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Apophyllite-(KF) |
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Colville A A, Anderson C P, Black P M |
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American Mineralogist 56 (1971) 1222-1233 |
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Refinement of the crystal structure of apophyllite I. X-ray diffraction and |
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physical properties |
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8.963 8.963 15.804 90 90 90 P4/mnc |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 0 .5 .84 .006224 .006224 .004985 0 0 0 |
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Na 0 0 .5 .16 .006224 .006224 .004985 0 0 0 |
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Ca .1102 .2460 0 .001805 .002116 .000601 .000199 0 0 |
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Si .2258 .0864 .1900 .001712 .001712 .000801 -.000093 -.000300 .000000 |
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O1 .3635 .1365 .25 .002490 .002490 .000601 -.000311 -.000406 -.000406 |
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O2 .0843 .1899 .2177 .002116 .003205 .001782 .000996 -.000106 -.000600 |
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O3 .2642 .1020 .0923 .003019 .003112 .001001 .000311 -.000406 -.000194 |
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F 0 0 0 .001712 .001712 .002893 0 0 0 |
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Wat4 .2128 .4498 .0900 .008216 .003517 .001501 -.000405 -.000106 -.000706 |
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Apophyllite-(KF) |
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Chao G Y |
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American Mineralogist 56 (1971) 1234-1242 |
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The refinement of the crystal structure of apophyllite II. Determination of the |
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hydrogen positions by X-ray diffraction |
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Note: O1-B23 changed to match symmetry constraints |
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8.965 8.965 15.767 90 90 90 P4/mnc |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 0 .5 .007615 .007615 .004376 0 0 0 |
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Ca .1094 .2466 0 .002773 .003202 .000976 .000045 0 0 |
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Si .2256 .0865 .1900 .002285 .002039 .000959 .000033 -.000059 -.000011 |
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O1 .3631 .1369 .25 .003936 .003936 .001327 -.000631 -.000275 -.000275 |
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O2 .0846 .1891 .2178 .003412 .004489 .001965 .001246 -.000653 -.000617 |
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O3 .2636 .1026 .0923 .005001 .004314 .001135 .000055 -.000582 -.000307 |
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F 0 0 0 .002674 .002674 .002580 0 0 0 |
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O4 .2131 .4491 .0898 .008905 .004494 .001449 .000088 -.000202 -.000670 |
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H1 .4515 .1770 .0775 3.49 |
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H2 .2362 .4706 .1198 13.54 |
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Apophyllite-(KF) |
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Prince E |
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American Mineralogist 56 (1971) 1243-1251 |
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Refinement of the crystal structure of apophyllite III. Determination of the |
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hydrogen positions by neutron diffraction |
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8.96 8.96 15.80 90 90 90 P4/mnc |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 0 .5 .004360 .004360 .003805 0 0 0 |
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Ca .1110 .2473 0 .002585 .002460 .000791 -.000249 0 0 |
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Si .2267 .0866 .1896 .001308 .001775 .000661 -.000062 -.000035 .000106 |
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O1 .3636 .1364 .25 .001993 .001993 .000851 -.000062 -.000353 -.000353 |
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O2 .0846 .1897 .2169 .001837 .003332 .001382 .001059 -.000194 -.000459 |
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O3 .2657 .1018 .0924 .003394 .003270 .000431 -.000031 -.000053 -.000035 |
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F 0 0 0 .001744 .001744 .001612 0 0 0 |
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O4 .2154 .4500 .0893 .007629 .003519 .001472 -.000187 .000194 -.000512 |
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H1 .4490 .1730 .0889 .006228 .008097 .002604 -.000311 .000636 -.000106 |
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H2 .2244 .4255 .1481 .875 .015570 .008097 .001302 .000000 -.000883 .000177 |
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H3 0 0 .0651 .500 .022110 .022110 .002804 0 0 0 |
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Apophyllite-(KOH) |
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Rouse R C, Peacor D R, Dunn P J |
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American Mineralogist 63 (1978) 196-202 |
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Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group |
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II. Crystal structure |
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Note: sample is from Kimberley, South Africa |
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8.979 8.979 15.830 90 90 90 P4/mnc |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K 0 0 .5 .0058 .0058 .00370 0 0 0 |
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Ca .1108 .2475 0 .0024 .0024 .00077 .00004 0 0 |
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Si .2265 .0864 .18964 .0020 .0020 .00074 .00000 -.0002 -.0001 |
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O1 .8637 .3637 .25 .0027 .0027 .00090 .0008 .0005 -.0005 |
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O2 .0864 .1890 .2166 .0028 .0042 .00160 .0010 -.0003 -.0007 |
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O3 .2657 .1025 .0925 .0037 .0041 .00090 .0000 -.0002 -.0001 |
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O4 .2152 .4504 .0889 .0089 .0043 .00130 -.0001 .0001 -.0006 |
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OH 0 0 0 .0013 .0013 .00220 0 0 0 |
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H1 .453 .135 .106 6.8 |
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H2 .214 .432 .134 .6 |
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Apophyllite-(NaF) |
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Miura Y, Kato T, Rucklidge J C, Matsueda H |
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American Mineralogist 66 (1981) 410-423 |
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Natroapophyllite, a new orthorhombic sodium analog of apophyllite |
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II. Crystal structure |
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8.875 8.881 15.79 90 90 90 Pnnm |
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atom x y z Biso |
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Si1 .2289 .0833 .1890 1.12 |
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Si2 .4161 .2708 .3108 1.13 |
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Ca1 .1143 .2465 0 1.20 |
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Ca2 .7537 .1148 0 1.25 |
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Na 0 0 .5 2.84 |
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F 0 0 0 1.87 |
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O1 .3671 .1322 .2513 1.36 |
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O2 .0882 .1902 .2162 1.63 |
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O21 .3099 .4123 .2839 1.59 |
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O3 .2696 .0987 .0921 1.75 |
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O31 .4016 .2305 .4079 1.66 |
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O4 .2286 .4505 .0887 2.45 |
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O41 .5502 .2253 .0890 2.70 |
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H1 .47 .17 .05 1.60 |
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H11 .17 .54 .08 1.40 |
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H2 .16 .43 .14 0.80 |
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H21 .56 .31 .14 3.20 |
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Apophyllite-(KF) |
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Stahl K |
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European Journal of Mineralogy 5 (1993) 845-849 |
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A neutron powder diffraction study of partially dehydrated |
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fluorapophyllite, KCa4Si8O20F*6.9H2O |
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8.9639 8.9639 15.754 90 90 90 P4/mnc |
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atom x y z occ |
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F 0 0 0 |
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K 0 0 1/2 |
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Ca .1150 .2402 0 |
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Si .2317 .0873 .1917 |
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O1 .3624 .1376 1/4 |
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O2 .0894 .1915 .2159 |
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O3 .2663 .1021 .0923 |
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O4 .2132 .4489 .0903 .69 |
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O5 .1848 .4878 0 .34 |
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H1 .4465 .1722 .0894 .69 |
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H2 .2209 .4257 .1492 .69 |
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H3 .1574 .5505 .0366 .34 |
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