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Diegogattaite |
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Welch M D, Rumsey M S |
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Journal of Solid State Chemistry 203 (2013) 260-265 |
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A new naturally-occurring nanoporous copper sheet-silicate |
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with 6482 cages related to synthetic "CuSH" phases |
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Locality: Wessels Mine, Kalahari manganese fields, Cape Province, South Africa |
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_database_code_amcsd 0019943 |
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12.2439 15.7514 10.6008 90 125.623 90 C2/m |
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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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Na1 .4785 0 .0157 .5 .0296 .030 .0122 .020 0 -.0004 0 |
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Na2 .0760 0 .3913 .0172 .0251 .0113 .0161 0 .0125 0 |
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Na3 0 0 0 .0258 .0230 .0113 .056 0 .030 0 |
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Ca 0 .24495 .5 .00714 .0064 .0072 .0087 0 .0048 0 |
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Cu .22594 .15565 .42720 .00779 .0063 .0107 .0070 .00177 .00420 .00166 |
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Si1 .06829 .15426 .86618 .00588 .0057 .0066 .0061 .0007 .0038 .0005 |
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Si2 .21673 .10091 .71907 .00572 .0055 .0059 .0070 .0001 .0043 .0004 |
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Si3 .29765 .09673 .20329 .00580 .0056 .0059 .0061 .0002 .0035 .0002 |
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Si4 .47078 .17027 .78494 .00602 .0055 .0063 .0068 -.0004 .0039 .0002 |
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O1 .3217 .16386 .3292 .0093 .0104 .0094 .0102 .0034 .0071 .0041 |
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O2 .3786 .11848 .82622 .0082 .0055 .0105 .0086 -.0005 .0042 .0017 |
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O3 .1475 .15607 .7840 .0099 .0125 .0097 .0131 .0007 .0106 -.0004 |
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O4 .4461 .24797 .0972 .0099 .0126 .0079 .0087 .0031 .0060 .0004 |
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O5 .0702 .10518 .2413 .0092 .0068 .0107 .0084 -.0004 .0034 .0006 |
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O6 .4210 .09833 .1838 .0112 .0106 .0103 .0165 .0023 .0101 .0021 |
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O7 .1460 .12643 .5424 .0092 .0079 .0125 .0079 -.0008 .0050 -.0011 |
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O8 .3849 .20691 .6119 .0088 .0083 .0104 .0072 .0015 .0042 -.0010 |
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O9 .1594 .10447 .0303 .0099 .0086 .0098 .0074 .0006 .0024 .0025 |
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O10 .2977 0 .2600 .0079 .0110 .0058 .0081 0 .0062 0 |
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O11 .1960 0 -.2599 .0113 .0124 .0064 .0179 0 .0104 0 |
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O12 .3348 0 .5385 .0220 .023 .026 .020 0 .0144 0 |
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H1 .420 0 .637 .05 |
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H2 .320 0 .443 .05 |
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