Structure of a high-pressure polymorph of Mg<sub>3</sub>BN<sub>3</sub> determined from X-ray powder data

Hiraguchi, Hideo; Hashizume, H.; Sasaki, Shinya; Nakano, Satoshi; Fukunaga, Osamu

doi:10.1107/s0108768192013533

Cited by 23 publications

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“…They are coordinated by six Na toms at distances of 2.228(2)-2.283(2) ( M = Mg) and 2.492(4)-2.501(4) ( M=Ca), respectively,i naslightly distorted octahedral arrangement( see Figure 9). These MÀNd istances are in good agreement with those in other known Mg (2.056-2.248 , CN(Mg) = 6) [30][31][32][33] and Ca compounds (2.419-2.598, CN(Ca) = 6), [34,35] as well as with the sums of the ionic radii. [36] The MN 6 octahedra are not interconnected with each other (see Figure 9c).…”

Section: Structure Descriptionsupporting

confidence: 86%

MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

Marchuk

Celinski

Günne

et al. 2015

Chemistry A European J

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Isotypic imidonitridophosphates MH4P6N12 (M = Mg, Ca) have been synthesized by high-pressure/high-temperature reactions at 8 GPa and 1000 °C starting from stoichiometric amounts of the respective alkaline-earth metal nitrides, P3N5, and amorphous HPN2. Both compounds form colorless transparent platelet crystals. The crystal structures have been solved and refined from single-crystal X-ray diffraction data. Rietveld refinement confirmed the accuracy of the structure determination. In order to quantify the amounts of H atoms in the respective compounds, quantitative solid-state (1)H NMR measurements were carried out. EDX spectroscopy confirmed the chemical compositions. FTIR spectra confirmed the presence of NH groups in both structures. The crystal structures reveal an unprecedented layered tetrahedral arrangement, built up from all-side vertex-sharing PN4 tetrahedra with condensed dreier and sechser rings. The resulting layers are separated by metal atoms.

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Section: Structure Descriptionsupporting

confidence: 86%

MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

Marchuk

Celinski

Günne

et al. 2015

Chemistry A European J

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“…After the discovery of nitridoborate compounds with linear [NBN] 3- ions, their structural chemistry has been widely explored for alkali (A), alkali earth (AE), and divalent rare earth (RE) nitridoborates with formulas A 3 (BN 2 ), − AE 3 (BN 2 ) 2 , − and RE 3 (BN 2 ) 2 , respectively. Great progress has been achieved by extending this chemistry toward the trivalent rare earth elements.…”

Section: Introductionmentioning

confidence: 99%

Syntheses and Structural Properties of Rare Earth Carbodiimides

2006

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Crystalline samples of rare earth carbodiimides were synthesized by solid-state metathesis reactions of rare earth trichlorides with lithium cyanamide in sealed silica ampules. Two distinct structures were determined by single-crystal X-ray diffraction. The structure determined for Sm2(CN2)3 [C2/m, Z = 2, a = 14.534(2) A, b = 3.8880(8) A, c = 5.2691(9) A, beta = 95.96(2) degrees , R1 = 0.0267, and wR2 = 0.0667] was assigned for RE2(CN2)3 compounds with RE = Y, Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er, and the structure determined for Lu2(CN2)3 [R32, Z = 3, a = 6.2732(8) A, c = 14.681(2) A, R1 = 0.0208, and wR2 = 0.0526] was assigned for the smallest rare earth ions with RE = Tm, Yb, and Lu by powder X-ray diffraction. Both types of crystal structures are characterized by layers of [NCN](2-) ions whose arrangements can be derived from the motif of a closest packed layer of sticks. These layers alternate with layers of rare earth ions in a one-by-one sequence. Different tilting arrangements of the N-C-N-axes relative to the stacking directions (c) and different arrangements of RE3+ ions within metal atom layers account for the two distinct structures in which Sm3+ and Lu3+ ions adopt the coordination numbers 7 and 6, respectively.

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“…Nitridoborate–nitride compounds of the type E 3 (BN 2 )N are verified for E=Mg22 and Ca 23. Mg 3 (BN 2 )N can be transformed into a high‐pressure modification, with a structure (space group Pmmm )24 topologically identical to the structure of Ca 3 (BN 2 )N (space group P 4/ mmm ) shown in Figure 2.…”

Section: Introductionmentioning

confidence: 99%

Nitridoborates of the Lanthanides: Synthesis, Structure Principles, and Properties of a New Class of Compounds

Blaschkowski

Jing

Meyer

2002

Angew. Chem. Int. Ed.

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Investigations of the nitridoborates of lanthanides (Ln) have progressed significantly during the last few years. New compounds have been synthesized and characterized and are presented here together with some of their properties. Currently two distinct methods serve for the preparation of nitridoborate compounds; either hexagonal boron nitride undergoes a fragmentation through the reaction with LnN, or dinitridoborate ions are converted into other nitridoborate ions. Lanthanide nitridoborates contain molecular anions such as [BN]n-, [BN2]3-, [B2N4]8-, [B3N6]9-, and [BN3]6- which may occur in combinations with other nitridoborates or with additional nitride ions. In crystal structures of lanthanide nitridoborates these anions are arranged in layers and are surrounded by metal atoms in a characteristic fashion. Terminal N atoms are capped by metal atoms forming a square-pyramid, and B atoms prefer a trigonal-prismatic environment of metal atoms. Nitridoborates form saltlike as well as metal-rich compounds and have the potential to show a lot of what are considered to be important solid-state properties, thus they have a good chance to establish their position within the group of relevant materials.

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Structure of a high-pressure polymorph of Mg₃BN₃ determined from X-ray powder data

Cited by 23 publications

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MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

Syntheses and Structural Properties of Rare Earth Carbodiimides

Nitridoborates of the Lanthanides: Synthesis, Structure Principles, and Properties of a New Class of Compounds

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Structure of a high-pressure polymorph of Mg3BN3 determined from X-ray powder data

Cited by 23 publications

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MH4P6N12 (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

MH4P6N12 (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

Syntheses and Structural Properties of Rare Earth Carbodiimides

Nitridoborates of the Lanthanides: Synthesis, Structure Principles, and Properties of a New Class of Compounds

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Structure of a high-pressure polymorph of Mg₃BN₃ determined from X-ray powder data

MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type

MH₄P₆N₁₂ (M=Mg, Ca): New Imidonitridophosphates with an Unprecedented Layered Network Structure Type