Synthesis and Crystal Structure of In(OH)(SeO3)

In(OH)(SeO₃), prepared by a hydrothermal reaction, crystallizes in a new structure type containing cis InO₄(OH)₂ octahedra. These groups share both corners (via OH) and edges (via O) to result in a layered motif containing octahedral 8‐ring holes that resembles a single layer of the hollandite structure. The selenium atoms [as pyramidal (SeO₃)^2? selenite groups] decorate the 8‐ring holes and crosslink the sheets, leading to a three‐dimensional structure. Crystal data: In(OH)(SeO₃), M_r = 258.79, triclinic, (No. 2), a = 5.6523 (2) Å, b = 7.9598 (3) Å, c = 8.0911 (3) Å, α = 87.925 (2)°, β = 79.679 (2)°, γ = 83.201 (3)°, V = 355.58 (2) ų, Z = 4, R (F) = 0.023, wR (F²) = 0.054.     

Synthesis and Crystal Structure of Pb3O2(SeO3)

Single crystals of Pb₃O₂(SeO₃) have been prepared hydrothermally at 230 °C. The structure (orthorhombic, Cmc2₁, a = 10.529(2), b = 10.722(2), c = 5.7527(12)Å, V = 649.5(2)ų) has been solved by direct methods and refined to R₁ = 0.059 on the basis of 615 unique observed reflections (|F_o| = 4σ_F). The structure is based upon double [O₂Pb₃]²⁺ chains of edge‐sharing [OPb₄]⁶⁺ tetrahedra. These [O₂Pb₃]²⁺ chains run parallel to [001], and their planes are parallel to (010). The pyramidal (SeO₃)^2— anions are located between the chains; their triangular oxygen atom bases lie parallel to (001) and all (SeO₃)^2— groups are pointing in the same direction. A short compilation of [O₂M₃] chains of oxocentred M₄ tetrahedra in minerals and inorganic compounds is provided.     

CoSm(SeO3)2Cl,CuGd(SeO3)2Cl,MnSm(SeO3)2Cl,CuGd2(SeO3)4 und CuSm2(SeO3)4: Übergangsmetallhaltige Selenite von Samarium und Gadolinum

CoSm(SeO₃)₂Cl, CuGd(SeO₃)₂Cl, MnSm(SeO₃)₂Cl, CuGd₂(SeO₃)₄ and CuSm₂(SeO₃)₄: Transition Metal containing Selenites of Samarium and Gadolinum The reaction of CoCl₂, Sm₂O₃, and SeO₂ in evacuated silica ampoules lead to blue single crystals of CoSm(SeO₃)₂Cl (triclinic, , Z = 4, a = 712.3(1), b = 889.5(2), c = 1216.2(2) pm, α = 72.25(1)°, β = 71.27(1)°, γ = 72.08(1)°, R_all = 0.0586). If MnCl₂ is used in the reaction light pink single crystals of MnSm(SeO₃)₂Cl (triclinic, , Z = 2, a = 700.8(2), b = 724.1(2), c = 803.4(2) pm, α = 86.90(3)°, β = 71.57(3)°, γ = 64.33(3)°, R_all = 0.0875) are obtained. Green single crystals of CuGd₂(SeO₃)₂Cl (triclinic, , Z = 4, a = 704.3(4), b = 909.6(4), c = 1201.0(7) pm, α = 70.84(4)°, β = 73.01(4)°, γ = 70.69(4)°, R_all = 0.0450) form analogously in the reaction of CuCl₂ and Gd₂O₃ with SeO₂. CoSm(SeO₃)₂Cl contains [CoO₄Cl₂] octahedra, which are connected via one edge and one vertex to infinite chains. The Mn²⁺ ions in MnSm(SeO₃)₂Cl are also octahedrally coordinated by four oxygen and two chlorine ligands. The linkage of the polyhedra to chains occurs exclusively via edges. Both, the cobalt and the manganese compound show the Sm³⁺ ions in eight and ninefold coordination of oxygen atoms and chloride ions. In CuGd(SeO₃)₂Cl the Cu²⁺ ions are coordinated by three oxygen atoms and one Cl^— ion in a distorted square planar manner. One further Cl^— and one further oxygen ligand complete the [CuO₃Cl] units yielding significantly elongated octahedra. The latter are again connected to chains via two common edges. For the Gd³⁺ ions coordination numbers of ?8 + 1”? and nine were found. Single crystals of the deep blue selenites CuM₂(SeO₃)₄ (M = Sm/Gd, monoclinic, P2₁/c, a = 1050.4(3)/1051.0(2), b = 696.6(2)/693.5(1), c = 822.5(2)/818.5(2) pm, β = 110.48(2)°/110.53(2)°, R_all = 0.0341/0.0531) can be obtained from reactions of the oxides Sm₂O₃ and Gd₂O₃, respectively, with CuO and SeO₂. The crystal structure contains square planar [CuO₄] groups and irregular [MO₉] polyhedra.     

A Porous Cadmium(II) Framework: Synthesis,Crystal Structure,Gas Adsorption,and Fluorescence Sensing Properties

The Cd^II compound, namely [Cd(Tppa)(SO₄)(H₂O)]_n ( 1 ) [Tppa = tris(4‐(pyridyl)phenyl) amine], was synthesized by the reaction of CdSO₄ · 8H₂O and Tppa under solvothermal conditions. Single crystal X‐ray diffraction analysis revealed that compound 1 features a 3D porous framework based on 1D inorganic –[Cd–SO₄–Cd]_n– chains. Topological analysis reveals that compound 1 represents a trinodal (3,4,6)‐connected topological network with the point symbol of {6.7²}₂{6⁴.7.10}{6⁴.7⁵.8⁴.10²}. Gas adsorption properties investigations indicate that compound 1 exhibits moderate adsorption capacities for light hydrocarbons at room temperature. Luminescencence property studies revealed that this Cd^II compound exhibits high fluorescence sensitivity for sensing of CS₂ molecule.     

Crystal Structure of a Cadmium Iodate Monohydrate: Cd(IO3)2·H2O

Single crystals of Cd(IO₃)₂·H₂O are obtained by slow evaporation of aqueous solutions of CdCl₂ and KIO₃. This compound crystallizes in the triclinic space group P1¯ [a = 7.119(2), b = 7.952(2), c = 6.646(2)Å, α = 102.17(2)°, β = 114.13(2)°, γ = 66.78(4)°]. The structure consists in Cd — (μ2‐O)₂ — Cd dimers with a metal — metal distance of 3.74Å. These dimers are connected through two iodate bridges resulting in layers parallel to the (010) plane. The 3D linkage is ensured by I1 — O1 long bonds (2.775Å).     

Synthese und Kristallstruktur des Selenyl-Phosphaniminato-Komplexes SeO(NPPh3)2

Synthesis and Crystal Structure of the Selenyl-Phosphoraneiminato Complex SeO(NPPh₃)₂ SeO(NPPh₃)₂ has been prepared from SeO₂ and Me₃SiNPPh₃ in a SeO₂ suspension in acetonitrile, forming colourless crystals. The compound is characterized by IR spectroscopy and by a crystal structure determination. Space group P1 , Z = 2, structure solution with 5 344 observed unique reflections, R = 0.064. Lattice dimensions at ?40°C: a = 931.6, b = 947.6, c = 1 762 pm, α = 77.50°, β = 81.78°, γ = 79.23°. The compound forms monomeric molecules in which the selenium atom is φ-tetrahedrally surrounded with bond lengths SeO = 161.7 pm and SeN = 179.9 and 181.6 pm.     

Wasserfreie Selenite des Lanthans: Synthese und Kristallstruktur von La2(SeO3)3 und LaFSeO3

Anhydrous Selenites of Lanthanum: Syntheses and Crystal Structures of La₂(SeO₃)₃ and LaFSeO₃ Colorless single crystals of La₂(SeO₃)₃ were obtained via the decomposition of La₂(SeO₄)₃ in the presence of NaCl in sealed gold ampoules. The compound crystallizes in the orthorhombic system (Pnma, Z = 4, a = 846.7(1), b = 1428.6(1), c = 710.3(2) pm, R_all = 0.0223) and contains La³⁺ in tenfold coordination of oxygen atoms which belong to seven SeO₃^2– groups. Hence, three of the latter act as bidentate ligands. The reaction of LiF with La₂(SeO₄)₃ in sealed gold ampoules yielded colorless single crystals of LaFSeO₃ (monoclinic, P2₁/c, Z = 12, a = 1819.8(3), b = 715.75(8), c = 846.4(1) pm, β = 96.89(2)°, R_all = 0.0352). The crystal structure contains three crystallographically different La³⁺ ions. La1 is surrounded by six oxygen atoms from five SeO₃^2– groups and four fluoride ions, La2 is coordinated by two bidentate SeO₃^2– ions and seven fluoride ligands. La3 is surrounded by oxygen atoms only with the coordination number and polyhedron being almost the same as found for La³⁺ in La₂(SeO₃)₃. Furthermore, the crystal structures of both compounds are strongly influenced by the lone pairs of the SeO₃^2– groups.     

Synthesis and Structure of a New Vanadium(IV)‐Cadmium(II) Compound with the Nitrilotriacetate Ligand: {(NH4)2[(VIVO)2(μ2‐O)(nta)2Cd(H2O)2]·H2O}n

A polymeric V^IV‐Cd compound, {(NH₄)₂[(V^IVO)₂(μ₂‐O)(nta)₂Cd(H₂O)₂]·H₂O}_n (H₃nta = nitrilotriacetic acid), has been prepared and characterized by single‐crystal X‐ray diffraction. The compound crystallizes in the monoclinic space group C2/c with a = 17.3760(2) Å, b = 8.0488(1) Å, c = 17.3380(2) Å, β = 107.9690(10)°, V = 2306.55(5) ų, Z = 4, and R₁ = 0.0303 for 1958 observed reflections. The structure exhibits a heterometallic three‐dimensional network formed by polymeric [(V^IVO)₂(μ₂‐O)(nta)₂Cd(H₂O)₂]^2? anions.     

Polymorphism of Anhydrous Cadmium Iodate Structure of ε‐Cd(IO3)2

The investigation of CdCl₂‐HIO₃ system, in aqueous and HNO₃ solutions, revealed that anhydrous cadmium iodate presents a marked polymorphism. No less than four new Cd(IO₃)₂polymorphs have been isolated and characterized, two of which showing second harmonic generation activity. Single crystals of ε‐Cd(IO₃)₂ are obtained by slowly evaporating, at 60 °C, a saturated solution of γ‐Cd(IO₃)₂ in 30 % nitric acid. This compound crystallizes in the orthorhombic space group Pca2₁ [a = 17.581(2), b = 5.495(2), c = 11.163(2) Å]. The basic structural unit can be described as the connection of two cadmium polyhedrons with a short metal – metal distance of 3.88Å. These units are further linked through two other iodate bridges resulting in layers parallel to the (100) plane. The 3D linkage is ensured by short bonds of the fourth iodate group.     

Synthesis and Structure of the Clusters [Hg2(μ—SePh)2(SePh)2(PPh3)2] and [Hg3Br3(μ—SePh)3] · 2 DMSO

The compounds [Hg₂(μ—SePh)₂(SePh)₂(PPh₃)₂] ( I ) and [Hg₃Br₃(μ—SePh)₃] · 2 DMSO ( II ) are formed by reactions of [Hg(SePh)₂] with PPh₃ in THF( I ) or with HgBr₂ in DMSO ( II ) at room temperature. X—ray crystallography reveals that the cluster I consists of a distorted square built by each two Hg and Se atoms. The Hg atoms have almost tetrahedral co‐ordination environments formed by selenium atoms of two (μ‐^—SePh) ligands and Se and P atoms of terminal ^—SePh and PPh₃ ligands. The compound II is a six‐membered ring with alternating Hg and Se atoms in the chair conformation. Two DMSO molecules occupy positions below and above the [Hg₃Se₃] ring with the oxygen atoms directed to the centre of the ring.     

Synthesis and Crystal Structures of α‐ and β‐Mg2[(UO2)3(SeO4)5](H2O)16

Single crystals of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ have been synthesized by evaporation from an aqueous solution of the ionic components. The structure of α‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ (monoclinic, C2/c, a = 19.544(3), b = 10.4783(11), c = 18.020(3) Å, β = 91.352(12)°, V = 3689.3(9) ų) has been solved by direct methods and refined to R₁ = 0.048 on the basis of 4338 unique observed reflections. The structure of β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ (orthorhombic, Pbcm, a = 10.3807(7), b = 22.2341(19), c = 33.739(5) Å, V = 7787.2(14) ų) has been solved by direct methods and refined to R₁ = 0.107 on the basis of 3621 unique observed reflections. The structures of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ are based upon sheets with the chemical composition [(UO₂)₃(SeO₄)₅]^4‐. The sheets are formed by corner sharing between pentagonal bipyramids [UO₇]^8‐ and SeO₄^2‐ tetrahedra. In the α‐modification, the [(UO₂)₃(SeO₄)₅]^4‐ sheets are more or less planar and run parallel to (001). In the structure of the β‐modification, the uranyl selenate sheets are strongly corrugated and oriented parallel to (010). The [Mg(H₂O)₆]²⁺ polyhedra reside in the interlayers and provide three‐dimensional linkage of the uranyl selenate sheets via hydrogen bonding. In addition to H₂O groups attached to Mg²⁺ cations, both structures also contain H₂O molecules that are not bonded to any cation. The [(UO₂)₃(SeO₄)₅]^4‐ sheets in the structures of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ represent two different structural isomers. The sequences of the orientations of the tetrahedra within the sheets can be described by their orientational matrices with their shortened forms ( ddudd □ /uu □ uud ) and ( dd □ dd □ uu □ uu □ /uuduumdduddm ) for α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆, respectively. A short review on the isomerism of [(UO₂)₃(TO₄)₅]^4‐ sheets (T = S, Cr, Se, Mo) is given.     

Synthesis,Crystal Structures,and Optical Properties of AM2(OH)(SeO3)2 (A = Na,Rb; M = Mg,Zn)

Sodium magnesium selenite NaMg₂(OH)(SeO₃)₂ and rubidium zinc selenite RbZn₂(OH)(SeO₃)₂ were prepared by hydrothermal reactions. The crystal structures of the title compounds were determined by single‐crystal X‐ray diffraction. NaMg₂(OH)(SeO₃)₂ crystallizes in the orthorhombic space group Pnma (no. 62) with lattice parameters a = 13.1919(10), b = 6.0415(4), c = 8.2182(6) Å, and Z = 4 and RbZn₂(OH)(SeO₃)₂ crystallizes in the triclinic space group P$\bar{1}$ (no. 2) with lattice parameters a = 4.8698(5), b = 7.3446(8), c = 11.7796(12) Å, α = 82.554(3), β = 78.456(2), γ = 71.603(3)°,and Z = 2. The structure of NaMg₂(OH)(SeO₃)₂ is a three‐dimensional framework consisting of edge‐sharing MgO₆ octahedra and trigonal pyramidal SeO₃^2– groups, whereas the structure of RbZn₂(OH)(SeO₃)₂ is a two‐dimensional layers structure consisting of corner‐sharing [Zn₂O₇] dimers linked by trigonal pyramidal SeO₃^2– groups. The compounds were characterized by the solid state UV/Vis/NIR diffuse reflectance, and FT‐IR spectroscopy.     

Synthesis,Structure, and Optical Properties of New Cadmium Chalcogenide Clusters of the Type [Cd10E4(E'Ph)12(PR3)4], (E,E' = Te,Se, S)

New cadmium chalcogenide cluster molecules [Cd₁₀E₄(E'Ph)₁₂(PⁿPr₃)₄], E = Te, E' = Te ( 1 ) and [Cd₁₀E₄(E'Ph)₁₂ (PⁿPr₂Ph)₄] E = Te, E' = Se ( 2 ); E = Te E' = S ( 3 ); E = Se, E' = S ( 4 ) have been synthesized and structurally characterized by single crystal X‐ray structure analysis. The influence of the variation of the chalcogen atom is investigated by structural means and by optical spectroscopy. All cluster‐molecules have a broad emission in the blue‐visible range at low temperature as indicated by photo luminescence (PL) measurements. A clear classification of the emission peak position can be made based on the E' species suggesting that the emission is assigned to transitions associated with the cluster surface ligands. Photoluminescence excitation and absorption measurements display a systematic shift of the band gap to the higher energies with the variation of E and E' from Te to Se to S, as also occurs in the respective series of the bulk semiconductors.     

The First UV Nonlinear Optical Selenite Material: Fluorination Control in CaYF(SeO3)2 and Y3F(SeO3)4

It is a great challenge to develop UV nonlinear optical (NLO) material due to the demanding conditions of strong second harmonic generation (SHG) intensity and wide band gap. The first ultraviolet NLO selenite material, Y₃F(SeO₃)₄, has been obtained by control of the fluorine content in a centrosymmetric CaYF(SeO₃)₂. The two new compounds represent similar 3D structures composed of 3D yttrium open frameworks strengthened by selenite groups. CaYF(SeO₃)₂ has a large birefringence (0.138@532 nm and 0.127@1064 nm) and a wide optical band gap (5.06 eV). The non-centrosymmetric Y₃F(SeO₃)₄ can exhibit strong SHG intensity (5.5×KDP@1064 nm), wide band gap (5.03 eV), short UV cut-off edge (204 nm) and high thermal stability (690 °C). So, Y₃F(SeO₃)₄ is a new UV NLO material with excellent comprehensive properties. Our work shows that it is an effective method to develop new UV NLO selenite material by fluorination control of the centrosymmetric compounds.     

Synthesis,Characterization, and Thermostability of Four Novel Cadmium(II) Coordination Polymers with Mixed Ligands

Four novel mixed‐ligand complexes were obtained from the reaction of maleic acid, diimine chelating ligands and Cd(OH)₂ or CdO in a mixed solvent of water and methanol. The complexes were characterized by IR spectroscopy, elemental analysis, and single‐crystal X‐ray diffraction. The results show that all the four complexes are coordination polymers. [Cd(phen)(H₂O)(male)]_n · 2nH₂O ( 1 ) and [Cd(bipy)(H₂O)(male)]_n · 2nH₂O ( 2 ) (male = maleate; phen = 1, 10‐phenanthroline, bipy = 2, 2′‐bipyridine) are isomorphic, and the asymmetric unit is constructed by one Cd^II atom, a maleate group, a diimine ligand and two crystal water molecules. Each maleate group links two Cd^II atoms in a bis(bidentate) chelating mode, resulting in a 1D helical chain. Within [Cd(phen)(H₂O)₂(male)]_n · 2nH₂O ( 3 ), the maleate group bridges two Cd^II atoms in a bis(monodentate) chelating mode into a 1D helical chain along the [100] direction. The helical chain is decorated by phen groups alternatively at the two sides, and each phen plane of one chain is inserted in the void space between two adjacent phen ligands from an adjacent chain, resulting in a double zipper‐like chain. The asymmetric unit of [Cd₂(phen)₂(male)₂]_n ( 4 ) contains a Cd^II cation, one phen molecule, and a maleate group, and one bridging maleate group links three Cd^II atoms resulting in a 2D layer extending in [011] plane. The 2D networks are constructed by four kinds of rings formed by the central metal atom and maleate dianion. The thermostabilities of the four complexes were investigated.     

Low‐Dimensional Structural Units in Amine‐Templated Uranyl Oxoselenates(VI): Synthesis and Crystal Structures of [C3H12N2][(UO2)(SeO4)2(H2O)2](H2O), [C5H16N2]2[(UO2)(SeO4)2(H2O)](NO3)2, [C4H12N][(UO2)(SeO4)(NO3)], and [C4H14N2][(UO2)(SeO4)2(H2O)]

The crystals of four amine‐templated uranyl oxoselenates(VI), [C₃H₁₂N₂][(UO₂)(SeO₄)₂(H₂O)₂](H₂O) ( 1 ), [C₅H₁₆N₂]₂[(UO₂)(SeO₄)₂(H₂O)](NO₃)₂ ( 2 ), [C₄H₁₂N][(UO₂)(SeO₄)(NO₃)] ( 3 ), and [C₄H₁₄N₂][(UO₂)(SeO₄)₂(H₂O)] ( 4 ) were prepared by evaporation from aqueous solution of uranyl nitrate, selenic acid and the respective amine. The crystal structures of all four compounds have been solved by direct methods from X‐ray diffraction data. The structure of 1 (triclinic, , a = 7.5611(16), b = 7.7650(17), c = 12.925(3) Å, α = 94.605(18), β = 94.405(17), γ = 96.470(17)°, V = 748.8(3) ų, R₁ = 0.029 for 2769 unique observed reflections) is based upon 0D‐units of the composition [(UO₂)₂(SeO₄)₄(H₂O)₄]^4?. These discrete units are composed from two pentagonal [UO₇]^8? bipyramids linked via [SeO₄]^2? tetrahedra and are unknown in structural chemistry of uranium so far. The structure of 2 (monoclinic, C2/c, a = 28.916(5), b = 8.0836(10), c = 11.9856(16) Å, β = 110.909(11)°, V = 2617.1(6) ų, R₁ = 0.035 for 2578 unique observed reflections) contains [(UO₂)(SeO₄)₂(H₂O)]^2? chains of corner‐sharing pentagonal [UO₇]^8? bipyramids and [SeO₄]^2? tetrahedra. The chains run parallel to the c axis and are arranged into layers parallel to (100). In the structure of 3 (monoclinic, C2/m, a = 21.244(5), b = 7.1092(11), c = 8.6581(18) Å, β = 97.693(17)°, V = 1295.8(4) ų, R₁ = 0.027 for 1386 unique observed reflections), pentagonal [UO₇]^8? bipyramids share corners with three [SeO₄]^2? tetrahedra each and an edge with a [NO₃]^? anion to form [(UO₂)(SeO₄)(NO₃)]^? chains parallel to the b axis. In the structure of 4 (triclinic, , a = 6.853(2), b = 10.537(3), c = 10.574(3) Å, α = 99.62(3), β = 94.45(3), γ = 100.52(3)°, V = 735.6(4) ų, R₁ = 0.045 for 2713 unique observed reflections), one symmetrically independent pentagonal [UO₇]^8? bipyramid shares corners with four [SeO₄]^2? tetrahedra to form the [(UO₂)(SeO₄)₂(H₂O)]^2? chains parallel to the a axis. A comparison to related uranyl compounds is given.     

Hydrothermal Synthesis and Crystal Structures of Na2Be3(SeO3)4·H2O and Cs2[Mg(H2O)6]3(SeO3)4

The selenites, Na₂Be₃(SeO₃)₄ · H₂O and Cs₂[Mg(H₂O)₆]₃(SeO₃)₄, were synthesized under hydrothermal conditions. The crystal structures of Na₂Be₃(SeO₃)₄ · H₂O and Cs₂[Mg(H₂O)₆]₃(SeO₃)₄ were determined by single‐crystal X‐ray diffractions. Na₂Be₃(SeO₃)₄ · H₂O crystallizes in the triclinic space group P1 (no. 2) with unit cell parameters a = 4.8493(9), b = 12.013(2), c = 12.077(2) Å, and Z = 2, whereas Cs₂[Mg(H₂O)₆]₃(SeO₃)₄ crystallizes in the monoclinic space group C2/m (no. 12) with lattice cell parameters a = 12.596(6), b = 7.297(4), c = 16.914(8) Å, and Z = 2. Na₂Be₃(SeO₃)₄ · H₂O features a three‐dimensional open framework structure formed by BeO₄ tetrahedra and SeO₃ trigonal pyramids. Na cations and H₂O molecules are located in different tunnels. Cs₂[Mg(H₂O)₆]₃(SeO₃)₄ has a structure composed of isolated [Mg(H₂O)₆] octahedra and SeO₃ trigonal pyramids interacted by hydrogen bonds, and Cs cations are resided in‐between. Both compounds were characterized by thermogravimetric analysis and FT‐IR spectroscopy.     

[HN(C2H5)3][B5O6(OH)4]的合成、结构和热稳定性

利用水热法合成了五硼酸三乙胺[HN(C2H5)3][B5O6(OH)4], 并利用单晶X射线衍射技术解析了其结构, 同时利用傅立叶红外分析、元素分析及热分析技术加以佐证. 该化合物属于单斜晶系, 其空间群为P21/c, 相应的晶胞参数为a=1.0036(2) nm, b=1.1353(2) nm, c=1.4843(3) nm和β=106.54(3)°. 它由孤立的五硼酸阴离子[B5O6(OH)4]-和三乙胺阳离子[HN(C2H5)3]+构成. 五硼酸阴离子[B5O6(OH)4]-通过氢键构成三维网状结构, [HN(C2H5)3]+位于其中的孔道中.