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K2Ni(H2P2O7)2*2H2O |
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Tahiri A A, Messouri I, Lachkar M, Zavalij P Y, Glaum R, El Bali B, Rachid O |
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Acta Crystallographica E60 (2004) i3-i5 |
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Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate, K2Ni(H2P2O7)2*2H2O |
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_database_code_amcsd 0010416 |
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6.8554 7.3124 7.5610 81.012 72.301 83.691 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K .89190 .26756 .70308 .0343 .0414 .0312 .0335 .0084 -.0185 -.0060 |
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Ni .5000 .5000 .5000 .0171 .0183 .0166 .0171 -.0004 -.0059 -.0035 |
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P1 .32676 .27260 .24671 .0177 .0170 .0194 .0183 -.0010 -.0073 -.0034 |
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P2 .75328 .19077 .24060 .0172 .0169 .0186 .0161 .0000 -.0050 -.0031 |
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O1 .5669 .2310 .1500 .0234 .0181 .0336 .0210 .0028 -.0087 -.0080 |
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O2 .2983 .3920 .3973 .0207 .0172 .0226 .0224 -.0014 -.0047 -.0052 |
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O3 .2424 .3528 .0886 .0230 .0242 .0270 .0191 -.0052 -.0092 .0017 |
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O4 .2371 .0813 .3333 .0256 .0355 .0192 .0243 -.0070 -.0119 .0007 |
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H4 .248 .054 .435 .037 |
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O5 .7435 .3319 .3681 .0229 .0210 .0277 .0227 .0038 -.0083 -.0115 |
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O6 .9340 .2145 .0597 .0239 .0214 .0313 .0189 -.0062 -.0030 -.0056 |
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H6 1.021 .270 .068 .048 |
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O7 .7472 -.0067 .3329 .0263 .0359 .0202 .0238 -.0073 -.0118 .0040 |
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O1W .5489 .7052 .2727 .0237 .0312 .0197 .0184 -.0038 -.0036 -.0032 |
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H1W .608 .674 .174 .036 |
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H2W .596 .792 .286 .036 |
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Ba3V4(PO4)6 |
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Drob T, Glaum R |
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Acta Crystallographica E60 (2004) i58-i60 |
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The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6 |
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_database_code_amcsd 0010428 |
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9.8825 9.8825 9.8825 90 90 90 P2_13 |
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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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Ba1 .06743 .06743 .06743 .772 .0182 .0182 .0182 .0182 .00074 .00074 .00074 |
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Ba2 .29438 .29438 .29438 .728 .0282 .0282 .0282 .0282 .0107 .0107 .0107 |
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V1 .58620 .58620 .58620 .0073 .0073 .0073 .0073 -.0006 -.0006 -.0006 |
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V2 .85303 .85303 .85303 .0086 .0086 .0086 .0086 .0010 .0010 .0010 |
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P .62570 .46081 .27168 .0067 .0068 .0065 .0068 .0016 .0005 .0002 |
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O1 .6530 .5015 .4170 .0216 .0250 .0280 .0118 .0032 -.0028 -.0119 |
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O2 .7572 .4841 .1930 .0279 .0211 .032 .031 .0097 .0193 .0087 |
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O3 .5776 .3136 .2618 .0218 .0254 .0099 .0300 -.0046 -.0131 .0040 |
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O4 .5218 .5517 .2037 .0238 .0232 .0212 .0270 .0125 -.0084 .0011 |
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| 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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