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Pr3Br is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a square co-planar geometry to four equivalent Br atoms. All Pr–Br bond lengths are 3.54 Å. Br is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing BrPr12 cuboctahedra.
Pr3OsBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Os and four equivalent Br atoms to form a mixture of edge and corner-sharing PrOs2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Os bond lengths are 2.86 Å. There are two shorter (3.12 Å) and two longer (3.25 Å) Pr–Br bond lengths. Os is bonded to six equivalent Pr atoms to form edge-sharing OsPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.
Sr2HBr2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sr2HBr2 cluster. Sr is bonded in a linear geometry to one H and one Br atom. The Sr–H bond length is 2.29 Å. The Sr–Br bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Sr atoms. Br is bonded in a single-bond geometry to one Sr atom.
Rb3Sc2Br9 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 in a 9-coordinate geometry to nine equivalent Br1- atoms. There are three shorter (3.84 Å) and six longer (3.86 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra and faces with six equivalent ScBr6 octahedra. There are six shorter (3.84 Å) and six longer (3.87 Å) Rb–Br bond lengths. Sc3+ is bonded to six Br1- atoms to form ScBr6 octahedra that share faces with three equivalent RbBr12 cuboctahedra and a faceface with one ScBr6 octahedra. There are three shorter (2.56 Å) and three longer (2.79 Å) Sc–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Rb1+ and one Sc3+ atom. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Sc3+ atoms.
Rb2PtOBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to one O2- and eight Br1- atoms. The Rb–O bond length is 2.95 Å. There are a spread of Rb–Br bond distances ranging from 3.56–3.74 Å. Pt4+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Pt–Br bond distances ranging from 2.44–2.46 Å. O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Br1- atoms. Both O–Br bond lengths are 3.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Pt4+, and one O2- atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Pt4+ atom. In the third Br1- site, Br1- is bonded to four equivalent Rb1+ and one Pt4+ atom to form distorted edge-sharing BrRb4Pt square pyramids.
AlH7Br3NH3N2H(NH2)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four ammonia molecules, four diazene molecules, and four AlH7Br3 clusters. In each AlH7Br3 cluster, Al3+ is bonded in a trigonal non-coplanar geometry to two equivalent H1+ and one Br1- atom. Both Al–H bond lengths are 1.81 Å. The Al–Br bond length is 2.28 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a bent 120 degrees geometry to one Al3+ and one H1+ atom. The H–H bond length is 0.89 Å. In the second H1+ site, H1+ is bonded in a water-like geometry to two equivalent H1+ atoms. Both H–H bond lengths are 0.92 Å. In the third H1+ site, H1+ is bonded in a bent 150 degrees geometry to one H1+ and one Br1- atom. The H–Br bond length is 1.88 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to one H1+ and one Br1- atom. The H–Br bond length is 1.88 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two H1+ atoms.
K2NaAuBr6 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 Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent AuBr6 octahedra. All K–Br bond lengths are 3.91 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.87 Å. Au3+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.66 Å. Br1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Na1+, and one Au3+ atom.
Cs2AgBiBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent AgBr6 octahedra, and faces with four equivalent BiBr6 octahedra. All Cs–Br bond lengths are 4.06 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent BiBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.86 Å. Bi3+ is bonded to six equivalent Br1- atoms to form BiBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Br bond lengths are 2.88 Å. Br1- is bonded to four equivalent Cs1+, one Ag1+, and one Bi3+ atom to form a mixture of distorted edge, corner, and face-sharing BrCs4AgBi octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
Rb2YCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, faces with four equivalent YBr6 octahedra, and faces with four equivalent CuBr6 octahedra. All Rb–Br bond lengths are 3.89 Å. Y3+ is bonded to six equivalent Br1- atoms to form YBr6 octahedra that share corners with six equivalent CuBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Br bond lengths are 2.80 Å. Cu1+ is bonded to six equivalent Br1- atoms to form CuBr6 octahedra that share corners with six equivalent YBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.70 Å. Br1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Y3+, and one Cu1+ atom.
K2CuInBr6 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 Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent CuBr6 octahedra, and faces with four equivalent InBr6 octahedra. All K–Br bond lengths are 3.81 Å. Cu1+ is bonded to six equivalent Br1- atoms to form CuBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.64 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent CuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.75 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Cu1+, and one In3+ atom.
InAlBr4 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one InAlBr4 sheet oriented in the (0, 1, 0) direction. there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of In–Br bond distances ranging from 3.39–3.55 Å. In the second In1+ site, In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.48 Å. Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.31–2.35 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to two In1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one In1+ and one Al3+ atom.
Ag3Br crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded in a 2-coordinate geometry to six equivalent Ag and four equivalent Br atoms. All Ag–Ag bond lengths are 2.89 Å. There are two shorter (3.17 Å) and two longer (3.28 Å) Ag–Br bond lengths. Br is bonded to twelve equivalent Ag atoms to form a mixture of distorted face and corner-sharing BrAg12 cuboctahedra.
K2AuAsBr6 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 Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent AuBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 3.86 Å. Au1- is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.78 Å. As5+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.68 Å. Br1- is bonded to four equivalent K1+, one Au1-, and one As5+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4AsAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
Cs2KTaBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent KBr6 octahedra, and faces with four equivalent TaBr6 octahedra. All Cs–Br bond lengths are 4.11 Å. K1+ is bonded to six equivalent Br1- atoms to form KBr6 octahedra that share corners with six equivalent TaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.16 Å. Ta3+ is bonded to six equivalent Br1- atoms to form TaBr6 octahedra that share corners with six equivalent KBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–Br bond lengths are 2.64 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Ta3+ atom.
Hg6InSb4Br7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hg2+ is bonded in a 5-coordinate geometry to two Sb+1.50- and three equivalent Br1- atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Hg–Sb bond lengths. There are a spread of Hg–Br bond distances ranging from 3.42–3.61 Å. In1+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.74 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded to three equivalent Hg2+ and one Sb+1.50- atom to form corner-sharing SbHg3Sb tetrahedra. The Sb–Sb bond length is 2.98 Å. In the second Sb+1.50- site, Sb+1.50- is bonded to three equivalent Hg2+, one Sb+1.50-, and one Br1- atom to form distorted SbHg3SbBr trigonal bipyramids that share corners with three equivalent SbHg3Sb tetrahedra and a cornercorner with one SbHg3SbBr trigonal bipyramid. The Sb–Br bond length is 3.09 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a linear geometry to two equivalent Sb+1.50- atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ and one In1+ atom.
Rb2Cd(IBr)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to four equivalent I1- and four Br1- atoms. There are two shorter (3.81 Å) and two longer (4.03 Å) Rb–I bond lengths. There are two shorter (3.48 Å) and two longer (3.74 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded to four equivalent I1- and three Br1- atoms to form distorted RbI4Br3 pentagonal bipyramids that share corners with six equivalent RbI4Br3 pentagonal bipyramids, corners with three equivalent CdI2Br2 tetrahedra, and edges with two equivalent CdI2Br2 tetrahedra. There are two shorter (3.77 Å) and two longer (4.07 Å) Rb–I bond lengths. There are a spread of Rb–Br bond distances ranging from 3.39–3.82 Å. Cd2+ is bonded to two equivalent I1- and two Br1- atoms to form CdI2Br2 tetrahedra that share corners with three equivalent RbI4Br3 pentagonal bipyramids and edges with two equivalent RbI4Br3 pentagonal bipyramids. Both Cd–I bond lengths are 2.82 Å. There are one shorter (2.65 Å) and one longer (2.66 Å) Cd–Br bond lengths. I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Cd2+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three Rb1+ and one Cd2+ atom to form distorted BrRb3Cd trigonal pyramids that share corners with three equivalent BrRb4Cd trigonal bipyramids, corners with two equivalent BrRb3Cd trigonal pyramids, and edges with two equivalent BrRb4Cd trigonal bipyramids. In the second Br1- site, Br1- is bonded to four Rb1+ and one Cd2+ atom to form distorted BrRb4Cd trigonal bipyramids that share corners with four equivalent BrRb4Cd trigonal bipyramids, corners with three equivalent BrRb3Cd trigonal pyramids, and edges with two equivalent BrRb3Cd trigonal pyramids.
Cs3Sc2Br9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to nine equivalent Br1- atoms to form distorted CsBr9 cuboctahedra that share corners with nine CsBr9 cuboctahedra, edges with three equivalent CsBr12 cuboctahedra, edges with three equivalent ScBr6 octahedra, faces with three equivalent CsBr9 cuboctahedra, and a faceface with one ScBr6 octahedra. There are three shorter (3.96 Å) and six longer (3.99 Å) Cs–Br bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve CsBr9 cuboctahedra, edges with six equivalent CsBr9 cuboctahedra, and faces with six equivalent ScBr6 octahedra. There are six shorter (3.95 Å) and six longer (3.97 Å) Cs–Br bond lengths. Sc3+ is bonded to six Br1- atoms to form ScBr6 octahedra that share edges with three equivalent CsBr9 cuboctahedra, faces with four CsBr9 cuboctahedra, and a faceface with one ScBr6 octahedra. There are three shorter (2.57 Å) and three longer (2.78 Å) Sc–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Cs1+ and one Sc3+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cs1+ and two equivalent Sc3+ atoms.
AlSBr3 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two AlSBr3 clusters. Al is bonded in a tetrahedral geometry to one S and three equivalent Br atoms. The Al–S bond length is 2.29 Å. All Al–Br bond lengths are 2.30 Å. S is bonded in a single-bond geometry to one Al atom. Br is bonded in a single-bond geometry to one Al atom.