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TaVMo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaVMo2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Mo atoms. Both Ta–Mo bond lengths are 2.31 Å. V is bonded in a linear geometry to two equivalent Mo atoms. Both V–Mo bond lengths are 2.24 Å. Mo is bonded in a linear geometry to one Ta and one V atom.
NbMo2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbMo2Re ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Mo atoms. Both Nb–Mo bond lengths are 2.30 Å. Mo is bonded in a linear geometry to one Nb and one Re atom. The Mo–Re bond length is 2.27 Å. Re is bonded in a linear geometry to two equivalent Mo atoms.
Nb3Mo3Al2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Nb is bonded in a distorted linear geometry to two equivalent Mo and four equivalent Al atoms. Both Nb–Mo bond lengths are 2.55 Å. There are two shorter (2.83 Å) and two longer (2.87 Å) Nb–Al bond lengths. Mo is bonded in a 2-coordinate geometry to two equivalent Nb and four equivalent Al atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Mo–Al bond lengths. Al is bonded to six equivalent Nb and six equivalent Mo atoms to form a mixture of edge and face-sharing AlNb6Mo6 cuboctahedra.
NbMoRe is beta Np-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two NbMoRe sheets oriented in the (0, 1, 0) direction. Nb is bonded in a 4-coordinate geometry to two equivalent Mo and two equivalent Re atoms. Both Nb–Mo bond lengths are 2.82 Å. Both Nb–Re bond lengths are 2.78 Å. Mo is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Re atoms. Both Mo–Re bond lengths are 2.70 Å. Re is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Mo atoms.
Mo5NO16N2NO crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, two nitroxyl molecules, and one Mo5NO16 cluster. In the Mo5NO16 cluster, there are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.24 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.26 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form corner-sharing MoO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.71–1.85 Å. In the fourth Mo6+ site, Mo6+ is bonded to five O2- atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.70–2.16 Å. In the fifth Mo6+ site, Mo6+ is bonded to four O2- atoms to form corner-sharing MoO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.72–1.93 Å. N1+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.34 Å) N–O bond length. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Mo6+ and one N1+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Mo6+ and one N1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo6+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.
K3NaMo5Se2O23 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.16 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.18 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.35 Å. Na1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–3.04 Å. There are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.38 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.39 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.40 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.35 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.35 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.77 Å. In the second Se6+ site, Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.78 Å. There are twenty-three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one O2- atom. The O–O bond length is 1.23 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Na1+, and one O2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Na1+, and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, two equivalent Na1+, and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mo6+, and one Se6+ atom. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+ and two Mo6+ atoms. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two Mo6+, and one Se6+ atom. In the sixteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Mo6+ atoms. In the eighteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two Mo6+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Mo6+ and one Se6+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two Mo6+ and one Se6+ atom. In the twenty-first O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mo6+, and one Se6+ atom. In the twenty-third O2- site, O2- is bonded in a 3-coordinate geometry to two Mo6+ and one Se6+ atom.
MoNbW crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two MoNbW sheets oriented in the (0, 1, 0) direction. Nb is bonded in a 4-coordinate geometry to two equivalent W and two equivalent Mo atoms. Both Nb–W bond lengths are 2.82 Å. Both Nb–Mo bond lengths are 2.81 Å. W is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Mo atoms. Both W–Mo bond lengths are 2.72 Å. Mo is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent W atoms.
Tb5(MoO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TbO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, an edgeedge with one TbO6 octahedra, edges with two equivalent MoO6 octahedra, and edges with six TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are a spread of Tb–O bond distances ranging from 2.31–2.42 Å. In the second Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent TbO6 octahedra, corners with two equivalent MoO6 octahedra, a cornercorner with one TbO7 pentagonal bipyramid, edges with two equivalent MoO6 octahedra, and edges with six TbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Tb–O bond distances ranging from 2.33–2.46 Å. In the third Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with four equivalent MoO6 octahedra, corners with eight TbO7 pentagonal bipyramids, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two shorter (2.31 Å) and four longer (2.36 Å) Tb–O bond lengths. Mo+4.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with two equivalent TbO7 pentagonal bipyramids, edges with two equivalent MoO6 octahedra, and edges with four TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Mo–O bond distances ranging from 1.97–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tb3+ and one Mo+4.50+ atom to form distorted OTb3Mo tetrahedra that share corners with ten OTb4 tetrahedra, a cornercorner with one OTb2Mo2 trigonal pyramid, edges with three OTb4 tetrahedra, and edges with two equivalent OTb2Mo2 trigonal pyramids. In the second O2- site, O2- is bonded to four Tb3+ atoms to form OTb4 tetrahedra that share corners with ten OTb4 tetrahedra, corners with three equivalent OTb2Mo2 trigonal pyramids, and edges with four OTb4 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+ and two equivalent Mo+4.50+ atoms. In the fourth O2- site, O2- is bonded to two Tb3+ and two equivalent Mo+4.50+ atoms to form distorted OTb2Mo2 trigonal pyramids that share corners with eight OTb4 tetrahedra, edges with four equivalent OTb3Mo tetrahedra, and an edgeedge with one OTb2Mo2 trigonal pyramid.
TaMoCo6 is beta Cu3Ti-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta is bonded to twelve Co atoms to form TaCo12 cuboctahedra that share corners with six equivalent TaCo12 cuboctahedra, corners with twelve equivalent CoTa2Co8Mo2 cuboctahedra, edges with eighteen CoTa2Co8Mo2 cuboctahedra, faces with two equivalent TaCo12 cuboctahedra, faces with six equivalent MoCo12 cuboctahedra, and faces with twelve CoTa2Co8Mo2 cuboctahedra. There are six shorter (2.59 Å) and six longer (2.60 Å) Ta–Co bond lengths. Mo is bonded to twelve Co atoms to form MoCo12 cuboctahedra that share corners with six equivalent MoCo12 cuboctahedra, corners with twelve CoTa2Co8Mo2 cuboctahedra, edges with eighteen CoTa2Co8Mo2 cuboctahedra, faces with two equivalent MoCo12 cuboctahedra, faces with six equivalent TaCo12 cuboctahedra, and faces with twelve CoTa2Co8Mo2 cuboctahedra. There are six shorter (2.58 Å) and six longer (2.59 Å) Mo–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ta, two equivalent Mo, and eight Co atoms to form distorted CoTa2Co8Mo2 cuboctahedra that share corners with four equivalent MoCo12 cuboctahedra, corners with fourteen CoTa2Co8Mo2 cuboctahedra, edges with two equivalent MoCo12 cuboctahedra, edges with four equivalent TaCo12 cuboctahedra, edges with twelve CoTa2Co8Mo2 cuboctahedra, faces with two equivalent TaCo12 cuboctahedra, faces with two equivalent MoCo12 cuboctahedra, and faces with sixteen CoTa2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.46–2.72 Å. In the second Co site, Co is bonded to two equivalent Ta, two equivalent Mo, and eight Co atoms to form distorted CoTa2Co8Mo2 cuboctahedra that share corners with four equivalent MoCo12 cuboctahedra, corners with fourteen CoTa2Co8Mo2 cuboctahedra, edges with two equivalent MoCo12 cuboctahedra, edges with four equivalent TaCo12 cuboctahedra, edges with twelve CoTa2Co8Mo2 cuboctahedra, faces with two equivalent TaCo12 cuboctahedra, faces with two equivalent MoCo12 cuboctahedra, and faces with sixteen CoTa2Co8Mo2 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the third Co site, Co is bonded to two equivalent Ta, two equivalent Mo, and eight Co atoms to form distorted CoTa2Co8Mo2 cuboctahedra that share corners with four equivalent TaCo12 cuboctahedra, corners with fourteen equivalent CoTa2Co8Mo2 cuboctahedra, edges with two equivalent TaCo12 cuboctahedra, edges with four equivalent MoCo12 cuboctahedra, edges with twelve CoTa2Co8Mo2 cuboctahedra, faces with two equivalent TaCo12 cuboctahedra, faces with two equivalent MoCo12 cuboctahedra, and faces with sixteen CoTa2Co8Mo2 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.66 Å) Co–Co bond lengths.
Gd6Mo10O39 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.21–2.52 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.62 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.56 Å. There are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.84 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.85 Å. In the third Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.82 Å. In the fourth Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. In the fifth Mo6+ site, Mo6+ is bonded to four O2- atoms to form corner-sharing MoO4 tetrahedra. There is three shorter (1.76 Å) and one longer (1.91 Å) Mo–O bond length. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mo6+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one Gd3+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Gd3+ and one Mo6+ atom. In the seventeenth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Mo6+ atom. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Mo6+ atom. In the nineteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Mo6+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to two Gd3+ and one Mo6+ atom.
Ba3Mo is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Mo atoms to form a mixture of distorted edge, corner, and face-sharing BaBa4Mo4 tetrahedra. All Ba–Ba bond lengths are 3.81 Å. All Ba–Mo bond lengths are 3.81 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ba and six equivalent Mo atoms. All Ba–Mo bond lengths are 4.40 Å. Mo is bonded in a body-centered cubic geometry to fourteen Ba atoms.
Na3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Mo atoms to form a mixture of distorted edge and corner-sharing NaMo4 cuboctahedra. All Na–Mo bond lengths are 3.48 Å. In the second Na site, Na is bonded in a square co-planar geometry to four equivalent Mo atoms. All Na–Mo bond lengths are 3.39 Å. Mo is bonded to twelve Na atoms to form a mixture of edge, corner, and face-sharing MoNa12 cuboctahedra.
TaNbMo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaNbMo2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Mo atoms. Both Ta–Mo bond lengths are 2.31 Å. Nb is bonded in a linear geometry to two equivalent Mo atoms. Both Nb–Mo bond lengths are 2.35 Å. Mo is bonded in a linear geometry to one Ta and one Nb atom.
Ta(MoB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded to eight equivalent Mo and four equivalent B atoms to form a mixture of distorted corner and face-sharing TaB4Mo8 cuboctahedra. All Ta–Mo bond lengths are 2.77 Å. All Ta–B bond lengths are 2.49 Å. Mo is bonded in a 10-coordinate geometry to four equivalent Ta and six equivalent B atoms. There are four shorter (2.39 Å) and two longer (2.47 Å) Mo–B bond lengths. B is bonded in a 9-coordinate geometry to two equivalent Ta, six equivalent Mo, and one B atom. The B–B bond length is 1.89 Å.
NbMo2Tc crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbMo2Tc ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Mo atoms. Both Nb–Mo bond lengths are 2.31 Å. Mo is bonded in a linear geometry to one Nb and one Tc atom. The Mo–Tc bond length is 2.25 Å. Tc is bonded in a linear geometry to two equivalent Mo atoms.
LiMo6(SeS3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent Se2- and six equivalent S2- atoms. Both Li–Se bond lengths are 2.43 Å. All Li–S bond lengths are 3.21 Å. Mo+2.50+ is bonded to one Se2- and four equivalent S2- atoms to form a mixture of edge and corner-sharing MoSeS4 square pyramids. The Mo–Se bond length is 2.54 Å. There are a spread of Mo–S bond distances ranging from 2.44–2.50 Å. Se2- is bonded in a 1-coordinate geometry to one Li1+ and three equivalent Mo+2.50+ atoms. S2- is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Mo+2.50+ atoms.
(Mo(OF)2)2N2(NO)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ammonia molecules, four nitroxyl molecules, and four Mo(OF)2 clusters. In each Mo(OF)2 cluster, Mo6+ is bonded in a distorted tetrahedral geometry to two O2- and two F1- atoms. There is one shorter (1.71 Å) and one longer (1.74 Å) Mo–O bond length. There is one shorter (1.89 Å) and one longer (1.92 Å) Mo–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo6+ atom.
ZrMo3B2C2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Zr2+ is bonded to five C4- atoms to form ZrC5 square pyramids that share corners with four equivalent ZrC5 square pyramids, edges with four equivalent ZrC5 square pyramids, and edges with four equivalent MoC5 square pyramids. All Zr–C bond lengths are 2.25 Å. There are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five C4- atoms to form MoC5 square pyramids that share corners with four equivalent MoC5 square pyramids, edges with four equivalent ZrC5 square pyramids, and edges with four equivalent MoC5 square pyramids. There are one shorter (2.15 Å) and four longer (2.25 Å) Mo–C bond lengths. In the second Mo2+ site, Mo2+ is bonded in a single-bond geometry to four equivalent B and one C4- atom. All Mo–B bond lengths are 2.37 Å. The Mo–C bond length is 2.03 Å. In the third Mo2+ site, Mo2+ is bonded in a single-bond geometry to two equivalent B and one C4- atom. Both Mo–B bond lengths are 2.32 Å. The Mo–C bond length is 2.19 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted bent 120 degrees geometry to two equivalent B atoms. Both B–B bond lengths are 1.87 Å. In the second B site, B is bonded in a distorted bent 120 degrees geometry to six Mo2+ and two equivalent B atoms. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Zr2+ and five Mo2+ atoms to form a mixture of edge and corner-sharing CZrMo5 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second C4- site, C4- is bonded to four equivalent Zr2+ and two Mo2+ atoms to form CZr4Mo2 octahedra that share corners with four equivalent CZr4Mo2 octahedra and edges with eight CZrMo5 octahedra. The corner-sharing octahedral tilt angles are 4°.