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Uralolite |
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Mereiter K, Niedermayr G, Walter F |
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European Journal of Mineralogy 6 (1994) 887-896 |
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Uralolite, Ca2Be4(PO4)3(OH)3*5H2O: new data and crystal structure |
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_database_code_amcsd 0006579 |
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6.550 16.005 15.969 90 101.64 90 P2_1/n |
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atom x y z Biso |
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Ca1 .8791 .0829 .0676 .95 |
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Ca2 .1154 .0830 .4378 1.11 |
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Be1 .2408 .2623 .1268 .8 |
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Be2 .5904 .1664 .1766 .8 |
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Be3 .4163 .1628 .3315 1.0 |
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Be4 .7678 .2647 .3855 1.0 |
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P1 .3128 .1152 .0320 .76 |
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P2 .6904 .1235 .4836 .79 |
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P3 .0062 .2184 .2570 .77 |
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O1 .1778 .1714 .0785 1.0 |
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O2 .5351 .1120 .0867 1.0 |
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O3 .3183 .1491 -.0572 1.1 |
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O4 .2103 .0302 .0247 1.2 |
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O5 .8303 .1809 .4400 .9 |
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O6 .4773 .1133 .4227 1.0 |
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O7 .6524 .1612 .5667 1.3 |
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O8 .8073 .0421 .4993 1.2 |
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O9 .1274 .2747 .2065 1.1 |
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O10 -.1531 .1647 .1958 1.1 |
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O11 .1605 .1605 .3149 1.0 |
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O12 -.0995 .2739 .3124 1.0 |
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OH1 .4921 .2588 .1621 1.0 |
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OH2 .5142 .2575 .3435 1.1 |
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OH3 .5038 .1187 .2537 1.2 |
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Wat1 .7727 .1717 -.0507 2.6 |
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Wat2 .9404 -.0333 .1684 2.5 |
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Wat3 .2414 .1299 .5838 1.7 |
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Wat4 -.1463 .0122 .3254 2.7 |
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Wat5 .1241 .4449 .2900 5.7 |
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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 (permalink) |
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Uralolite |
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Mereiter K, Walter F |
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Mineralogy and Petrology 117 (2023) 181-189 |
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A crystal structure refinement of uralolite, Ca2Be4(PO4)3(OH)3*5H2O, from Weinebene, Austria |
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Locality: Brandruecken, Weinebene, Carinthia, Austria |
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_database_code_amcsd 0021219 |
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6.5530 16.005 15.979 90 101.630 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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Ca1 .87841 .08287 .06763 .01074 .0089 .0120 .01183 -.00126 .00331 -.00205 |
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Ca2 .11495 .08369 .43884 .01155 .0099 .0119 .0135 .00147 .00382 .00442 |
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Be1 .2398 .26152 .12751 .0093 .0074 .0116 .0088 .0004 .0012 .0010 |
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Be2 .5923 .16560 .17784 .0097 .0073 .0118 .0098 .0004 .0012 -.0014 |
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Be3 .4162 .16208 .33176 .0105 .0093 .0148 .0069 .0004 .0009 .0007 |
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Be4 .7637 .26486 .38608 .0093 .0082 .0108 .0090 -.0015 .0020 -.0005 |
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P1 .31246 .11545 .03228 .00735 .0063 .0088 .0069 -.00062 .00115 -.00079 |
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P2 .68992 .12317 .48463 .00780 .0071 .0083 .0078 .00034 .00101 .00039 |
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P3 .00586 .21818 .25743 .00776 .0067 .0104 .0063 -.0003 .00141 -.00032 |
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O1 .1775 .17157 .07859 .0120 .0082 .0140 .0142 -.0003 .0034 -.0045 |
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O2 .5352 .11183 .08707 .0109 .0073 .0156 .0094 .0006 .0009 -.0031 |
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O3 .3180 .14937 -.05699 .0125 .0151 .0137 .0090 .0022 .0034 .0019 |
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O4 .2093 .03011 .02492 .0127 .0136 .0116 .0133 -.0037 .0033 -.0019 |
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O5 .8296 .18080 .44152 .0111 .0088 .0116 .0132 .0000 .0029 .0038 |
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O6 .4767 .11259 .42332 .0121 .0094 .0168 .0092 -.0024 -.0005 .0029 |
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O7 .6522 .16129 .56729 .0159 .0176 .0190 .0123 -.0064 .0058 -.0068 |
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O8 .8080 .04204 .50107 .0154 .0129 .0112 .0229 .0032 .0052 .0050 |
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O9 .1251 .27449 .20707 .0117 .0141 .0125 .0099 -.0005 .0056 -.0009 |
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O10 -.1533 .16443 .19580 .0114 .0073 .0146 .0118 -.0010 .0008 -.0034 |
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O11 .1614 .15929 .31561 .0118 .0072 .0157 .0115 -.0004 -.0002 .0038 |
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O12 -.1014 .27411 .31295 .0123 .0133 .0142 .0113 .0000 .0066 -.0015 |
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O1H .4911 .25844 .16316 .0111 .0084 .0109 .0138 .0002 .0018 .0000 |
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O2H .5145 .25675 .34449 .0109 .0100 .0116 .0104 -.0001 .0007 .0010 |
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O3H .5043 .11826 .25425 .0120 .0136 .0134 .0103 -.0016 .0056 -.0011 |
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O1W .7724 .17108 -.05039 .0381 .0148 .0562 .0426 .0026 .0045 .0320 |
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O2W .9397 -.03259 .16825 .0288 .0463 .0197 .0184 -.0023 .0021 -.0007 |
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O3W .2411 .13029 .58450 .0213 .0157 .0237 .0246 -.0020 .0042 -.0036 |
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O4W -.1435 .01218 .32615 .0250 .0294 .0274 .0175 .0004 .0029 .0006 |
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O5W .1310 .44476 .28778 .0687 .063 .0318 .099 -.0006 -.0129 .0178 |
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H1H .5623 .2932 .1408 .061 |
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H2H .500 .2762 .29412 .061 |
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H3H .4639 .0684 .2427 .061 |
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H1A .8381 .1938 -.0852 .070 |
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H1B .6432 .1722 -.0727 .070 |
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H2A .8707 -.0726 .1412 .070 |
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H2B 1.0646 -.0490 .1851 .070 |
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H3A .3680 .1444 .5892 .070 |
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H3B .2375 .08461 .6113 .070 |
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H4A -.2471 .0442 .3094 .070 |
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H4B -.1091 -.0091 .28226 .070 |
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H5A .0383 .4251 .31265 .32 |
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H5B .1619 .4072 .25488 .32 |
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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 (permalink) |
| |
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