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Na6Cs2[Co6P6O24](OH)2*1.4H2O |
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Bieniok A, Brendel U, Paulus E F, Amthauer G |
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European Journal of Mineralogy 17 (2005) 813-818 |
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Microporous cobalto- and zincophosphates with the |
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framework-type of cancrinite |
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Sample: CoPO4-CAN |
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Locality: synthetic |
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_database_code_amcsd 0007134 |
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12.8514 12.8514 5.0468 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na .7299 .8696 .6045 .0307 |
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Cs .6667 .3333 .1249 .0317 |
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Co .6477 .5793 .6262 .0151 |
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P .9035 .5846 .6256 .0131 |
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O1 .5916 .1400 .6756 .0263 |
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O2 .3568 .0231 .2657 .0224 |
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O3 .8082 .6119 .7288 .0192 |
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O4 .6131 .6906 .8265 .0248 |
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OH5a .0 .0 .839 .155 .008 |
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OH5b .0 .0 .049 .084 .008 |
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OH6a .102 .995 .859 .133 .008 |
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OH6b .945 .065 .495 .196 .008 |
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Na6Cs2[Co6P6O24](OH)2*H2O |
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Bieniok A, Brendel U, Paulus E F, Amthauer G |
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European Journal of Mineralogy 17 (2005) 813-818 |
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Microporous cobalto- and zincophosphates with the |
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framework-type of cancrinite |
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Sample: ZnPO4-CAN |
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Locality: synthetic |
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_database_code_amcsd 0007135 |
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12.794 12.794 5.066 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na .7294 .8607 .6224 .0351 |
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Cs .6667 .3333 .1404 .0333 |
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Zn .9294 .5789 .6381 .0168 |
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P .6792 .5844 .6370 .0143 |
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O1 .5488 .1400 .6878 .0243 |
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O2 .3858 .0725 .3385 .0252 |
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O3 .8023 .6133 .7386 .0226 |
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O4 .6391 .6647 .7813 .0230 |
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OH5a .0 .0 .901 .136 .015 |
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OH5b .0 .0 .717 .131 .015 |
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OH6a .115 .069 .740 .228 .015 |
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YBa2Cu2.94O6.82 |
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Brodt K, Fuess H, Paulus E F, Assmus W, Kowalewski J |
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Acta Crystallographica C46 (1990) 354-358 |
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Untwinned single crystals of the high-temperature superconductor |
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YBa2Cu3O7-x |
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_database_code_amcsd 0010104 |
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3.836 3.883 11.686 90 90 90 Pmmm |
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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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Y1 .5 .5 .5 .0053 .0060 .0049 .0051 0 0 0 |
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Ba1 .5 .5 .18434 .0082 .0100 .0069 .0076 0 0 0 |
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Cu1 .00 .00 .0000 .941 .0073 .0097 .0077 .0045 0 0 0 |
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Cu2 .00 .00 .35588 .0060 .0052 .0043 .0083 0 0 0 |
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O1 .00 .00 .1580 .921 .0106 .014 .011 .007 0 0 0 |
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O2 .5 .00 .3786 .0073 .006 .006 .010 0 0 0 |
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O3 .00 .5 .3786 .0070 .007 .004 .010 0 0 0 |
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O4 .00 .5 .0000 .83 .019 .032 .011 .013 0 0 0 |
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O5 .5 .00 .0000 .15 .018 |
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Walstromite |
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Joswig W, Paulus E F, Winkler B, Milman V |
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Zeitschrift fur Kristallographie 218 (2003) 811-818 |
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The crystal structure of CaSiO3-walstromite, a special isomorph of wollastonite-II |
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_database_code_amcsd 0011105 |
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6.596 9.223 6.554 83.75 77.28 70.07 P-1 |
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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 .7566 .0014 .7369 .009 .008 .008 .008 -.003 .001 .000 |
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Ca2 .9256 .3345 .5716 .008 .008 .009 .008 -.004 .000 .000 |
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Ca3 .2790 .3531 .9186 .012 .012 .008 .013 -.004 .002 -.002 |
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Si1 .4771 .3027 .4540 .008 .006 .008 .009 -.003 .002 .000 |
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Si2 .7234 .0154 .2279 .007 .007 .008 .007 -.002 .001 .000 |
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Si3 .8382 .2941 .1024 .008 .009 .008 .007 -.004 .001 .000 |
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O1 .2315 .4054 .5401 .010 .005 .009 .013 -.001 .001 .001 |
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O2 .6143 .2649 .6385 .010 .010 .011 .010 -.004 .000 -.001 |
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O3 .4918 .1381 .3597 .011 .007 .012 .013 -.003 .001 .001 |
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O4 .6535 -.0976 .1129 .010 .011 .009 .010 -.004 -.001 -.002 |
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O5 .8990 -.0589 .3728 .010 .010 .010 .010 -.003 .000 .000 |
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O6 .8069 .1344 .0418 .010 .009 .009 .010 -.004 .001 -.001 |
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O7 .8815 .4069 -.0914 .011 .012 .012 .007 -.005 -.001 .001 |
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O8 .0301 .2567 .2317 .012 .013 .012 .008 -.004 .001 -.001 |
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O9 .5951 .3870 .2463 .012 .011 .007 .014 -.003 .003 .001 |
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Beta-roselite |
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Joswig W, Paulus E F, Liebscher B |
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Zeitschrift fur Kristallographie 219 (2004) 341-342 |
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Crystal structure of dicalcium (cobalt,magnesium) diarsenate dihydrate, |
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Ca2(Co0.532Mg0.468)[AsO4]2*2H2O, hydrogen bonding in talmessite |
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Locality: Bou-Azzer, Morocco |
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_database_code_amcsd 0011127 |
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5.884 6.981 5.564 97.33 108.93 108.18 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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Ca -.29524 .23736 .34744 .00887 .00931 .00929 .00308 .00387 .00215 |
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Co 0 0 0 .532 .0072 .0070 .0086 .00237 .00363 .00184 |
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Mg 0 0 0 .468 .0072 .0070 .0086 .00237 .00363 .00184 |
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As .33318 .24575 .67079 .00586 .00565 .00682 .00189 .00270 .00204 |
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O1 .3405 .1288 .9213 .0091 .0121 .0104 .0037 .0045 .0066 |
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O2 .2399 .0505 .4002 .0138 .0095 .0087 .0044 .0019 -.0009 |
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O3 .1537 .3907 .6412 .0107 .0093 .0132 .0058 .0050 .0039 |
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O4 .6411 .3849 .7158 .0061 .0103 .0123 .0001 .0040 .0023 |
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Ow -.0463 .2744 .0737 .0085 .0073 .0092 .0013 .0025 .0017 |
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H1 .081 .358 .126 .023 |
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H2 -.123 .302 -.031 .026 |
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