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Ikaite |
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Hesse K F, Kuppers H, Suess E |
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Zeitschrift fur Kristallographie 163 (1983) 227-231 |
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Refinement of the structure of ikaite, CaCO3*6(H2O) |
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Locality: Bransfield Strait, Antarctica |
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_database_code_amcsd 0010853 |
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8.792 8.310 11.021 90 110.53 90 C2/c |
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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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Ca .5 .6472 .25 .0148 .0101 .0127 0 .0051 0 |
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C .5 .3055 .25 .0109 .0120 .0171 0 .0031 0 |
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O1 .5 .1515 .25 .0213 .0096 .0325 0 .0048 0 |
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O2 .5262 .3852 .1588 .0197 .0160 .0162 -.0011 .0087 -.0010 |
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O3 .6146 .7222 .0913 .0278 .0196 .0172 -.0044 .0102 -.0010 |
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O4 .7872 .5581 .3829 .0202 .0179 .0172 -.0009 .0063 -.0008 |
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O5 .6707 .8849 .3589 .0177 .0140 .0204 .0001 .0074 .0010 |
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H1 .5795 .6897 .0158 .0404 |
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H2 .6374 .8063 .0905 .0566 |
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H3 .8530 .5959 .3574 .0392 |
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H4 .8105 .5848 .4580 .0330 |
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H5 .7628 .8838 .3567 .0304 |
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H6 .6324 .9668 .3422 .0411 |
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Eucryptite |
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Hesse K F |
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Zeitschrift fur Kristallographie 172 (1985) 147-151 |
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Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4 |
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Locality: synthetic |
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_database_code_amcsd 0010936 |
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13.473 13.473 9.001 90 90 120 R-3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .0198 .8122 .7511 .0167 .0115 .0195 .0031 -.0011 .0037 |
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Al1 .5303 .8807 .7496 .5 .0070 .0067 .0057 .0036 -.0001 .0000 |
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Si1 .5303 .8807 .7496 .5 .0070 .0067 .0057 .0036 -.0001 .0000 |
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Al2 .8752 .3443 .9161 .5 .0068 .0058 .0057 .0031 -.0004 .0000 |
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Si2 .8752 .3443 .9161 .5 .0068 .0058 .0057 .0031 -.0004 .0000 |
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O1 .7593 .2132 .8938 .0132 .0070 .0061 .0040 .0019 .0009 |
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O2 .7322 .1989 .5844 .0059 .0052 .0129 .0012 .0002 .0000 |
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O3 .1006 .8844 .9417 .0089 .0086 .0068 .0036 -.0020 -.0014 |
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O4 .6590 .0026 .7495 .0073 .0117 .0086 .0074 -.0007 -.0006 |
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Eucryptite |
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Hesse K F |
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Zeitschrift fur Kristallographie 172 (1985) 147-151 |
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Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4 |
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Locality: Zimbabwae |
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_database_code_amcsd 0010937 |
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13.471 13.471 8.998 90 90 120 R-3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Li .0198 .8125 .7513 .0153 .0107 .0206 .0024 -.0017 .0044 |
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Al1 .5302 .8807 .7495 .5 .0065 .0063 .0055 .0035 -.0001 .0000 |
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Si1 .5302 .8807 .7495 .5 .0065 .0063 .0055 .0035 -.0001 .0000 |
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Al2 .8753 .3444 .9160 .5 .0062 .0051 .0056 .0026 -.0003 .0000 |
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Si2 .8753 .3444 .9160 .5 .0062 .0051 .0056 .0026 -.0003 .0000 |
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O1 .7594 .2133 .8940 .0129 .0069 .0058 .0043 .0022 .0010 |
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O2 .7325 .1990 .5844 .0048 .0044 .0124 .0007 .0007 .0002 |
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O3 .1005 .8844 .9415 .0077 .0081 .0062 .0029 -.0022 -.0015 |
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O4 .6590 .0026 .7496 .0066 .0114 .0085 .0072 -.0009 -.0008 |
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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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_database_code_amcsd 0010962 |
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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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Rhodesite |
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Hesse K F, Liebau F, Merlino S |
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Zeitschrift fur Kristallographie 199 (1992) 25-48 |
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Crystal structure of rhodesite, HK1-xNax+2yCa2-y{lB,3,2}[Si8O19]*(6-z)H2O, |
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from three localities and its relation to other silicates with dreier double layers |
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Locality: Zeilberg, Germany |
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_database_code_amcsd 0011013 |
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23.416 6.555 7.050 90 90 90 Pmam |
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atom x y z occ Uiso |
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K .25 .4449 0 .249 .032 |
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Ca1 0 .5 0 .253 .014 |
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Ca2 0 .5 .5 .251 .011 |
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Si1 .1168 .2895 .2196 .008 |
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Si2 .1838 .5410 .5 .5 .006 |
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Si3 .1023 .9309 .5 .5 .007 |
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O1 .0590 .4074 .2476 .016 |
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O2 .1717 .4089 .3130 .016 |
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O3 .1167 .0627 .3131 .024 |
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O4 .1351 .2550 0 .5 .010 |
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O5 .1458 .7427 .5 .5 .021 |
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O6 .0378 .8527 .5 .5 .029 |
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O7 .25 .6076 .5 .25 .014 |
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Wat8 .0381 .8379 0 .546 .092 |
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Wat9 .3308 .7780 0 .451 .075 |
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Wat10 .25 .0211 .1901 .236 .080 |
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Rhodesite |
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Hesse K F, Liebau F, Merlino S |
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Zeitschrift fur Kristallographie 199 (1992) 25-48 |
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Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O, |
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from three localities and its relation to other silicates with dreier double layers |
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Locality: Trinity County, California, USA |
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_database_code_amcsd 0011014 |
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23.4439 6.553 7.055 90 90 90 Pmam |
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atom x y z occ Uiso |
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K .25 .4460 0 .255 .033 |
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Ca1 0 .5 0 .246 .015 |
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Ca2 0 .5 .5 .248 .010 |
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Si1 .1168 .2891 .2200 .007 |
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Si2 .1836 .5427 .5 .5 .006 |
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Si3 .1022 .9303 .5 .5 .006 |
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O1 .0592 .4076 .2476 .013 |
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O2 .1718 .4077 .3114 .016 |
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O3 .1164 .0629 .3144 .026 |
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O4 .1345 .2573 0 .5 .007 |
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O5 .1465 .7418 .5 .5 .014 |
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O6 .0378 .8543 .5 .5 .023 |
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O7 .25 .6081 .5 .25 .007 |
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Wat8 .0390 .8399 0 .552 .088 |
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Wat9 .3312 .7801 0 .517 .064 |
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Wat10 .25 .0247 .1895 .278 .065 |
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Rhodesite |
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Hesse K F, Liebau F, Merlino S |
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Zeitschrift fur Kristallographie 199 (1992) 25-48 |
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Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O, |
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from three localities and its relation to other silicates with dreier double layers |
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Locality: San Venanzo, Italy |
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_database_code_amcsd 0011015 |
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23.428 6.557 7.064 90 90 90 Pmam |
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atom x y z occ Uiso |
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K .25 .4487 0 .25 .036 |
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Ca1 0 .5 0 .25 .015 |
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Ca2 0 .5 .5 .25 .009 |
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Si1 .1170 .2892 .2198 .008 |
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Si2 .1837 .5417 .5 .5 .008 |
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Si3 .1024 .9306 .5 .5 .006 |
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O1 .0593 .4084 .2500 .016 |
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O2 .1722 .4077 .3111 .015 |
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O3 .1165 .0616 .3120 .024 |
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O4 .1351 .2555 0 .5 .011 |
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O5 .1460 .7394 .5 .5 .017 |
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O6 .0375 .8583 .5 .5 .024 |
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O7 .25 .6049 .5 .25 .013 |
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Wat8 .0379 .8315 0 .5 .099 |
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Wat9 .3317 .7792 0 .5 .074 |
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Wat10 .25 .0204 .1874 .25 .102 |
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Wat11 .25 .052 .5 .055 .090 |
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|
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