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Harstigite |
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Hesse K F, Stumpel G |
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Zeitschrift fur Kristallographie 177 (1986) 143-148 |
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Crystal structure of harstigite, MnCa6Be4[SiO4]2[Si2O7]2(OH)2 |
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Locality: Harstigen mine, Sweden |
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9.793 13.636 13.830 90 90 90 Pnam |
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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 .9962 .6083 .3859 .0066 .0076 .0093 -.0004 -.0012 -.0013 |
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Ca2 .5086 .3157 .3876 .0060 .0094 .0085 .0012 .0006 -.0020 |
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Ca3 .5004 .5897 .3926 .0066 .0074 .0085 .0016 -.0026 -.0007 |
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Mn .9993 .3950 .25 .0076 .0081 .0164 -.0001 0 0 |
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Be1 .2381 .4017 .4159 .0095 .0079 .0072 .0021 -.0009 .0012 |
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Be2 .2624 .5394 .75 .0026 .0070 .0192 .0015 0 0 |
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Be3 .2657 .7284 .25 .0078 .0050 .0001 .0002 0 0 |
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Si1 .2281 .2579 .25 .0039 .0045 .0083 -.0001 0 0 |
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Si2 .2831 .5151 .25 .0020 .0055 .0045 -.0001 0 0 |
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Si3 .2124 .5498 .5490 .0047 .0039 .0073 .0009 .0006 .0012 |
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Si4 .2325 .7485 .4521 .0035 .0047 .0074 .0002 .0010 -.0003 |
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O1 .1579 .6590 .5144 .0063 .0067 .0128 .0008 .0011 .0031 |
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O2 .3952 .7417 .4549 .0044 .0071 .0124 -.0008 -.0005 .0014 |
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O3 .1701 .8459 .5036 .0054 .0084 .0092 -.0002 .0017 -.0028 |
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O4 .1675 .7400 .3458 .0064 .0133 .0055 -.0029 .0005 -.0013 |
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O5 .1373 .4746 .4765 .0068 .0055 .0081 .0003 -.0011 -.0051 |
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O6 .1529 .5308 .6577 .0031 .0091 .0113 .0000 -.0002 .0004 |
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O7 .3778 .5504 .5471 .0046 .0061 .0090 .0006 .0004 -.0004 |
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O8 .1602 .3165 .3434 .0092 .0040 .0065 -.0011 -.0003 -.0011 |
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O9 .3425 .4606 .3460 .0075 .0038 .0075 -.0013 -.0021 .0010 |
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O10 .1172 .5239 .25 .0025 .0137 .0093 -.0014 0 0 |
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O11 .1590 .1485 .25 .0052 .0066 .0109 .0051 0 0 |
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O12 .3926 .2476 .25 .0043 .0064 .0087 .0035 0 0 |
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O13 .3507 .6245 .25 .0015 .0064 .0120 .0016 0 0 |
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Oh14 .3666 .4499 .75 .0111 .0086 .0069 .0009 0 0 |
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OH15 .1115 .3146 .75 .0105 .0072 .0176 .0075 0 0 |
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H .176 .883 .25 .0810 |
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