Materials Data on BrO4 by Materials Project
BrO4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and four hypobromous acid;hydrate molecules.
36 MATERIALS SCIENCE↗
SEARCH · Engineering Papers
Results for “BrO4”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Materials Data on BrO4 by Materials Project
BrO4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two hydrobromic acid molecules, four hydrogen peroxide molecules, two hypobromous acid molecules, and two trioxidane molecules.
36 MATERIALS SCIENCE↗
Materials Data on CdH4(BrO4)2 by Materials Project
CdH4(O4Br)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two CdH4(O4Br)2 ribbons oriented in the (0, 1, 0) direction. Cd2+ is bonded to seven O2- atoms to form distorted corner-sharing CdO7 pentagonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.34–2.65 Å. There are four 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 0.98 Å. In the second 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 third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.67 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a water-like geometry to one Cd2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Br5+ atom. The O–Br bond length is 1.69 Å. There are two inequivalent Br5+ sites. In the first Br5+ site, Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. In the second Br5+ site, Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.
36 MATERIALS SCIENCE↗
Materials Data on In4As5(BrO4)3 by Materials Project
In4As5(O4Br)3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one In4As5(O4Br)3 sheet oriented in the (0, 0, 1) direction. there are five inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent InO7 pentagonal bipyramids and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.16–2.25 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent InO7 pentagonal bipyramids and edges with two equivalent InO6 octahedra. There are a spread of In–O bond distances ranging from 2.18–2.23 Å. In the third In3+ site, In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share edges with two InO6 octahedra and an edgeedge with one InO7 pentagonal bipyramid. There are a spread of In–O bond distances ranging from 2.15–2.26 Å. In the fourth In3+ site, In3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing InO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of In–O bond distances ranging from 2.17–2.50 Å. In the fifth In3+ site, In3+ is bonded in a tetrahedral geometry to one O2- and three Br1- atoms. The In–O bond length is 2.08 Å. There are two shorter (2.53 Å) and one longer (2.56 Å) In–Br bond lengths. There are five inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.86 Å. In the second As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.86 Å) As–O bond length. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.88 Å. In the fourth As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.76–1.93 Å. In the fifth As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.82–1.85 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one As3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two In3+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two In3+ and one As3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two As3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one As3+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two As3+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two In3+ and one As3+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two In3+ and one As3+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one As3+ atom. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to one In3+ and one As3+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one In3+ and two As3+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one In3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one In3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one In3+ atom.
36 MATERIALS SCIENCE↗
Materials Data on Ba3Te3(BrO4)2 by Materials Project
Ba3Te3(O4Br)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to eight O2- and one Br1- atom. There are a spread of Ba–O bond distances ranging from 2.79–3.22 Å. The Ba–Br bond length is 3.53 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to eight O2- and two equivalent Br1- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.24 Å. There are one shorter (3.48 Å) and one longer (3.72 Å) Ba–Br bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to five O2- and three equivalent Br1- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.75 Å. There are two shorter (3.42 Å) and one longer (3.46 Å) Ba–Br bond lengths. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.88 Å) and two longer (1.90 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.87 Å) and one longer (2.00 Å) Te–O bond length. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and one Br1- atom. There is two shorter (1.86 Å) and one longer (1.99 Å) Te–O bond length. The Te–Br bond length is 3.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+ and one Te4+ atom. In the second O2- site, O2- is bonded to three Ba2+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing OBa3Te tetrahedra. In the third O2- site, O2- is bonded to three Ba2+ and one Te4+ atom to form a mixture of distorted corner and edge-sharing OBa3Te tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Ba2+ and one Te4+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to four Ba2+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ atoms.
36 MATERIALS SCIENCE↗
Materials Data on Cu(BrO4)2 by Materials Project
Cu(O4Br)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Cu(O4Br)2 sheets oriented in the (0, 0, 1) direction. Cu is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.75–2.41 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.64 Å. In the second O site, O is bonded in a single-bond geometry to one Cu atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Cu and one Br atom. The O–Br bond length is 1.66 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Br atom. The O–Br bond length is 1.83 Å. Br is bonded in a trigonal non-coplanar geometry to three O atoms.
36 MATERIALS SCIENCE↗
Materials Data on SrC6(BrO4)2 by Materials Project
SrC6(O4Br)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two SrC6(O4Br)2 ribbons oriented in the (0, 0, 1) direction. Sr2+ is bonded to seven O2- atoms to form distorted edge-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.48–2.93 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Br1- atom. The C–Br bond length is 1.88 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.25 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one C+2.67+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent O2- and two equivalent Br1- atoms. Both O–O bond lengths are 3.17 Å. Both O–Br bond lengths are 3.61 Å. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one O2- atom. The O–O bond length is 1.23 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one C+2.67+, and one O2- atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one O2- atom. The O–O bond length is 1.36 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one O2- atom. Br1- is bonded in a single-bond geometry to one C+2.67+ and one O2- atom.
36 MATERIALS SCIENCE↗
Materials Data on YC9(BrO4)3 by Materials Project
YC7O12Br(BrC)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four bromomethane molecules and one YC7O12Br cluster. In the YC7O12Br cluster, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.66 Å. There are seven inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the fifth C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the sixth C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one Br1- atom. The C–Br bond length is 1.88 Å. In the seventh C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four O2- and one Br1- atom. There are a spread of O–O bond distances ranging from 2.62–3.11 Å. The O–Br bond length is 3.62 Å. In the second O2- site, O2- is bonded in a single-bond geometry to two O2- atoms. The O–O bond length is 1.30 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one C+2.67+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+, one C+2.67+, and one O2- atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one C+2.67+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Y3+ and one O2- atom. The O–O bond length is 1.27 Å. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and two O2- atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to two O2- atoms. The O–O bond length is 1.30 Å. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one C+2.67+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one C+2.67+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one C+2.67+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two O2- atoms. Br1- is bonded in a single-bond geometry to one C+2.67+ and one O2- atom.
36 MATERIALS SCIENCE↗
Materials Data on Hg(BrO4)2 by Materials Project
Hg(O4Br)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two Hg(O4Br)2 ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.62 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.68 Å. In the second O site, O is bonded in a single-bond geometry to one Hg atom. In the third O site, O is bonded in a single-bond geometry to one Hg atom. In the fourth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.66 Å. In the fifth O site, O is bonded in a water-like geometry to one Hg and one Br atom. The O–Br bond length is 1.70 Å. In the sixth O site, O is bonded in a 1-coordinate geometry to two equivalent Hg and one Br atom. The O–Br bond length is 1.73 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Hg and one Br atom. The O–Br bond length is 1.71 Å. In the eighth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.67 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms.
36 MATERIALS SCIENCE↗
Materials Data on CaH6C6(BrO4)2 by Materials Project
CaC4H4O7(BrC)2H2O crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight bromomethane molecules, four water molecules, and two CaC4H4O7 clusters. In each CaC4H4O7 cluster, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.66 Å. There are two inequivalent C+1.67+ sites. In the first C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. There are two 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one C+1.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one C+1.67+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Ca2+ and two equivalent H1+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Ca2+ atom.
36 MATERIALS SCIENCE↗
Materials Data on AgBrO4 by Materials Project
AgO4Br crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded to seven O2- atoms to form distorted AgO7 pentagonal bipyramids that share corners with two equivalent AgO7 pentagonal bipyramids, corners with seven equivalent BrO4 tetrahedra, and edges with two equivalent AgO7 pentagonal bipyramids. There are a spread of Ag–O bond distances ranging from 2.41–2.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.66 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Br5+ atom. The O–Br bond length is 1.65 Å. Br5+ is bonded to four O2- atoms to form BrO4 tetrahedra that share corners with seven equivalent AgO7 pentagonal bipyramids.
36 MATERIALS SCIENCE↗
Materials Data on CaPBrO8 by Materials Project
CaPO4BrO4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four BrO4 clusters and two CaPO4 sheets oriented in the (1, 0, 0) direction. In each BrO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one Br atom. The O–Br bond length is 2.49 Å. Br is bonded in a linear geometry to two equivalent O atoms. In each CaPO4 sheet, Ca is bonded in a distorted hexagonal planar geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.51 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.55 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Ca and one P atom. In the second O site, O is bonded in a distorted L-shaped geometry to one Ca and one P atom.
36 MATERIALS SCIENCE↗
Materials Data on LiH2BrO5 by Materials Project
LiH2O5Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.98 Å) and two longer (2.11 Å) Li–O bond lengths. In the second Li site, Li is bonded to four O atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent BrO4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.05 Å) Li–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Li, one H, and one Br atom. The O–Br bond length is 2.06 Å. In the second O site, O is bonded in a linear geometry to one Li and one Br atom. The O–Br bond length is 1.66 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li, one O, and one Br atom. The O–O bond length is 1.45 Å. The O–Br bond length is 2.19 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Li and one Br atom. The O–Br bond length is 1.66 Å. In the fifth O site, O is bonded in a single-bond geometry to one H and one O atom. Br is bonded to four O atoms to form distorted BrO4 trigonal pyramids that share corners with two equivalent LiO4 trigonal pyramids.
36 MATERIALS SCIENCE↗
Materials Data on NaH2BrO5 by Materials Project
NaH2O5Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with four equivalent BrO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.35–2.49 Å. In the second Na site, Na is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.32 Å) and two longer (2.38 Å) Na–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Na, one H, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Na and one Br atom. The O–Br bond length is 1.65 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one Br atom. The O–Br bond length is 1.66 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one Na, one H, and one Br atom. The O–Br bond length is 2.06 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one O, and one Br atom. The O–Br bond length is 2.15 Å. Br is bonded to four O atoms to form distorted BrO4 tetrahedra that share corners with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 28–29°.
36 MATERIALS SCIENCE↗
Materials Data on BaBr2O11 by Materials Project
BaO11Br2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent BrO4 tetrahedra and faces with two equivalent BaO12 cuboctahedra. There are a spread of Ba–O bond distances ranging from 2.79–3.12 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.63 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one Br atom. The O–Br bond length is 1.66 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one Br atom. The O–Br bond length is 1.66 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one Br atom. The O–Br bond length is 1.66 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent Ba and two O atoms. There is one shorter (1.46 Å) and one longer (1.47 Å) O–O bond length. In the sixth O site, O is bonded in a 4-coordinate geometry to two equivalent Ba and two O atoms. The O–O bond length is 1.47 Å. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Ba and two O atoms. Br is bonded to four O atoms to form BrO4 tetrahedra that share corners with three equivalent BaO12 cuboctahedra.
36 MATERIALS SCIENCE↗
Materials Data on CoH12(BrO7)2 by Materials Project
Co(H2O)6(BrO4)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of one cobalt hexahydrate molecule and two hypobromous acid;trihydrate molecules.
36 MATERIALS SCIENCE↗
Ternary and quaternary oxides of Bi, Sr and Cu
Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-Si-O-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3-SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)BrO4. Bi2Sr2O5, and Bi2Sr3O6 (x - 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and index its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.
Casais, M. T.↗