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SrMgP2O7 |
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Tahiri A A, Bali B E, Lachkar M, Ouarsal R, Zavalij P Y |
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Acta Crystallographica E58 (2002) i9-i11 |
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SrMgP2O7 |
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_database_code_amcsd 0010374 |
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5.3046 8.3053 12.700 90 90.502 90 P2_1/n |
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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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Sr1 .21537 .33976 .72107 .01000 .0081 .0104 .0116 .00044 -.00060 -.0011 |
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Mg1 .6784 .1493 .89100 .0096 .0097 .0093 .0098 -.0003 -.0019 .0002 |
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P1 .7459 .03570 .66719 .0076 .0081 .0076 .0071 .0004 .0000 -.0002 |
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P2 .6868 .29990 .51986 .0076 .0072 .0086 .0070 -.0001 .0008 .0003 |
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O1 .7331 .1157 .5530 .0107 .0151 .0086 .0085 .0024 .0021 -.0006 |
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O2 .6831 -.1393 .6533 .0105 .0128 .0072 .0115 .0012 .0003 .0000 |
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O3 .0063 .0652 .7126 .0152 .0099 .0160 .0196 -.0012 -.0059 .0007 |
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O4 .5471 .1158 .7348 .0103 .0111 .0116 .0081 .0003 .0016 -.0022 |
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O5 .8049 .3115 .4118 .0111 .0091 .0172 .0070 -.0005 .0036 .0002 |
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O7 .4046 .3309 .5233 .0111 .0082 .0127 .0123 .0016 -.0006 .0013 |
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O6 .8275 .4043 .6000 .0105 .0125 .0093 .0096 -.0010 -.0024 -.0006 |
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K2Zn(H2P2O7)2*2H2O |
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Tahiri A A, ouarsal R, Lachkar M, Zavalij P Y, El Bali B |
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Acta Crystallographica E59 (2003) i50-i52 |
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Dipotassium zinc bis(dihydrogendiphosphate) dihydrate, K2Zn(H2P2O7)2*2H2O |
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_database_code_amcsd 0010404 |
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6.827 7.333 7.570 80.753 72.547 83.442 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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K1 .89203 .26588 .70406 .0330 .0422 .0272 .0347 .0050 -.0193 -.0088 |
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Zn1 .5 .5 .5 .0172 .0218 .0135 .0199 -.0022 -.0085 -.0069 |
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O1W .5496 .7084 .2659 .0249 .034 .019 .022 -.0068 -.0057 -.0045 |
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H1W .6116 .6620 .1712 .06 |
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H2W .5971 .7950 .2787 .10 |
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P1 .32331 .27285 .24797 .0165 .0189 .0152 .0182 -.0025 -.0077 -.0053 |
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P2 .75109 .18972 .24168 .0157 .0181 .0147 .0163 -.0024 -.0055 -.0059 |
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O1 .5623 .2317 .1528 .0222 .0193 .031 .0200 -.0003 -.0082 -.0106 |
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O2 .2936 .3926 .3967 .0189 .0205 .0159 .0261 -.0012 -.0096 -.0135 |
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O3 .2376 .3499 .0907 .0216 .0223 .025 .0206 -.0045 -.0114 .0016 |
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O4 .2362 .0815 .3359 .0246 .039 .0161 .0243 -.0084 -.0157 -.0006 |
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H4 .2492 .0549 .4414 .10 |
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O5 .7418 .3276 .3708 .0223 .0259 .0209 .0261 -.0024 -.0102 -.0144 |
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O6 .9303 .2144 .0615 .0220 .0221 .028 .0192 -.0107 -.0051 -.0083 |
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H6 .0168 .2738 .0775 .07 |
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O7 .7467 -.0092 .3307 .0257 .036 .020 .0218 -.0059 -.0102 .0004 |
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Ba2CoSi2O7 |
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El Bali B, Zavalij P Y |
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Acta Crystallographica E59 (2003) i59-i61 |
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Tetragonal form of barium cobalt disilicate, Ba2CoSi2O7 |
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_database_code_amcsd 0010406 |
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8.1709 8.1709 5.3374 90 90 90 P-42_1m |
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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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Ba .33427 .16573 .00875 .01252 .01256 .01256 .0124 .00251 .00097 -.00097 |
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Co 0 0 .5 .0087 .0068 .0068 .0126 0 0 0 |
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Si .63650 .13650 .5426 .0060 .0060 .0060 .0060 -.0012 .0006 .0006 |
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O1 .5 0 .6421 .0090 .013 .013 .001 -.006 0 0 |
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O2 .8056 .0780 .6806 .0094 .006 .011 .011 .0016 .0021 -.0017 |
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O3 .6393 .1393 .2445 .0130 .017 .017 .006 -.006 .0017 .0017 |
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K2Mn(H2P2O7)2*2H2O |
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Tahiri A A, Ouarsal R, Lachkar M, Zavalij P Y, El Bali B |
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Acta Crystallographica E59 (2003) i68-i69 |
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Dipotassium manganese(II) bis(dihydrogendiphosphate) dihydrate, K2Mn(H2P2O7)2*2H2O |
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_database_code_amcsd 0010408 |
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9.7613 11.1627 13.3949 90 90 90 Pnma |
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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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K1 .05769 .75 .59987 .0390 .0600 .0358 .0210 0 .0040 0 |
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K2 .74566 .75 .36729 .0339 .0267 .0216 .0536 0 .0076 0 |
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Mn1 .33051 .25 .36103 .01938 .0194 .0163 .0224 0 .0016 0 |
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O1W .4837 .25 .4806 .0277 .028 .022 .033 0 -.0085 0 |
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H1W .530 .193 .487 .047 |
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O2W .1915 .25 .2273 .0333 .028 .025 .047 0 -.0138 0 |
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H2W .149 .191 .219 .043 |
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P1 .43974 .51850 .27879 .01861 .0188 .0176 .0194 .0008 .0014 .0021 |
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P2 .24339 .51768 .44285 .01899 .0178 .0192 .0200 .0012 .0006 -.0009 |
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O1 .2142 .38573 .43567 .0251 .0253 .0208 .0290 .0002 .0093 -.0034 |
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O2 .1122 .5935 .45127 .0241 .0191 .0289 .0243 .0052 -.0028 -.0066 |
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H2 .058 .582 .412 .030 |
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O3 .3390 .55569 .52372 .0278 .0264 .0313 .0259 -.0053 -.0077 .0029 |
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O4 .3061 .56086 .33763 .0236 .0253 .0240 .0217 .0057 .0062 .0037 |
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O5 .5636 .5700 .33626 .0295 .0284 .0263 .0337 -.0065 -.0094 .0064 |
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H5 .595 .523 .384 .041 |
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O6 .4296 .57680 .17940 .0283 .0251 .0350 .0247 .0083 .0027 .0094 |
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O7 .44528 .38401 .28054 .0224 .0234 .0185 .0251 .0000 .0045 -.0013 |
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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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View JMOL 3-D Structure
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