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KMg(HP2O7)*2H2O |
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El Bali B, Tahiri A A, Lachkar M, Arriortua M I, Urtiaga M K |
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Acta Crystallographica E61 (2005) i275-i277 |
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Potassium magnesium hydrogendiphosphate dihydrate |
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Locality: synthetic |
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_database_code_amcsd 0010468 |
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15.5203 7.7786 6.4822 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .96413 .25 -.12003 .02210 .0179 .0295 .0188 0 .00018 0 |
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Mg1 .69513 .25 .56069 .01128 .0101 .0105 .0132 0 .0008 0 |
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P .86405 .06195 .36157 .01036 .0097 .00918 .01219 .00038 .00041 -.00174 |
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O4 .77213 .06553 .43220 .0151 .0102 .0129 .0221 -.0003 .0041 -.0029 |
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O1 .88901 .25 .2744 .0143 .0175 .0105 .0149 0 .0051 0 |
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O5W .89127 -.25 .8112 .0198 .0257 .0179 .0160 0 .0046 0 |
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H5W .8945 -.344 .708 .045 |
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O6W .71889 -.25 .3220 .0183 .0209 .0138 .0204 0 .0027 0 |
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H6W .7365 -.147 .391 .045 |
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O2 .92483 .03029 .54646 .0168 .0146 .0222 .0136 .0035 -.0031 .0008 |
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H2 .977 -.016 .516 .5 .045 |
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O3 .88318 -.05737 .18544 .0156 .0146 .0149 .0173 .0007 .0005 -.0074 |
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Hornesite |
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Rojo J M, Mesa J L, Pizarro J L, Lezama L, Arriortua M I, Rojo T |
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Materials Research Bulletin 31 (1996) 925-934 |
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Spectroscopic and magnetic study of the (Mg,M)3(AsO4)2*8H2O (M = Ni2+, Co2+) |
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arsenates |
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Locality: synthetic |
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Note: z(Wat2) corrected |
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_database_code_amcsd 0014376 |
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10.2573 13.4211 4.7526 90 105.076 90 C2/m |
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atom x y z occ Biso |
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MgM1 0 0 0 .648 .44 |
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NiM1 0 0 0 .352 .44 |
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MgM2 0 .3839 0 .918 .44 |
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NiM2 0 .3839 0 .082 .44 |
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As .3154 0 .3785 .44 |
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O1 .1498 0 .384 .44 |
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O2 .4065 0 .737 .44 |
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O3 .3370 .1108 .2168 .44 |
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Wat1 .0990 .1127 -.1885 .44 |
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Wat2 .4014 .2253 .7075 .44 |
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| Download AMC data (View Text File)
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Ahlfeldite |
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Larranaga A, Mesa J L, Pizarro J L, Pena A, Chapman J P, Arriortua M I, Rojo T |
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Materials Research Bulletin 40 (2005) 781-793 |
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Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O |
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(x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O |
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Locality: synthetic |
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_database_code_amcsd 0014382 |
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6.4681 8.7816 7.5668 90 98.927 90 P2_1/n |
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atom x y z occ Uiso |
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Ni -.3503 .1380 .9820 .6 .008 |
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Co -.3503 .1380 .9820 .4 .008 |
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Se .1025 .1523 .8371 .008 |
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O1 .1739 .3254 .7652 .012 |
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O2 -.0408 .1994 .9975 .013 |
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O3 .3279 .0924 .9667 .011 |
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O4w .1158 .4349 .2067 .014 |
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O5w -.4185 .3592 .9219 .015 |
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H1 .072 .365 .132 .028 |
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H2 .009 .501 .198 .028 |
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H3 -.339 .425 .869 .028 |
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H4 -.554 .368 .879 .028 |
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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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