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Ba(ZnPO4)2 |
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Lucas F, Elfakir A, Wallez G, Quarton M |
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The Canadian Mineralogist 36 (1998) 1045-1051 |
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Synthesis and rietveld refinement of new phosphate and arsenate analogues of |
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paracelsian |
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Sample: Ba(ZnPO4)2 |
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_database_code_amcsd 0005554 |
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8.5783 9.7383 9.1446 90 91.394 90 P2_1/c |
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atom x y z Biso |
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Ba .2518 .4164 .8970 .35 |
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ZnT1o .9270 .9271 .2089 .34 |
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PT1m .5549 .9110 .2420 .34 |
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PT2o .9564 .2050 .0677 .34 |
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ZnT2m .5831 .1810 .0588 .34 |
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O1o .998 .1143 .195 .9 |
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O1m .491 .0500 .194 .9 |
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O2o .945 .3488 .125 .9 |
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O2m .545 .362 .136 .9 |
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O3o .086 .196 .959 .9 |
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O3m .447 .190 .8828 .9 |
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O4 .8005 .168 .007 .9 |
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O5 .7221 .912 .2991 .9 |
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Ba(ZnAsO4)2 |
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Lucas F, Elfakir A, Wallez G, Quarton M |
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The Canadian Mineralogist 36 (1998) 1045-1051 |
|
Synthesis and rietveld refinement of new phosphate and arsenate analogues of |
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paracelsian |
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Sample: Ba(ZnAsO4)2 |
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_database_code_amcsd 0005555 |
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8.8083 9.9821 9.4089 90 91.465 90 P2_1/c |
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atom x y z Biso |
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Ba .2500 .4147 .8908 .90 |
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ZnT1o .9286 .9250 .2207 .40 |
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AsT1m .5593 .9119 .2451 .40 |
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AsT2o .9472 .2022 .0653 .40 |
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ZnT2m .5791 .1854 .0535 .40 |
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O1o .005 .1081 .199 1.7 |
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O1m .499 .0598 .190 1.7 |
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O2o .939 .3585 .122 1.7 |
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O2m .558 .3640 .132 1.7 |
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O3o .080 .190 .9481 1.7 |
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O3m .444 .195 .8862 1.7 |
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O4 .7856 .148 .001 1.7 |
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O5 .7313 .924 .3144 1.7 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Sr(ZnAsO4)2 |
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Lucas F, Elfakir A, Wallez G, Quarton M |
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The Canadian Mineralogist 36 (1998) 1045-1051 |
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Synthesis and rietveld refinement of new phosphate and arsenate analogues of |
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paracelsian |
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Sample: Sr(ZnAsO4)2 |
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_database_code_amcsd 0005556 |
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8.5804 9.7183 9.2908 90 92.085 90 P2_1/c |
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atom x y z Biso |
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Sr .2525 .4161 .8872 1.03 |
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ZnT1o .9285 .9285 .2209 .70 |
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AsT1m .5586 .9152 .2513 .70 |
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AsT2o .9518 .2043 .0606 .70 |
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ZnT2m .5789 .1851 .0490 .70 |
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O1o .026 .1115 .196 1.4 |
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O1m .487 .0625 .190 1.4 |
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O2o .935 .3672 .117 1.4 |
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O2m .561 .3728 .122 1.4 |
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O3o .082 .203 .9394 1.4 |
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O3m .432 .199 .8794 1.4 |
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O4 .7878 .141 .002 1.4 |
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O5 .7330 .940 .3291 1.4 |
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View JMOL 3-D Structure
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ZrW2O8 |
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Auray M, Quarton M, Leblanc M |
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Acta Crystallographica C51 (1995) 2210-2213 |
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Zirconium tungstate |
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_cod_database_code 1000396 |
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_database_code_amcsd 0010303 |
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9.1546 9.1546 9.1546 90 90 90 P2_13 |
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atom x y z |
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Zr1 .7515 .7515 .7515 |
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W1 .3509 .3509 .3509 |
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W2 .0913 .0913 .0913 |
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O1 .2414 .2414 .2414 |
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O2 .9833 .9833 .9833 |
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O3 .3058 .3200 .5381 |
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O4 .1974 .1883 .9573 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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F6 Fe Nb |
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Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
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Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
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Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
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structure of Fe Nb F6 |
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_cod_database_code 1000243 |
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_database_code_amcsd 0013062 |
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5.4201 5.4201 14.072 90 90 120 R-3 |
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atom x y z |
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F1 .2588 .3409 .0866 |
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Fe1 0 0 0 |
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Nb1 0 0 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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F6 Fe Nb |
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Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
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Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
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Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
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structure of Fe Nb F6 |
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_cod_database_code 1000244 |
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_database_code_amcsd 0013063 |
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5.3942 5.3942 14.1457 90 90 120 R-3 |
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atom x y z |
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F1 .2674 .3504 .0883 |
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Fe1 0 0 0 |
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Nb1 0 0 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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F6 Fe Nb |
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Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
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Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
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Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
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_cod_database_code 1000245 |
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_database_code_amcsd 0013064 |
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7.793 7.7398 7.7435 86.585 87.046 86.138 P-1 |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 0 .5 .5 |
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Fe3 .5 .5 0 |
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Fe4 .5 0 .5 |
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Nb1 .5 0 0 |
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Nb2 0 .5 0 |
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Nb3 0 0 .5 |
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Nb4 .5 .5 .5 |
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F1 .0449 .2508 -.0583 |
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F2 -.0583 .0449 .2508 |
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F3 .2508 -.0583 .0449 |
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F4 .0449 .7508 .4417 |
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F5 .4417 .0449 .7508 |
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F6 .7508 .4417 .0449 |
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F7 .5449 .7508 -.0583 |
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F8 -.0583 .5449 .7508 |
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F9 .7508 -.0583 .5449 |
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F10 .5449 .2508 .4417 |
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F11 .4417 .5449 .2508 |
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F12 .2508 .4417 .5449 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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F6 Fe Nb |
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Delobbe V, Chassaing J, Bizot D, Quarton M, Lacorre P, Calage Y, Leblanc M, Ferey G |
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Journal of Magnetism and Magnetic Materials 74 (1988) 165-176 |
|
Fluorocomplexes of Niobium IV; VI: Mossbauer study and magnetic |
|
structure of Fe Nb F6 |
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_cod_database_code 1000246 |
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_database_code_amcsd 0013065 |
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7.7994 7.7143 7.7206 86.483 86.968 85.687 P-1 |
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atom x y z |
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Fe1 0 0 0 |
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Fe2 0 .5 .5 |
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Fe3 .5 .5 0 |
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Fe4 .5 0 .5 |
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Nb1 .5 0 0 |
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Nb2 0 .5 0 |
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Nb3 0 0 .5 |
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Nb4 .5 .5 .5 |
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F1 .0576 .2441 -.0527 |
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F2 -.0527 .0576 .2441 |
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F3 .2441 -.0527 .0576 |
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F4 .0576 .7441 .4473 |
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F5 .4473 .0576 .7441 |
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F6 .7441 .4473 .0576 |
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F7 .5576 .7441 -.0527 |
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F8 -.0527 .5576 .7441 |
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F9 .7441 -.0527 .5576 |
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F10 .5576 .2441 .4473 |
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F11 .4473 .5576 .2441 |
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F12 .2441 .4473 .5576 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
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