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Ca4Al2H22O20 |
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Francois M, Renaudin G, Evrard O |
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Acta Crystallographica C54 (1998) 1214-1217 |
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A cementitious compound with composition 3CaO*Al2O3*CaCO3*11H2O |
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_cod_database_code 1000459 |
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_database_code_amcsd 0010316 |
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5.7747 8.4689 9.923 64.77 82.75 81.43 P1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .51859 .12026 .80513 .0079 .0099 .0069 .0001 -.0027 -.0012 |
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Ca2 .47978 .88820 .19288 .0077 .0095 .0071 -.0011 -.0018 -.0009 |
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Ca3 .01418 .62138 .30979 .0078 .0098 .0070 -.0002 -.0029 -.0011 |
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Ca4 .97700 .38122 .69525 .0081 .0096 .0069 -.0011 -.0021 -.0007 |
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Al1 0 .00021 -.00018 .0061 .0077 .0050 -.0002 -.0021 -.0012 |
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Al2 .4929 .50613 .50349 .0066 .0074 .0051 -.0002 -.0018 -.0010 |
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O1 .1537 .2112 .9215 .012 .0098 .0097 -.0024 -.0019 -.0042 |
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O2 .8474 .7896 .0808 .0112 .0099 .0078 -.0019 -.0026 -.0035 |
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O3 .3064 .8910 .9790 .0089 .0102 .0115 .0016 -.0032 -.0047 |
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O4 .6953 .1150 .0185 .0089 .0093 .0115 .0003 -.0021 -.0042 |
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O5 .3452 .2925 .5784 .0109 .0102 .0076 -.0015 -.0033 -.0035 |
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O6 .6416 .7186 .4259 .0129 .0111 .0091 -.0023 -.0022 -.0036 |
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O7 .7985 .3945 .4857 .0094 .0101 .0080 .0012 -.0028 -.0040 |
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O8 .1862 .6129 .5262 .0088 .009 .0099 .0000 -.0014 -.0027 |
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O9 .0678 .9336 .2025 .0101 .0108 .0069 -.0005 -.0027 -.0034 |
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O10 .9301 .0676 .7998 .0106 .0136 .0052 .0019 -.0026 -.0040 |
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O11 .4271 .5743 .3012 .0107 .012 .0052 .0018 -.0024 -.0035 |
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O12 .5640 .4347 .7062 .0106 .0125 .0067 -.0007 -.0023 -.0035 |
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O13 .5887 .9018 .6866 .0261 .0288 .0318 .0032 -.0090 -.0159 |
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O14 .4084 .1055 .3088 .0207 .0196 .0243 -.004 -.0017 -.0110 |
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O15 .9112 .6001 .8143 .0253 .0226 .0225 -.0053 .0006 -.0096 |
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O16 .3436 .5562 .9531 .0242 .0306 .0243 .0005 -.0047 -.0132 |
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O17 .1221 .9433 .5596 .0405 .0269 .0250 -.0003 -.0042 -.0127 |
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O18 .7565 .4126 .0904 .0261 .0298 .0232 -.0010 -.0092 -.0085 |
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O19 .0767 .3952 .2037 .0138 .0203 .0233 -.0028 -.0042 -.0094 |
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O20 .8248 .1929 .3118 .0206 .0226 .0236 -.0042 -.0023 -.0122 |
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C1 .8852 .3334 .2016 .0127 .0171 .0175 .0020 -.0020 -.0126 |
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H1 .181 .241 .992 |
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H2 .842 .719 .032 |
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H3 .309 .807 .942 |
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H4 .690 .218 .022 |
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H5 .347 .225 .526 |
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H6 .664 .746 .503 |
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H7 .798 .314 .445 |
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H8 .173 .724 .519 |
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H9 .004 .968 .277 |
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H10 .025 .005 .755 |
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H11 .502 .499 .268 |
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H12 .504 .468 .782 |
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H13 .676 .798 .736 |
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H14 .430 .853 .695 |
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H15 .308 .205 .268 |
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H16 .543 .143 .313 |
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H17 .049 .627 .817 |
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H18 .872 .534 .914 |
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H19 .490 .490 .996 |
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H20 .233 .496 .032 |
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H21 -.022 .983 .519 |
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H22 .241 .988 .488 |
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CaFe3O5 |
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Evrard O, Malaman B, Jeannot F, Courtois A, Alebouyeh H, Gerardin R |
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Journal of Solid State Chemistry 35 (1980) 112-119 |
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Mise en evidence de CaFe4O6 et determination des structures cristalline des |
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ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance |
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Locality: synthetic |
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_database_code_amcsd 0013402 |
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3.021 10.009 12.643 90 90 90 Cmcm |
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atom x y z Biso |
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Ca 0 .5201 .25 .58 |
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Fe2+ 0 0 0 .48 |
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Fe3+ 0 .2664 .1112 .37 |
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O1 0 .191 .25 .61 |
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O2 0 .6439 .4484 .66 |
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O3 0 .9048 .1350 .71 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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CaFe4O6 |
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Evrard O, Malaman B, Jeannot F, Courtois A, Alebouyeh H, Gerardin R |
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Journal of Solid State Chemistry 35 (1980) 112-119 |
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Mise en evidence de CaFe4O6 et determination des structures cristalline des |
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ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance |
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Locality: synthetic |
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_database_code_amcsd 0013403 |
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3.050 9.986 15.321 90 90 90 Cmcm |
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atom x y z Biso |
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Ca 0 .6528 .25 .76 |
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Fe2+ 0 .1352 .4554 .39 |
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Fe3+ 0 .4028 .3629 .40 |
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O1 0 .3211 .25 .64 |
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O2 0 .7784 .4220 1.05 |
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O3 0 .0412 .3451 .76 |
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O4 0 .5 0 1.1 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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CaFe5O7 |
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Evrard O, Malaman B, Jeannot F, Courtois A, Alebouyeh H, Gerardin R |
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Journal of Solid State Chemistry 35 (1980) 112-119 |
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Mise en evidence de CaFe4O6 et determination des structures cristalline des |
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ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance |
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Locality: synthetic |
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_database_code_amcsd 0013404 |
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3.052 10.041 17.966 90 90 90 Cmcm |
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atom x y z Biso |
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Ca 0 .7876 .25 .98 |
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Fe2+1 0 .2735 .0749 .40 |
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Fe2+2 0 0 0 .35 |
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Fe3+ 0 .4636 .8462 .36 |
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O1 0 .459 .25 1.09 |
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O2 0 .911 .394 1.23 |
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O3 0 .172 .332 .87 |
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O4 0 .643 .468 .43 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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