Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences
Identifieur interne : 000161 ( PascalFrancis/Corpus ); précédent : 000160; suivant : 000162Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences
Auteurs : Marie Colmont ; Laurent Delevoye ; EL MOSTAFA KETATNI ; Lionel Montagne ; Olivier MentreSource :
- Journal of solid state chemistry : (Print) [ 0022-4596 ] ; 2006.
Descripteurs français
- Pascal (Inist)
- Etude expérimentale, Résonance magnétique nucléaire, Paramètre cristallin, Déconvolution, Affinement, Diffraction RX, Diffraction neutron, Déplacement chimique, Solution solide, Bismuth phosphate, Magnésium phosphate, Zinc phosphate, Cobalt phosphate, Composé n éléments, BiZnMg2-xPO6, Bi Mg O P Zn, BiCdMg2-xPO6, Bi Cd Mg O P, 6166F, 7660C.
English descriptors
- KwdEn :
Abstract
Two solid solutions BiMxMg2-x)PO6 (with M2+ = Zn or Cd) have been studied through 31P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZnxMg(2-x)PO6 does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn2+ for Mg2+ substitution. On the other hand, the Cd2+ for Mg2+ substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd2+/Mg2+ mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a2 effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.
Notice en format standard (ISO 2709)
Pour connaître la documentation sur le format Inist Standard.
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Format Inist (serveur)
NO : | PASCAL 06-0397501 INIST |
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ET : | Structural and 31P NMR investigation of Bi(MM')2PO6 statistic solid solutions : Deconvolution of lattice constraints and cationic influences |
AU : | COLMONT (Marie); DELEVOYE (Laurent); EL MOSTAFA KETATNI; MONTAGNE (Lionel); MENTRE (Olivier) |
AF : | Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108/59650 Villeneuve d'Ascq/France (1 aut., 2 aut., 4 aut., 5 aut.); Laboratoire de Spectro-Chimie Appliqué et Environnement, Faculté des Sciences et Techniques. BP 523/Béni Mellal/Maroc (3 aut.) |
DT : | Publication en série; Niveau analytique |
SO : | Journal of solid state chemistry : (Print); ISSN 0022-4596; Coden JSSCBI; Etats-Unis; Da. 2006; Vol. 179; No. 7; Pp. 2111-2119; Bibl. 30 ref. |
LA : | Anglais |
EA : | Two solid solutions BiMxMg2-x)PO6 (with M2+ = Zn or Cd) have been studied through 31P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZnxMg(2-x)PO6 does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn2+ for Mg2+ substitution. On the other hand, the Cd2+ for Mg2+ substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd2+/Mg2+ mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a2 effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable. |
CC : | 001B60A66F1; 001B70F60C |
FD : | Etude expérimentale; Résonance magnétique nucléaire; Paramètre cristallin; Déconvolution; Affinement; Diffraction RX; Diffraction neutron; Déplacement chimique; Solution solide; Bismuth phosphate; Magnésium phosphate; Zinc phosphate; Cobalt phosphate; Composé n éléments; BiZnMg2-xPO6; Bi Mg O P Zn; BiCdMg2-xPO6; Bi Cd Mg O P; 6166F; 7660C |
FG : | Composé minéral; Métal transition composé |
ED : | Experimental study; Nuclear magnetic resonance; Lattice parameters; Deconvolution; Refinement; XRD; Neutron diffraction; Chemical shift; Solid solutions; Bismuth phosphates; Magnesium phosphates; Zinc phosphates; Cobalt phosphates; Multi-element compounds |
EG : | Inorganic compounds; Transition element compounds |
SD : | Afinamiento |
LO : | INIST-14677.354000138926910240 |
ID : | 06-0397501 |
Links to Exploration step
Pascal:06-0397501Le document en format XML
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P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
statistic solid solutions : Deconvolution of lattice constraints and cationic influences</title>
<author><name sortKey="Colmont, Marie" sort="Colmont, Marie" uniqKey="Colmont M" first="Marie" last="Colmont">Marie Colmont</name>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Structural and <sup>31</sup>
P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
statistic solid solutions : Deconvolution of lattice constraints and cationic influences</title>
<author><name sortKey="Colmont, Marie" sort="Colmont, Marie" uniqKey="Colmont M" first="Marie" last="Colmont">Marie Colmont</name>
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<author><name sortKey="Delevoye, Laurent" sort="Delevoye, Laurent" uniqKey="Delevoye L" first="Laurent" last="Delevoye">Laurent Delevoye</name>
<affiliation><inist:fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
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<author><name sortKey="El Mostafa Ketatni" sort="El Mostafa Ketatni" uniqKey="El Mostafa Ketatni" last="El Mostafa Ketatni">EL MOSTAFA KETATNI</name>
<affiliation><inist:fA14 i1="02"><s1>Laboratoire de Spectro-Chimie Appliqué et Environnement, Faculté des Sciences et Techniques. BP 523</s1>
<s2>Béni Mellal</s2>
<s3>MAR</s3>
<sZ>3 aut.</sZ>
</inist:fA14>
</affiliation>
</author>
<author><name sortKey="Montagne, Lionel" sort="Montagne, Lionel" uniqKey="Montagne L" first="Lionel" last="Montagne">Lionel Montagne</name>
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<series><title level="j" type="main">Journal of solid state chemistry : (Print)</title>
<title level="j" type="abbreviated">J. solid state chem. : (Print)</title>
<idno type="ISSN">0022-4596</idno>
<imprint><date when="2006">2006</date>
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<idno type="ISSN">0022-4596</idno>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Bismuth phosphates</term>
<term>Chemical shift</term>
<term>Cobalt phosphates</term>
<term>Deconvolution</term>
<term>Experimental study</term>
<term>Lattice parameters</term>
<term>Magnesium phosphates</term>
<term>Multi-element compounds</term>
<term>Neutron diffraction</term>
<term>Nuclear magnetic resonance</term>
<term>Refinement</term>
<term>Solid solutions</term>
<term>XRD</term>
<term>Zinc phosphates</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Etude expérimentale</term>
<term>Résonance magnétique nucléaire</term>
<term>Paramètre cristallin</term>
<term>Déconvolution</term>
<term>Affinement</term>
<term>Diffraction RX</term>
<term>Diffraction neutron</term>
<term>Déplacement chimique</term>
<term>Solution solide</term>
<term>Bismuth phosphate</term>
<term>Magnésium phosphate</term>
<term>Zinc phosphate</term>
<term>Cobalt phosphate</term>
<term>Composé n éléments</term>
<term>BiZnMg2-xPO6</term>
<term>Bi Mg O P Zn</term>
<term>BiCdMg2-xPO6</term>
<term>Bi Cd Mg O P</term>
<term>6166F</term>
<term>7660C</term>
</keywords>
</textClass>
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<front><div type="abstract" xml:lang="en">Two solid solutions BiM<sub>x</sub>
Mg<sub>2-x)</sub>
PO<sub>6</sub>
(with M<sup>2+</sup>
= Zn or Cd) have been studied through <sup>31</sup>
P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZn<sub>x</sub>
Mg<sub>(2-x</sub>
)PO<sub>6</sub>
does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn<sup>2+</sup>
for Mg<sup>2+</sup>
substitution. On the other hand, the Cd<sup>2+</sup>
for Mg<sup>2+</sup>
substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd<sup>2+</sup>
/Mg<sup>2+</sup>
mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a<sup>2</sup>
effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.</div>
</front>
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<fA08 i1="01" i2="1" l="ENG"><s1>Structural and <sup>31</sup>
P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
statistic solid solutions : Deconvolution of lattice constraints and cationic influences</s1>
</fA08>
<fA11 i1="01" i2="1"><s1>COLMONT (Marie)</s1>
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<fA11 i1="02" i2="1"><s1>DELEVOYE (Laurent)</s1>
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<fA11 i1="03" i2="1"><s1>EL MOSTAFA KETATNI</s1>
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<fA11 i1="04" i2="1"><s1>MONTAGNE (Lionel)</s1>
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<fA11 i1="05" i2="1"><s1>MENTRE (Olivier)</s1>
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<fA14 i1="01"><s1>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108</s1>
<s2>59650 Villeneuve d'Ascq</s2>
<s3>FRA</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>4 aut.</sZ>
<sZ>5 aut.</sZ>
</fA14>
<fA14 i1="02"><s1>Laboratoire de Spectro-Chimie Appliqué et Environnement, Faculté des Sciences et Techniques. BP 523</s1>
<s2>Béni Mellal</s2>
<s3>MAR</s3>
<sZ>3 aut.</sZ>
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<fA20><s1>2111-2119</s1>
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<fA47 i1="01" i2="1"><s0>06-0397501</s0>
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<fC01 i1="01" l="ENG"><s0>Two solid solutions BiM<sub>x</sub>
Mg<sub>2-x)</sub>
PO<sub>6</sub>
(with M<sup>2+</sup>
= Zn or Cd) have been studied through <sup>31</sup>
P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZn<sub>x</sub>
Mg<sub>(2-x</sub>
)PO<sub>6</sub>
does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn<sup>2+</sup>
for Mg<sup>2+</sup>
substitution. On the other hand, the Cd<sup>2+</sup>
for Mg<sup>2+</sup>
substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd<sup>2+</sup>
/Mg<sup>2+</sup>
mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a<sup>2</sup>
effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.</s0>
</fC01>
<fC02 i1="01" i2="3"><s0>001B60A66F1</s0>
</fC02>
<fC02 i1="02" i2="3"><s0>001B70F60C</s0>
</fC02>
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<s5>02</s5>
</fC03>
<fC03 i1="01" i2="3" l="ENG"><s0>Experimental study</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="3" l="FRE"><s0>Résonance magnétique nucléaire</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="3" l="ENG"><s0>Nuclear magnetic resonance</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="3" l="FRE"><s0>Paramètre cristallin</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="3" l="ENG"><s0>Lattice parameters</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="3" l="FRE"><s0>Déconvolution</s0>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="3" l="ENG"><s0>Deconvolution</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="X" l="FRE"><s0>Affinement</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="ENG"><s0>Refinement</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="X" l="SPA"><s0>Afinamiento</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE"><s0>Diffraction RX</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG"><s0>XRD</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE"><s0>Diffraction neutron</s0>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG"><s0>Neutron diffraction</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Déplacement chimique</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Chemical shift</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Solution solide</s0>
<s5>15</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Solid solutions</s0>
<s5>15</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Bismuth phosphate</s0>
<s2>NK</s2>
<s5>16</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Bismuth phosphates</s0>
<s2>NK</s2>
<s5>16</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Magnésium phosphate</s0>
<s2>NK</s2>
<s5>17</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Magnesium phosphates</s0>
<s2>NK</s2>
<s5>17</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE"><s0>Zinc phosphate</s0>
<s2>NK</s2>
<s5>18</s5>
</fC03>
<fC03 i1="12" i2="3" l="ENG"><s0>Zinc phosphates</s0>
<s2>NK</s2>
<s5>18</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Cobalt phosphate</s0>
<s2>NK</s2>
<s5>19</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Cobalt phosphates</s0>
<s2>NK</s2>
<s5>19</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Composé n éléments</s0>
<s5>20</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG"><s0>Multi-element compounds</s0>
<s5>20</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE"><s0>BiZnMg2-xPO6</s0>
<s4>INC</s4>
<s5>52</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE"><s0>Bi Mg O P Zn</s0>
<s4>INC</s4>
<s5>53</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>BiCdMg2-xPO6</s0>
<s4>INC</s4>
<s5>54</s5>
</fC03>
<fC03 i1="18" i2="3" l="FRE"><s0>Bi Cd Mg O P</s0>
<s4>INC</s4>
<s5>55</s5>
</fC03>
<fC03 i1="19" i2="3" l="FRE"><s0>6166F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>56</s5>
</fC03>
<fC03 i1="20" i2="3" l="FRE"><s0>7660C</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>57</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE"><s0>Composé minéral</s0>
<s5>48</s5>
</fC07>
<fC07 i1="01" i2="3" l="ENG"><s0>Inorganic compounds</s0>
<s5>48</s5>
</fC07>
<fC07 i1="02" i2="3" l="FRE"><s0>Métal transition composé</s0>
<s5>49</s5>
</fC07>
<fC07 i1="02" i2="3" l="ENG"><s0>Transition element compounds</s0>
<s5>49</s5>
</fC07>
<fN21><s1>261</s1>
</fN21>
<fN44 i1="01"><s1>PSI</s1>
</fN44>
<fN82><s1>PSI</s1>
</fN82>
</pA>
</standard>
<server><NO>PASCAL 06-0397501 INIST</NO>
<ET>Structural and <sup>31</sup>
P NMR investigation of Bi(MM')<sub>2</sub>
PO<sub>6</sub>
statistic solid solutions : Deconvolution of lattice constraints and cationic influences</ET>
<AU>COLMONT (Marie); DELEVOYE (Laurent); EL MOSTAFA KETATNI; MONTAGNE (Lionel); MENTRE (Olivier)</AU>
<AF>Laboratoire de eristallochimie et physicochimie du solide de Lille- UMR CNRS N° 8012-ENSCL, BP 108/59650 Villeneuve d'Ascq/France (1 aut., 2 aut., 4 aut., 5 aut.); Laboratoire de Spectro-Chimie Appliqué et Environnement, Faculté des Sciences et Techniques. BP 523/Béni Mellal/Maroc (3 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Journal of solid state chemistry : (Print); ISSN 0022-4596; Coden JSSCBI; Etats-Unis; Da. 2006; Vol. 179; No. 7; Pp. 2111-2119; Bibl. 30 ref.</SO>
<LA>Anglais</LA>
<EA>Two solid solutions BiM<sub>x</sub>
Mg<sub>2-x)</sub>
PO<sub>6</sub>
(with M<sup>2+</sup>
= Zn or Cd) have been studied through <sup>31</sup>
P MAS NMR. The analysis has been performed on the basis of refined crystal structures through X-ray diffraction and neutron diffraction. The BiZn<sub>x</sub>
Mg<sub>(2-x</sub>
)PO<sub>6</sub>
does not provide direct evidence for sensitive changes in the phosphorus local symmetry. This result is in good agreement with structural data which show nearly unchanged lattices and atomic separations through the Zn<sup>2+</sup>
for Mg<sup>2+</sup>
substitution. On the other hand, the Cd<sup>2+</sup>
for Mg<sup>2+</sup>
substitution behaves differently. Indeed, up to five resonances are observed, each corresponding to one of the five first-cationic neighbour distributions, i.e. 4Mg/0Cd, 3Mg/lCd, 2Mg/2Cd, 1Mg/3Cd and 0Mg/4Cd. Their intensities match rather well the expected weight for each configuration of the statistical Cd<sup>2+</sup>
/Mg<sup>2+</sup>
mixed occupancy. The match is further improved when one takes into account the influence of the 2nd cationic sphere that is available from high-field NMR data (18.8T). Finally, the fine examination of the chemical shift for each resonance versus x allows to de-convolute the mean Z/a<sup>2</sup>
effective field into two sub-effects: a lattice constraint-only term and a chemical-only term whose effects are directly quantifiable.</EA>
<CC>001B60A66F1; 001B70F60C</CC>
<FD>Etude expérimentale; Résonance magnétique nucléaire; Paramètre cristallin; Déconvolution; Affinement; Diffraction RX; Diffraction neutron; Déplacement chimique; Solution solide; Bismuth phosphate; Magnésium phosphate; Zinc phosphate; Cobalt phosphate; Composé n éléments; BiZnMg2-xPO6; Bi Mg O P Zn; BiCdMg2-xPO6; Bi Cd Mg O P; 6166F; 7660C</FD>
<FG>Composé minéral; Métal transition composé</FG>
<ED>Experimental study; Nuclear magnetic resonance; Lattice parameters; Deconvolution; Refinement; XRD; Neutron diffraction; Chemical shift; Solid solutions; Bismuth phosphates; Magnesium phosphates; Zinc phosphates; Cobalt phosphates; Multi-element compounds</ED>
<EG>Inorganic compounds; Transition element compounds</EG>
<SD>Afinamiento</SD>
<LO>INIST-14677.354000138926910240</LO>
<ID>06-0397501</ID>
</server>
</inist>
</record>
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