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C12 H43 F6 Ga5 N4 O22 P4 |
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Josien L, Simon A, Gramlich V, Patarin J |
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Chemistry - A European Journal 8 (2002) 1614-1620 |
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Hydrothermal synthesis and characterization of the new layered |
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fluorogallophosphate Mu-23 |
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_cod_database_code 1004032 |
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_database_code_amcsd 0012195 |
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8.735 8.864 12.636 98.36 100.18 115.84 P-1 |
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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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Ga1 0 .5 0 .00893 .0055 .0099 .0100 .0023 .0026 .0025 |
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Ga2 .27456 .03080 .00642 .00971 .0060 .0099 .0133 .0032 .00440 .00271 |
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Ga3 .73844 .37774 -.27681 .01065 .0075 .0124 .0106 .0037 .00287 .00198 |
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P1 .60563 .22351 -.07886 .0097 .0055 .0103 .0135 .0028 .0044 .0041 |
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P2 .09343 .24599 .10892 .0093 .0064 .0091 .0114 .0030 .0030 .0015 |
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O4 .1917 .1410 .0939 .0155 .0159 .0179 .0170 .0123 .0057 .0014 |
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O8 .6693 .1434 -.3506 .0177 .031 .0094 .0149 .0110 .0102 .0014 |
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H8X .6497 .0624 -.3182 .040 |
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H8Y .6646 .1135 -.4198 .040 |
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O6 .4394 .1950 -.0410 .0148 .0092 .0163 .0216 .0058 .0084 .0082 |
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F2 .9032 .4362 -.3618 .0184 .0162 .0253 .0189 .0115 .0114 .0067 |
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F1 .9331 .4031 -.1601 .0136 .0101 .0177 .0122 .0067 .0031 .0015 |
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O3 .1911 .3793 .2189 .0136 .0142 .0119 .0123 .0060 .0014 -.0004 |
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O5 .3882 -.0501 .0988 .0151 .0165 .0133 .0158 .0095 .0009 .0008 |
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O9 .2324 .6451 -.0122 .0126 .0056 .0142 .0143 .0011 .0036 .0037 |
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O7 .5859 .2800 -.1855 .0142 .0098 .0189 .0162 .0070 .0063 .0075 |
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F3 .5600 .3730 -.3836 .0187 .0143 .0254 .0146 .0103 .0005 .0012 |
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O2 -.0936 .1177 .1159 .0127 .0069 .0137 .0143 .0019 .0053 .0017 |
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N1 -.1090 .7169 .3029 .0235 .016 .028 .034 .014 .0112 .012 |
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H1A -.0390 .6667 .3020 .5 .035 |
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O2W .8770 .2280 .3290 .0399 .046 .028 .040 .0066 .030 .0080 |
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H5W .9416 .3390 .3470 .040 |
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H4W .8568 .1897 .2582 .040 |
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O1W .6952 .0253 .4511 .0311 .026 .031 .026 .0046 .0093 .0022 |
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H1W .7530 .0892 .4115 .040 |
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H2W .5845 -.0403 .4167 .040 |
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N4 -.4156 .4343 .3329 .0203 .017 .026 .021 .0134 .0055 .0038 |
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H4A -.4854 .4846 .3341 .030 |
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C2 -.2720 .6120 .2109 .0261 .027 .043 .018 .024 .008 .009 |
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H2A -.2416 .6071 .1415 .039 |
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H2B -.3463 .6661 .2096 .039 |
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C5 -.2517 .5414 .4258 .0234 .022 .033 .018 .016 .004 .006 |
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H5C -.1767 .4881 .4274 .035 |
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H5D -.2823 .5464 .4951 .035 |
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C6 -.1551 .7212 .4114 .0249 .023 .027 .023 .012 .006 .001 |
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H6A -.2276 .7769 .4142 .037 |
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H6B -.0488 .7876 .4709 .037 |
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C3 -.3705 .4324 .2243 .0257 .027 .036 .017 .018 .007 .003 |
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H3A -.4768 .3680 .1646 .038 |
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H3B -.2995 .3752 .2205 .038 |
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C8 -.0124 .8945 .2886 .0417 .040 .035 .067 .023 .025 .029 |
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H8A .0154 .8882 .2184 .063 |
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H8B -.0848 .9505 .2905 .063 |
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H8C .0948 .9598 .3475 .063 |
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C7 -.5160 .2550 .3455 .0326 .028 .029 .036 .009 .006 .010 |
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H7A -.6207 .1890 .2849 .049 |
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H7B -.4419 .2007 .3462 .049 |
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H7C -.5483 .2602 .4142 .049 |
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O1 .0718 .3216 .0113 .0121 .0106 .0127 .0133 .0056 .0039 .0033 |
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F4 H8 N2 O Ti |
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Patarin J, Marcuccilli-Hoffner F, Kessler H, Daniels P |
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European Journal of Solid State and Inorganic Chemistry 31 (1994) 501-511 |
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Synthesis and structure determination of (N H4)2 Ti F4 O |
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_cod_database_code 1004024 |
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_database_code_amcsd 0012590 |
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6.3245 7.5422 11.0095 90 90.12 90 P2_1/m |
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atom x y z |
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Ti1 0 0 0 |
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Ti2 .5 .5 .5 |
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O1 .0769 .25 .0126 |
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O2 .5751 .25 .4874 |
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F1 .2285 .0496 .4359 |
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F2 .7286 .0496 .0643 |
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F3 .8928 .0338 .8407 |
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F4 .3931 .4660 .6593 |
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N1 .4216 .25 .1943 |
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N2 .9205 .25 .3041 |
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N3 .5070 .25 .8624 |
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N4 .0076 .25 .6390 |
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H1 .436 .153 .244 |
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H2 .537 .25 .158 |
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H3 .279 .25 .153 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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H96 N8 O68 P16 Zn8 |
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Reinert P, Zabukovec Logar N, Patarin J, Kaucic V |
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European Journal of Solid State and Inorganic Chemistry 35 (1998) 373-387 |
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Synthesis and structure of (Zn8 (H P O4)8 (H2 P O4)8) ((C2 H8 N)8)*4(H2 O) |
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_cod_database_code 1004025 |
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_database_code_amcsd 0012623 |
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12.6450 10.8477 14.6311 90 98.793 90 Cc |
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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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Zn1 .89857 .11832 .42272 .0148 .0186 .0143 -.0006 -.0016 -.0012 |
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Zn2 .15261 .36613 .50127 .0146 .0217 .0143 -.0024 -.0013 -.0025 |
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P1 .9153 .3713 .5415 .0120 .0185 .0189 -.0004 -.0031 -.0026 |
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P2 .1350 .1087 .3845 .0137 .0188 .0169 .0035 -.0009 -.0010 |
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P3 .1809 .5128 .31305 .0138 .0220 .0122 -.0030 -.0018 -.0003 |
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P4 .3676 .4755 .61224 .0147 .0190 .0131 .0012 -.0011 .0008 |
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O1 .0357 .3900 .5716 .015 .042 .012 -.002 -.002 -.004 |
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O2 .1583 .1977 .4632 .042 .024 .024 .005 -.005 -.003 |
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O3 .2667 .3990 .6005 .028 .054 .022 -.018 -.004 -.004 |
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O4 .1380 .4800 .4006 .037 .037 .019 .007 .012 .012 |
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O5 .0139 .0950 .3512 .008 .042 .019 .007 -.007 .001 |
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O6 .8881 .2867 .4605 .035 .020 .025 .000 -.010 -.013 |
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O7 .4072 .5002 .5213 .037 .031 .025 .009 .012 .009 |
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O8 .2731 .6025 .3269 .019 .032 .020 -.008 -.018 .002 |
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O9 .1856 -.0170 .4093 .023 .022 .030 .003 -.007 -.002 |
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O10 .3539 .5936 .6659 .044 .020 .033 -.002 .018 -.002 |
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O11 .0853 .5796 .2520 .022 .081 .019 .006 -.004 .008 |
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O12 .8663 .5009 .5178 .026 .021 .034 .001 -.011 -.008 |
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O13 .8634 .3256 .6264 .039 .033 .036 -.009 .020 -.007 |
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O14 .4600 .3980 .6680 .033 .048 .024 .017 -.004 .000 |
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O15 .2111 .3961 .2629 .064 .024 .051 -.014 .044 -.013 |
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O16 .1865 .1543 .2995 .027 .033 .024 -.002 .008 -.001 |
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N1 .2633 .8549 .2619 .040 .036 .026 .003 -.005 .001 |
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C1 .8678 .399 .2482 .051 .067 .046 -.003 .008 .018 |
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C2 .178 .8852 .1836 .075 .042 .037 .001 -.013 -.007 |
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N2 .5444 .3133 .4744 .038 .033 .067 .001 .022 -.008 |
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C3 .470 .257 .398 .052 .051 .092 .005 .001 -.011 |
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C4 .5991 .226 .5403 .051 .051 .057 .015 .005 -.002 |
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H1 .102 .594 .201 |
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H2 .808 .505 .534 |
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H3 .891 .362 .673 |
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H4 .469 .419 .722 |
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H5 .243 .4159 .221 |
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H6 .243 .117 .298 |
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H7 .2463 .8884 .3141 |
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H8 .2661 .7726 .2695 |
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H9 .889 .359 .196 |
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H10 .919 .382 .302 |
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H11 .865 .486 .238 |
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H12 .110 .857 .197 |
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H13 .193 .845 .128 |
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H14 .175 -.027 .174 |
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H15 .5938 .3571 .4501 |
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H16 .5075 .3662 .5049 |
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H17 .437 .321 .358 |
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H18 .416 .211 .423 |
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H19 .509 .203 .363 |
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H20 .547 .181 .569 |
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H21 .647 .269 .587 |
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H22 .639 .169 .509 |
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|
| Download AMC data (View Text File)
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| |
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