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Materials Data on NdTa3 by Materials Project

NdTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (3.00 Å) and six longer (3.47 Å) Nd–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ta atoms. All Ta–Ta bond lengths are 3.00 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Nd and eight equivalent Ta atoms.

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Materials Data on Ta3N by Materials Project

Ta3N is H-Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Ta atoms to form TaTa12 cuboctahedra that share corners with six equivalent TaTa12 cuboctahedra, corners with twelve equivalent NTa6 octahedra, edges with six equivalent TaTa12 cuboctahedra, faces with six equivalent TaTa12 cuboctahedra, and faces with two equivalent NTa6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are six shorter (3.01 Å) and six longer (3.03 Å) Ta–Ta bond lengths. In the second Ta site, Ta is bonded in a distorted T-shaped geometry to three equivalent Ta and three equivalent N atoms. All Ta–N bond lengths are 2.19 Å. N is bonded to six equivalent Ta atoms to form NTa6 octahedra that share corners with twelve equivalent TaTa12 cuboctahedra, edges with six equivalent NTa6 octahedra, and faces with two equivalent TaTa12 cuboctahedra.

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Materials Data on Ta3Se12I by Materials Project

Ta3Se12I crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are two inequivalent Ta+4.33+ sites. In the first Ta+4.33+ site, Ta+4.33+ is bonded to eight Se1- atoms to form distorted face-sharing TaSe8 hexagonal bipyramids. There are a spread of Ta–Se bond distances ranging from 2.65–2.75 Å. In the second Ta+4.33+ site, Ta+4.33+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.59 Å) and four longer (2.77 Å) Ta–Se bond lengths. There are four inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.33+ and one I1- atom. The Se–I bond length is 3.35 Å. In the second Se1- site, Se1- is bonded in a 2-coordinate geometry to two equivalent Ta+4.33+ and one Se1- atom. The Se–Se bond length is 2.38 Å. In the third Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.33+ atoms. In the fourth Se1- site, Se1- is bonded in a 2-coordinate geometry to two equivalent Ta+4.33+, one Se1-, and two equivalent I1- atoms. Both Se–I bond lengths are 4.01 Å. I1- is bonded in a 4-coordinate geometry to eight Se1- atoms.

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Materials Data on Ta2CN by Materials Project

Ta2CN is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ta+3.50+ sites. In the first Ta+3.50+ site, Ta+3.50+ is bonded to two equivalent C4- and four equivalent N3- atoms to form a mixture of corner and edge-sharing TaC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ta–C bond lengths are 2.23 Å. All Ta–N bond lengths are 2.23 Å. In the second Ta+3.50+ site, Ta+3.50+ is bonded to four equivalent C4- and two equivalent N3- atoms to form TaC4N2 octahedra that share corners with six equivalent TaC4N2 octahedra and edges with twelve TaC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.23 Å. Both Ta–N bond lengths are 2.23 Å. C4- is bonded to six Ta+3.50+ atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra, edges with four equivalent CTa6 octahedra, and edges with eight equivalent NTa6 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to six Ta+3.50+ atoms to form NTa6 octahedra that share corners with six equivalent NTa6 octahedra, edges with four equivalent NTa6 octahedra, and edges with eight equivalent CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on MgTa3 by Materials Project

MgTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.89 Å) and six longer (3.33 Å) Mg–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.89 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Ta atoms.

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Materials Data on Sc4TaFe19P12 by Materials Project

Sc4TaFe19P12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to six P atoms. There are four shorter (2.74 Å) and two longer (2.81 Å) Sc–P bond lengths. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six P atoms. There are a spread of Sc–P bond distances ranging from 2.71–2.84 Å. In the third Sc site, Sc is bonded in a 6-coordinate geometry to six P atoms. There are a spread of Sc–P bond distances ranging from 2.73–2.80 Å. In the fourth Sc site, Sc is bonded in a 6-coordinate geometry to six P atoms. There are a spread of Sc–P bond distances ranging from 2.70–2.76 Å. Ta is bonded in a 5-coordinate geometry to eight Fe and five P atoms. There are a spread of Ta–Fe bond distances ranging from 2.61–2.81 Å. There are a spread of Ta–P bond distances ranging from 2.49–2.61 Å. There are nineteen inequivalent Fe sites. In the first Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.18–2.33 Å. In the second Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.32 Å. In the third Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent Ta and four P atoms. There are a spread of Fe–P bond distances ranging from 2.28–2.41 Å. In the fourth Fe site, Fe is bonded to four P atoms to form distorted FeP4 tetrahedra that share corners with twelve FeP4 tetrahedra and edges with three FeTaP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.31 Å. In the fifth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.33 Å. In the sixth Fe site, Fe is bonded to one Ta and four P atoms to form distorted FeTaP4 tetrahedra that share corners with six FeP4 tetrahedra, edges with four FeP4 tetrahedra, and faces with two equivalent FeTa2P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.28 Å. In the seventh Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.28–2.32 Å. In the eighth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.21–2.28 Å. In the ninth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.20–2.28 Å. In the tenth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.19–2.27 Å. In the eleventh Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.18–2.28 Å. In the twelfth Fe site, Fe is bonded to two equivalent Ta and four P atoms to form distorted FeTa2P4 tetrahedra that share corners with eight FeP4 tetrahedra, edges with six FeTaP4 tetrahedra, and a faceface with one FeTa2P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.36 Å. In the thirteenth Fe site, Fe is bonded in a 4-coordinate geometry to one Ta and four P atoms. There are a spread of Fe–P bond distances ranging from 2.16–2.23 Å. In the fourteenth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.17–2.23 Å. In the fifteenth Fe site, Fe is bonded to two equivalent Ta and four P atoms to form distorted FeTa2P4 tetrahedra that share corners with six FeP4 tetrahedra, edges with two equivalent FeTa2P4 tetrahedra, and faces with three FeTa2P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.20–2.27 Å. In the sixteenth Fe site, Fe is bonded to four P atoms to form a mixture of distorted corner and edge-sharing FeP4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.23 Å) Fe–P bond lengths. In the seventeenth Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.28–2.54 Å. In the eighteenth Fe site, Fe is bonded in a 1-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.56 Å. In the nineteenth Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.27–2.52 Å. There are twelve inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Sc, two equivalent Ta, and five Fe atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the seventh P site, P is bonded in a 9-coordinate geometry to two equivalent Sc, two equivalent Ta, and five Fe atoms. In the eighth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the ninth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the tenth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc, one Ta, and six Fe atoms. In the eleventh P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms. In the twelfth P site, P is bonded in a 9-coordinate geometry to two equivalent Sc and seven Fe atoms.

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Materials Data on Ta4AlN3 by Materials Project

Ta4AlN3 is MAX Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to six N atoms to form a mixture of edge and corner-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.18 Å) and three longer (2.23 Å) Ta–N bond lengths. In the second Ta site, Ta is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent N atoms. All Ta–Al bond lengths are 2.83 Å. All Ta–N bond lengths are 2.20 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ta atoms. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Ta atoms to form a mixture of edge and corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second N site, N is bonded to six Ta atoms to form a mixture of edge and corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 2°.

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