Crystal structures of the new diphosphates, K2NiP2O7 and K6Sr2Ni5(P2O7)5
Identifieur interne : 000F61 ( Main/Exploration ); précédent : 000F60; suivant : 000F62Crystal structures of the new diphosphates, K2NiP2O7 and K6Sr2Ni5(P2O7)5
Auteurs : A. Elmaadi [Maroc] ; A. Boukhari [Maroc] ; E. M. HoltSource :
- Journal of chemical crystallography [ 1074-1542 ] ; 1995.
Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
Abstract
Crystalline K2NiP2O7 (I) : monoclinic, P21, a = 9.230(2), b = 17.540(8), c = 8.319(9)Å, β = 91.44(2)°, Z = 8, dcalc = 3.067 g cm-3, λMoKα = 0.71069Å, R/Rw = 6.5/9.4%, is characterized by the existence of face sharing NiO6 octahedra with Ni-Ni separation of 2.827Å (Ni-O ; 1.93(2) - 2.17(2)Å). K+ is seen in sites of seven, six, and fivefold coordination (K-O, averages ; 2.83(2), 2.81(2), and 2.77(2)Å, respectively). P2O74- groups are observed in semieclipsed conformation. K6Sr2Ni5(P2O7)5 (II) crystallizes in monoclinic space group P21/c ; a = 11.038(7), b = 9.533(13), c = 7.438(2)Å, β = 100.13(4)°, Dcalc = 3.309 g cm-3, Z = 2, R/Rw = 6.4/8.1%. Nickel atoms are distributed on planes parallel to the crystallographic (100) plane at x = 0 and x = 0.5. On the planes, x = 0, Ni2+ ions form successive linked trimers of edge sharing NiO6 octahedra (Ni-Ni, 3.018(1), 3.008(1)Å ; Ni-O, av 2.07(2)Å). The intermediate planes (x = 0.5) contain isolated and six coordinate Ni2+ ions (Ni-O av. 2.09(2)Å). Seven-coordinate potassium ions (K-O, av. 2.74(2)Å) are located on intermediate planes at x = 0.25 and 0.75. P2O74- groups are found in eclipsed conformation. Strontium atoms are located between nickel and potassium planes and are surrounded by seven oxygen atoms (Sr-O, av. 2.586(2)Å).
Affiliations:
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Le document en format XML
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NiP<sub>2</sub>
O<sub>7</sub>
and K<sub>6</sub>
Sr<sub>2</sub>
Ni<sub>5</sub>
(P<sub>2</sub>
O<sub>7</sub>
)<sub>5</sub>
</title>
<author><name sortKey="Elmaadi, A" sort="Elmaadi, A" uniqKey="Elmaadi A" first="A." last="Elmaadi">A. Elmaadi</name>
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<s2>Rabat</s2>
<s3>MAR</s3>
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<author><name sortKey="Boukhari, A" sort="Boukhari, A" uniqKey="Boukhari A" first="A." last="Boukhari">A. Boukhari</name>
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<s2>Rabat</s2>
<s3>MAR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
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<country>Maroc</country>
<placeName><settlement type="city">Rabat</settlement>
<region nuts="2">Rabat-Salé-Kénitra</region>
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</affiliation>
</author>
<author><name sortKey="Holt, E M" sort="Holt, E M" uniqKey="Holt E" first="E. M." last="Holt">E. M. Holt</name>
</author>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Crystal structures of the new diphosphates, K<sub>2</sub>
NiP<sub>2</sub>
O<sub>7</sub>
and K<sub>6</sub>
Sr<sub>2</sub>
Ni<sub>5</sub>
(P<sub>2</sub>
O<sub>7</sub>
)<sub>5</sub>
</title>
<author><name sortKey="Elmaadi, A" sort="Elmaadi, A" uniqKey="Elmaadi A" first="A." last="Elmaadi">A. Elmaadi</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Univ. Mohammed V, fac. sci., lab. chimie solide appliquée</s1>
<s2>Rabat</s2>
<s3>MAR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Maroc</country>
<placeName><settlement type="city">Rabat</settlement>
<region nuts="2">Rabat-Salé-Kénitra</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Boukhari, A" sort="Boukhari, A" uniqKey="Boukhari A" first="A." last="Boukhari">A. Boukhari</name>
<affiliation wicri:level="3"><inist:fA14 i1="01"><s1>Univ. Mohammed V, fac. sci., lab. chimie solide appliquée</s1>
<s2>Rabat</s2>
<s3>MAR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>Maroc</country>
<placeName><settlement type="city">Rabat</settlement>
<region nuts="2">Rabat-Salé-Kénitra</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Holt, E M" sort="Holt, E M" uniqKey="Holt E" first="E. M." last="Holt">E. M. Holt</name>
</author>
</analytic>
<series><title level="j" type="main">Journal of chemical crystallography</title>
<title level="j" type="abbreviated">J. chem. crystallogr.</title>
<idno type="ISSN">1074-1542</idno>
<imprint><date when="1995">1995</date>
</imprint>
</series>
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<seriesStmt><title level="j" type="main">Journal of chemical crystallography</title>
<title level="j" type="abbreviated">J. chem. crystallogr.</title>
<idno type="ISSN">1074-1542</idno>
</seriesStmt>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Crystal structure</term>
<term>Experimental study</term>
<term>Multi-element compounds</term>
<term>Nickel Pyrophosphates</term>
<term>Nickel phosphates</term>
<term>Potassium Pyrophosphates</term>
<term>Potassium phosphates</term>
<term>Quaternary compounds</term>
<term>Strontium Pyrophosphates</term>
<term>Strontium phosphates</term>
<term>XRD</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Etude expérimentale</term>
<term>Composé quaternaire</term>
<term>Potassium phosphate</term>
<term>Nickel phosphate</term>
<term>Potassium Diphosphate</term>
<term>Nickel Diphosphate</term>
<term>Strontium phosphate</term>
<term>Strontium Diphosphate</term>
<term>Composé n éléments</term>
<term>XRD</term>
<term>Structure cristalline</term>
<term>6166F</term>
<term>K2NiP2O7</term>
<term>K Ni O P</term>
<term>K6Sr2Ni5(P2O7)5</term>
<term>K Ni O P Sr</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Crystalline K<sub>2</sub>
NiP<sub>2</sub>
O<sub>7</sub>
(I) : monoclinic, P2<sub>1</sub>
, a = 9.230(2), b = 17.540(8), c = 8.319(9)Å, β = 91.44(2)°, Z = 8, d<sub>calc</sub>
= 3.067 g cm<sup>-3</sup>
, λMoK<sub>α</sub>
= 0.71069Å, R/R<sub>w</sub>
= 6.5/9.4%, is characterized by the existence of face sharing NiO<sub>6</sub>
octahedra with Ni-Ni separation of 2.827Å (Ni-O ; 1.93(2) - 2.17(2)Å). K<sup>+</sup>
is seen in sites of seven, six, and fivefold coordination (K-O, averages ; 2.83(2), 2.81(2), and 2.77(2)Å, respectively). P<sub>2</sub>
O<sub>7</sub>
<sup>4-</sup>
groups are observed in semieclipsed conformation. K<sub>6</sub>
Sr<sub>2</sub>
Ni<sub>5</sub>
(P<sub>2</sub>
O<sub>7</sub>
)<sub>5</sub>
(II) crystallizes in monoclinic space group P2<sub>1</sub>
/c ; a = 11.038(7), b = 9.533(13), c = 7.438(2)Å, β = 100.13(4)°, D<sub>calc</sub>
= 3.309 g cm<sup>-3</sup>
, Z = 2, R/R<sub>w</sub>
= 6.4/8.1%. Nickel atoms are distributed on planes parallel to the crystallographic (100) plane at x = 0 and x = 0.5. On the planes, x = 0, Ni<sup>2+</sup>
ions form successive linked trimers of edge sharing NiO<sub>6</sub>
octahedra (Ni-Ni, 3.018(1), 3.008(1)Å ; Ni-O, av 2.07(2)Å). The intermediate planes (x = 0.5) contain isolated and six coordinate Ni<sup>2+</sup>
ions (Ni-O av. 2.09(2)Å). Seven-coordinate potassium ions (K-O, av. 2.74(2)Å) are located on intermediate planes at x = 0.25 and 0.75. P<sub>2</sub>
O<sub>7</sub>
<sup>4-</sup>
groups are found in eclipsed conformation. Strontium atoms are located between nickel and potassium planes and are surrounded by seven oxygen atoms (Sr-O, av. 2.586(2)Å).</div>
</front>
</TEI>
<affiliations><list><country><li>Maroc</li>
</country>
<region><li>Rabat-Salé-Kénitra</li>
</region>
<settlement><li>Rabat</li>
</settlement>
</list>
<tree><noCountry><name sortKey="Holt, E M" sort="Holt, E M" uniqKey="Holt E" first="E. M." last="Holt">E. M. Holt</name>
</noCountry>
<country name="Maroc"><region name="Rabat-Salé-Kénitra"><name sortKey="Elmaadi, A" sort="Elmaadi, A" uniqKey="Elmaadi A" first="A." last="Elmaadi">A. Elmaadi</name>
</region>
<name sortKey="Boukhari, A" sort="Boukhari, A" uniqKey="Boukhari A" first="A." last="Boukhari">A. Boukhari</name>
</country>
</tree>
</affiliations>
</record>
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