Sr(Mg3Ge)N4 and Sr(Mg2Ga2)N4: New isostructural Mg-containing quaternary nitrides with nitridometallate anions of and in a 3D-network structure

Park, Dong Gon; Dong, Yongkwan; DiSalvo, Francis J.

doi:10.1016/j.solidstatesciences.2008.04.001

Cited by 39 publications

(72 citation statements)

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“…Taking quaternary compounds into account, only in Sr(Ga 2 Mg 2 )N 4 a higher degree of condensation of the (Ga/Mg)N 4 tetrahedra can be observed, building a three-dimensional network as well. 34 Some nitridogallates build either chains 16 or sheets 16,33 of GaN 4 sites whose coordination numbers vary from 4 to 8 (Figure 3). The fourfold coordination represents a distorted tetrahedron with rather short distances Ba3−N of 2.677 and 2.775 Å. Ba1 and Ba4 are coordinated by six nitrogen atoms in a distorted octahedron.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…Typically, alkaline earth ions are coordinated by four or six nitrogen atoms in nitridogallates or nitridosilicates. 15,16,38,39 In contrast, the coordination number eight of an alkaline earth ion in nitridogallates or (oxo)nitridosilicates is only known for LiSrGaN 2 , 33 Sr(Mg 2 Ga 2 )N 4 , 34 and BaSi 2 O 2 N 2 25 so far. An alternative description to the crystal structure may be achieved by introducing anion centered polyhedra.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

et al. 2012

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ABSTRACT:The alkaline earth nitridogallate Ba 3 Ga 3 N 5 was synthesized from the elements in a sodium flux at 760°C utilizing weld shut tantalum ampules. The crystal structure was solved and refined on the basis of single-crystal X-ray diffraction data. Ba 3 Ga 3 N 5 (space group C2/c (No. 15), a = 16.801(3), b = 8.3301(2), c = 11.623(2) Å, β = 109.92(3)°, Z = 8) contains a hitherto unknown structural motif in nitridogallates, namely, infinite strands made up of GaN 4 tetrahedra, each sharing two edges and at least one corner with neighboring GaN 4 units. There are three Ba 2+ sites with coordination numbers six or eight, respectively, and one Ba 2+ position exhibiting a low coordination number 4 corresponding to a distorted tetrahedron. Eu 2+ -doped samples show red luminescence when excited by UV irradiation at room temperature. Luminescence investigations revealed a maximum emission intensity at 638 nm (FWHM =2123 cm ). Ba 3 Ga 3 N 5 is the first nitridogallate for which parity allowed broadband emission due to Eu 2+ -doping has been found. The electronic structure of both Ba 3 Ga 3 N 5 as well as isoelectronic but not isostructural Sr 3 Ga 3 N 5 was investigated by DFT methods. The calculations revealed a band gap of 1.53 eV for Sr 3 Ga 3 N 5 and 1.46 eV for Ba 3 Ga 3 N 5 .

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

et al. 2012

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“…As a further note, it is tantalizing to observe that one low-density polymorph in our set of hypothetical polymorphs [ATN, see Fig. 1(f)] has been synthesized twice as a doped TBS: for ZnO as jK; Rbj½Zn 3 LiO 4 [36] and for GaN as jSrj½Ga 2 Mg 2 N 4 [37] (see highlighted points in Fig. 2 for undoped ATN-ZnO and ATN-GaN).…”

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confidence: 86%

Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids

2010

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For most inorganic solids, very few dense polymorphs and no low-density polymorphs are observed. Taking a wide range of tetrahedrally-coordinated binary solids (e.g., ZnO, GaN) as a prototypical system, we show that the apparent scarcity of low-density polymorphs is not due to significant structural or energetic limitations. Using databases of periodic networks as sources of novel crystal structures, followed by ab initio energy minimization, we predict a dense spectrum of low-density low-energy polymorphs. The diverse range of materials considered indicates that this is likely to be a general phenomenon. DOI: 10.1103/PhysRevLett.104.175503 PACS numbers: 61.50.Ah, 61.66.Fn, 71.15.Nc, 82.75.Fq The structure and properties of inorganic solids are intimately linked to such an extent that even different structures of the same composition (so-called polymorphs) often have widely differing properties and applications. For boron nitride (BN), for example, the soft hexagonal layered polymorph (h-BN) is used as a lubricant, while the cubic polymorph (wurtzite structure) is extremely hard and is employed as an industrial abrasive. Germanium also exhibits more than one polymorph (or more strictly ''allotrope'' for elemental systems) having very different optical properties; with the diamond structured -germanium having an indirect band gap, and the recently synthesized lowdensity clathrate-II structure [1] a direct gap. Evidently, having access to more than one polymorph can significantly extend the range of properties and applications of a particular compound. For the vast majority of inorganic solids, however, typically only three or fewer distinct polymorphs have been prepared experimentally and a similarly small number of hypothetical polymorphs have been proposed. Moreover, where more than one polymorph is known, these extra phases very rarely have a significantly lower density than the most stable polymorph.In stark contrast to this situation, silica (SiO 2 ) has been prepared as more than 40 polymorphs [2], the majority of which are considerably less dense than -quartz; the most stable polymorph under ambient conditions. The rich polymorphism of silica, especially in its low-density forms, allows for fine-tuning of applications (e.g., gas separation membranes) by choosing the best suited polymorph. In addition, 100 000þ hypothetical silica polymorphs have been predicted theoretically as fourfold-connected networks (4CNs) [3][4][5][6][7], a large fraction of which, after accurate theoretical evaluation as silica materials, were found to have comparable energetics to experimentally prepared polymorphs [8,9]. Similarly rich polymorphism has only been further observed for a select group of other inorganic solids, for example, aluminophosphates (AlPO 4 ). A tantalizing hint that there may as yet exist a greater pool of experimentally accessible polymorphs for many other inorganic solids is given by the recent low temperature deposition synthesis of the tetrahedral wurtzite polymorph of LiBr [10] (after previous theor...

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“…[8][9][10][11][12][13][14][15][16][17] Reactants used for the synthesis were NaN 3 (90.5 mg, Aldrich, 99%), Na (200 mg, Aldrich, 99%), Ca (22.4 mg, Aldrich, +99%), Ge (80.1 mg, Cerac, 99.999%), and Li (2.2 mg, Aldrich,99.9%). The molar ratio of Na:Ge:Ca:Li was 10:1:0.5:0.25.…”

Section: Methodsmentioning

confidence: 99%

Synthesis and Crystal Structure of a New Quaternary Nitride, Li₄Ca₁₃Ge₆N₁₈

Park¹,

Salvo²

2012

Bulletin of the Korean Chemical Society

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Sr(Mg3Ge)N4 and Sr(Mg2Ga2)N4: New isostructural Mg-containing quaternary nitrides with nitridometallate anions of and in a 3D-network structure

Cited by 39 publications

References 31 publications

Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids

Synthesis and Crystal Structure of a New Quaternary Nitride, Li₄Ca₁₃Ge₆N₁₈

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Sr(Mg3Ge)N4 and Sr(Mg2Ga2)N4: New isostructural Mg-containing quaternary nitrides with nitridometallate anions of and in a 3D-network structure

Cited by 39 publications

References 31 publications

Ba3Ga3N5—A Novel Host Lattice for Eu2+-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Ba3Ga3N5—A Novel Host Lattice for Eu2+-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids

Synthesis and Crystal Structure of a New Quaternary Nitride, Li4Ca13Ge6N18

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Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Ba₃Ga₃N₅—A Novel Host Lattice for Eu²⁺-Doped Luminescent Materials with Unexpected Nitridogallate Substructure

Synthesis and Crystal Structure of a New Quaternary Nitride, Li₄Ca₁₃Ge₆N₁₈