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

doi:10.1016/S1293-2558(02)01317-1

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

Chemistry

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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 language	English (US)
Pages (from-to)	709-716
Number of pages	8
Journal	Solid State Sciences
Volume	4
Issue number	5
DOIs	https://doi.org/10.1016/S1293-2558(02)01317-1
State	Published - 2002

Funding

E. Kopnin thanks the Conseil Regional des Pays de la Loire for financial support. The Center of Diffractometry X of the Université Rennes 1, Campus Beaulieu is thanked for collecting the X-ray data set of 1D-NaCrP 2 S 6 ( II ). Support from the National Science Foundation (DMR-0127644 for M.G.K.) is gratefully acknowledged.

Keywords

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

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1016/S1293-2558(02)01317-1

Cite this

@article{d75315be2f1840d389a5d38ad197f64b,

title = "Polychalcogenophosphate flux synthesis of 1D-KInP2Se6 and 1D and 3D-NaCrP2S6",

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.",

keywords = "Chalcogenophosphates, Chromium, Exfoliation, Indium, One-dimensional compounds, Polymorphism, X-ray crystal determination",

author = "Servane Coste and Evgeni Kopnin and Michel Evain and St{\'e}phane Jobic and Raymond Brec and Konstantinos Chondroudis and Kanatzidis, {Mercouri G.}",

note = "Funding Information: E. Kopnin thanks the Conseil Regional des Pays de la Loire for financial support. The Center of Diffractometry X of the Universit{\'e} Rennes 1, Campus Beaulieu is thanked for collecting the X-ray data set of 1D-NaCrP 2 S 6 ( II ). Support from the National Science Foundation (DMR-0127644 for M.G.K.) is gratefully acknowledged.",

year = "2002",

doi = "10.1016/S1293-2558(02)01317-1",

language = "English (US)",

volume = "4",

pages = "709--716",

journal = "Solid State Sciences",

issn = "1293-2558",

publisher = "Elsevier Masson SAS",

number = "5",

}

TY - JOUR

T1 - Polychalcogenophosphate flux synthesis of 1D-KInP2Se6 and 1D and 3D-NaCrP2S6

AU - Coste, Servane

AU - Kopnin, Evgeni

AU - Evain, Michel

AU - Jobic, Stéphane

AU - Brec, Raymond

AU - Chondroudis, Konstantinos

AU - Kanatzidis, Mercouri G.

N1 - Funding Information: E. Kopnin thanks the Conseil Regional des Pays de la Loire for financial support. The Center of Diffractometry X of the Université Rennes 1, Campus Beaulieu is thanked for collecting the X-ray data set of 1D-NaCrP 2 S 6 ( II ). Support from the National Science Foundation (DMR-0127644 for M.G.K.) is gratefully acknowledged.

PY - 2002

Y1 - 2002

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.

KW - Chalcogenophosphates

KW - Chromium

KW - Exfoliation

KW - Indium

KW - One-dimensional compounds

KW - Polymorphism

KW - X-ray crystal determination

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U2 - 10.1016/S1293-2558(02)01317-1

DO - 10.1016/S1293-2558(02)01317-1

M3 - Article

AN - SCOPUS:0036270488

SN - 1293-2558

VL - 4

SP - 709

EP - 716

JO - Solid State Sciences

JF - Solid State Sciences

IS - 5

ER -