High-Pressure Synthesis of -P3N5 at 11 GPa and 1500 °C in a Multianvil Assembly: A Binary Phosphorus(V) Nitride with a Three-Dimensional Network Structure from PN4 Tetrahedra and Tetragonal PN5 Pyramids

Landskron, Kai; Huppertz, Hubert; Senker, Jürgen; Schnick, Wolfgang

doi:10.1002/1521-3773(20010716)40:14<2643::aid-anie2643>3.3.co;2-k

Cited by 12 publications

(17 citation statements)

References 6 publications

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“…[5] By using an opticalm icroscope,c olorless andp latelet-like single crystals of SrH 4 P 6 N 12 ,w ith an edge length up to 80 mm could be isolated (see Supporting Information, Figure S1). NH 4 Cl was added as mineralizer in the case of SrH 4 P 6 N 12 to enhance crystal growth, in order to obtain suitable single crystalsf or structure analysis.…”

Section: Resultsmentioning

confidence: 99%

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SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

Wendl

Schnick

2018

Chemistry A European J

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The (imido)nitridophosphates SrH P N and SrP N were synthesized as colorless crystals by high-pressure/high-temperature reactions using the multianvil technique (5 GPa, ca. 1075 °C). Stoichiometric amounts of Sr(N ) P N , and amorphous HPN were used as starting materials. Whereas the crystal structure of SrH P N was solved and refined from single-crystal X-ray diffraction data and confirmed by Rietveld refinement, the structure of SrP N was determined from powder diffraction data. In order to confirm the structures, H and P solid-state NMR spectroscopy and FTIR spectroscopy were carried out. The chemical composition was confirmed with EDX measurements. Both compounds show unprecedented layered network structure types, built up from all-side vertex-sharing PN tetrahedra which are structurally related. The structural comparison of both compounds gives first insights into the hitherto unknown condensation mechanism of nitridophosphates under high pressure.

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Section: Resultsmentioning

confidence: 99%

“…Representatives of silicate-analogous classes are for example,t he (imido)nitridophosphates. [5,10] Furthermore, calculations predicted the existence of afurtherhigh-pressure polymorph, d'-P 3 N 5 ,exhibiting trigonal bipyramids as fivefold coordination spheres of P, as well as sixfold coordinated Pi na no ctahedral environment. SiO 2 ).…”

Section: Introductionmentioning

confidence: 99%

SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

Wendl

Schnick

2018

Chemistry A European J

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“…[27] As maller differencei so bserved in PN(NH) with 2% (b-cristobalite-type PN(NH): 2.66, [23] b-PN(NH): 2.71 gcm À3 ) [25] and ah igher in P 3 N 5 with 32 %( a-P 3 N 5 :2 .77, g-P 3 N 5 :3.65 gcm À3 ). [15] Density functional theory calculations…”

Section: Comparison Of the Densitymentioning

confidence: 99%

Li₁₂P₃N₉ with Non‐Condensed [P₃N₉]¹²⁻‐Rings and its High‐Pressure Polymorph Li₄PN₃ with Infinite Chains of PN₄‐Tetrahedra

Bertschler

Niklaus

Schnick

2017

Chemistry A European J

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Li P N was synthesized by solid-state reaction of Li N and P N at 790 °C. It is made up of non-condensed [P N ] dreier-rings of PN -tetrahedra. The corresponding high-pressure polymorph, Li PN , was synthesized under high-pressure/high-temperature conditions from Li P N or LiPN and Li PN at 6 or 7 GPa, respectively, using the multianvil technique. Li PN is the first lithium catena-nitridophosphate and contains PN zweier-chains of corner sharing PN -tetrahedra. To confirm the structure elucidated from single-crystal X-ray data, Rietveld refinement, Li, Li, and P solid-state NMR spectroscopy, FTIR spectroscopy and EDX measurements were carried out. To examine the phase transition of Li P N to Li PN at 6 GPa and to corroborate the latter as the corresponding high-pressure polymorph, DFT calculations were conducted. Electronic band gap and electron localization function (ELF) calculations were carried out to elucidate the electronic properties and bonding behavior of both polymorphs.

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“…Beyond the only known stable phosphorus nitride, P 3 N 5 , which forms a variety of pressure-dependent phases30313233, we find that a novel phosphorus nitride skutterudite (PN 3 ) containing six-coordinated phosphorus can be formed at undemanding pressures (~10 GPa). PN 3 is the first reported nitrogen-based skutterudite.…”

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Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations

Raza

Errea

Oganov

et al. 2014

Sci Rep

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State of the art variable composition structure prediction based on density functional theory demonstrates that two new stoichiometries of PN, PN3 and PN2, become viable at high pressure. PN3 has a skutterudite-like Immm structure and is metastable with positive phonon frequencies at pressures between 10 and 100 GPa. PN3 is metallic and is the first reported nitrogen-based skutterudite. Its metallicity arises from nitrogen p-states which delocalise across N4 rings characteristic of skutterudites, and it becomes a good electron-phonon superconductor at 10 GPa, with a Tc of around 18 K. The superconductivity arises from strongly enhanced electron-phonon coupling at lower pressures, originating primarily from soft collective P-N phonon modes. The PN2 phase is an insulator with P2/m symmetry and is stable at pressures in excess of 200 GPa.

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High-Pressure Synthesis of -P3N5 at 11 GPa and 1500 °C in a Multianvil Assembly: A Binary Phosphorus(V) Nitride with a Three-Dimensional Network Structure from PN4 Tetrahedra and Tetragonal PN5 Pyramids

Cited by 12 publications

References 6 publications

SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

Li₁₂P₃N₉ with Non‐Condensed [P₃N₉]¹²⁻‐Rings and its High‐Pressure Polymorph Li₄PN₃ with Infinite Chains of PN₄‐Tetrahedra

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations

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High-Pressure Synthesis of -P3N5 at 11 GPa and 1500 °C in a Multianvil Assembly: A Binary Phosphorus(V) Nitride with a Three-Dimensional Network Structure from PN4 Tetrahedra and Tetragonal PN5 Pyramids

Cited by 12 publications

References 6 publications

SrH4P6N12 and SrP8N14: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

SrH4P6N12 and SrP8N14: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

Li12P3N9 with Non‐Condensed [P3N9]12−‐Rings and its High‐Pressure Polymorph Li4PN3 with Infinite Chains of PN4‐Tetrahedra

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations

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SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

SrH₄P₆N₁₂ and SrP₈N₁₄: Insights into the Condensation Mechanism of Nitridophosphates under High Pressure

Li₁₂P₃N₉ with Non‐Condensed [P₃N₉]¹²⁻‐Rings and its High‐Pressure Polymorph Li₄PN₃ with Infinite Chains of PN₄‐Tetrahedra