Polychalcogenophosphate flux synthesis of 1D-KInP2Se6 and 1D and 3D-NaCrP2S6

Servane Coste, Evgeni Kopnin, Michel Evain, Stéphane Jobic, Raymond Brec, Konstantinos Chondroudis, Mercouri G Kanatzidis

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Abstract

Three new chalcogenophosphates, 1D-KInP2Se6 (I), 1D-NaCrP2S6 (II) and 3D-NaCrP2S6 (III), have been synthesized and their structure determined from single crystal diffraction analysis. (I) and (II) crystallize in the monoclinic system (space group P21/n, No. 14) with cell parameters a = 7.5112(11), b = 6.4861(5), c = 22.789(2) Å and β = 98.912(16)° (V = 1096.9(2) Å3), Z = 4 and R/Rw(F2) = 0.0234/0.0387 (for 900 observed reflections and 92 refined parameters) for (I) and a = 7.0279(5), b = 5.8797(2), c = 21.2578(14) Å and β = 92.110(3)° (V = 877.82(9) Å3), Z = 4 and R/Rw(F2) = 0.0572/0.1151 (for 1455 observed reflections and 92 refined parameters) for (II). Both materials exhibit /∞[MP2Q6]- chains built upon [MQ6] octahedra (M = In, Cr; Q = Se, S) sharing edges to define /∞[MQ4]5- zigzag fibers which are capped by tetradentate ethane-like [P2Q6] groups. (III) crystallizes in the orthorhombic system (space group Fdd2, No. 43) with cell parameters a = 10.9742(7), b = 7.9828(6), c = 20.8590(19) Å (V = 1827.3(4) Å3), Z = 8 and R/Rw = 0.0184/0.0378 (for 967 observed reflections and 47 refined parameters), and displays a three-dimensional framework arrangement. Its structure is similar to that of TiP2S6 where titanium atoms are substituted for the chromium, the sodium atoms being inserted in the empty tunnels to ensure the charge balance. The exfoliation properties of 1D-NaCrP2S6 in polar solvents are reported.

Original languageEnglish
Pages (from-to)709-716
Number of pages8
JournalSolid State Sciences
Volume4
Issue number5
DOIs
Publication statusPublished - 2002

Fingerprint

Fluxes
synthesis
Atoms
Ethane
Chromium
Titanium
Tunnels
Diffraction
Sodium
Single crystals
cells
Fibers
ethane
atoms
tunnels
chromium
titanium
sodium
fibers
single crystals

Keywords

  • Chalcogenophosphates
  • Chromium
  • Exfoliation
  • Indium
  • One-dimensional compounds
  • Polymorphism
  • X-ray crystal determination

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Polychalcogenophosphate flux synthesis of 1D-KInP2Se6 and 1D and 3D-NaCrP2S6 . / Coste, Servane; Kopnin, Evgeni; Evain, Michel; Jobic, Stéphane; Brec, Raymond; Chondroudis, Konstantinos; Kanatzidis, Mercouri G.

In: Solid State Sciences, Vol. 4, No. 5, 2002, p. 709-716.

Research output: Contribution to journalArticle

Coste, Servane ; Kopnin, Evgeni ; Evain, Michel ; Jobic, Stéphane ; Brec, Raymond ; Chondroudis, Konstantinos ; Kanatzidis, Mercouri G. / Polychalcogenophosphate flux synthesis of 1D-KInP2Se6 and 1D and 3D-NaCrP2S6 In: Solid State Sciences. 2002 ; Vol. 4, No. 5. pp. 709-716.
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abstract = "Three new chalcogenophosphates, 1D-KInP2Se6 (I), 1D-NaCrP2S6 (II) and 3D-NaCrP2S6 (III), have been synthesized and their structure determined from single crystal diffraction analysis. (I) and (II) crystallize in the monoclinic system (space group P21/n, No. 14) with cell parameters a = 7.5112(11), b = 6.4861(5), c = 22.789(2) {\AA} and β = 98.912(16)° (V = 1096.9(2) {\AA}3), Z = 4 and R/Rw(F2) = 0.0234/0.0387 (for 900 observed reflections and 92 refined parameters) for (I) and a = 7.0279(5), b = 5.8797(2), c = 21.2578(14) {\AA} and β = 92.110(3)° (V = 877.82(9) {\AA}3), Z = 4 and R/Rw(F2) = 0.0572/0.1151 (for 1455 observed reflections and 92 refined parameters) for (II). Both materials exhibit /∞[MP2Q6]- chains built upon [MQ6] octahedra (M = In, Cr; Q = Se, S) sharing edges to define /∞[MQ4]5- zigzag fibers which are capped by tetradentate ethane-like [P2Q6] groups. (III) crystallizes in the orthorhombic system (space group Fdd2, No. 43) with cell parameters a = 10.9742(7), b = 7.9828(6), c = 20.8590(19) {\AA} (V = 1827.3(4) {\AA}3), Z = 8 and R/Rw = 0.0184/0.0378 (for 967 observed reflections and 47 refined parameters), and displays a three-dimensional framework arrangement. Its structure is similar to that of TiP2S6 where titanium atoms are substituted for the chromium, the sodium atoms being inserted in the empty tunnels to ensure the charge balance. The exfoliation properties of 1D-NaCrP2S6 in polar solvents are reported.",
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AU - Coste, Servane

AU - Kopnin, Evgeni

AU - Evain, Michel

AU - Jobic, Stéphane

AU - Brec, Raymond

AU - Chondroudis, Konstantinos

AU - Kanatzidis, Mercouri G

PY - 2002

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N2 - Three new chalcogenophosphates, 1D-KInP2Se6 (I), 1D-NaCrP2S6 (II) and 3D-NaCrP2S6 (III), have been synthesized and their structure determined from single crystal diffraction analysis. (I) and (II) crystallize in the monoclinic system (space group P21/n, No. 14) with cell parameters a = 7.5112(11), b = 6.4861(5), c = 22.789(2) Å and β = 98.912(16)° (V = 1096.9(2) Å3), Z = 4 and R/Rw(F2) = 0.0234/0.0387 (for 900 observed reflections and 92 refined parameters) for (I) and a = 7.0279(5), b = 5.8797(2), c = 21.2578(14) Å and β = 92.110(3)° (V = 877.82(9) Å3), Z = 4 and R/Rw(F2) = 0.0572/0.1151 (for 1455 observed reflections and 92 refined parameters) for (II). Both materials exhibit /∞[MP2Q6]- chains built upon [MQ6] octahedra (M = In, Cr; Q = Se, S) sharing edges to define /∞[MQ4]5- zigzag fibers which are capped by tetradentate ethane-like [P2Q6] groups. (III) crystallizes in the orthorhombic system (space group Fdd2, No. 43) with cell parameters a = 10.9742(7), b = 7.9828(6), c = 20.8590(19) Å (V = 1827.3(4) Å3), Z = 8 and R/Rw = 0.0184/0.0378 (for 967 observed reflections and 47 refined parameters), and displays a three-dimensional framework arrangement. Its structure is similar to that of TiP2S6 where titanium atoms are substituted for the chromium, the sodium atoms being inserted in the empty tunnels to ensure the charge balance. The exfoliation properties of 1D-NaCrP2S6 in polar solvents are reported.

AB - Three new chalcogenophosphates, 1D-KInP2Se6 (I), 1D-NaCrP2S6 (II) and 3D-NaCrP2S6 (III), have been synthesized and their structure determined from single crystal diffraction analysis. (I) and (II) crystallize in the monoclinic system (space group P21/n, No. 14) with cell parameters a = 7.5112(11), b = 6.4861(5), c = 22.789(2) Å and β = 98.912(16)° (V = 1096.9(2) Å3), Z = 4 and R/Rw(F2) = 0.0234/0.0387 (for 900 observed reflections and 92 refined parameters) for (I) and a = 7.0279(5), b = 5.8797(2), c = 21.2578(14) Å and β = 92.110(3)° (V = 877.82(9) Å3), Z = 4 and R/Rw(F2) = 0.0572/0.1151 (for 1455 observed reflections and 92 refined parameters) for (II). Both materials exhibit /∞[MP2Q6]- chains built upon [MQ6] octahedra (M = In, Cr; Q = Se, S) sharing edges to define /∞[MQ4]5- zigzag fibers which are capped by tetradentate ethane-like [P2Q6] groups. (III) crystallizes in the orthorhombic system (space group Fdd2, No. 43) with cell parameters a = 10.9742(7), b = 7.9828(6), c = 20.8590(19) Å (V = 1827.3(4) Å3), Z = 8 and R/Rw = 0.0184/0.0378 (for 967 observed reflections and 47 refined parameters), and displays a three-dimensional framework arrangement. Its structure is similar to that of TiP2S6 where titanium atoms are substituted for the chromium, the sodium atoms being inserted in the empty tunnels to ensure the charge balance. The exfoliation properties of 1D-NaCrP2S6 in polar solvents are reported.

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KW - One-dimensional compounds

KW - Polymorphism

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