American Mineralogist Crystal Structure Database

4 matching records for this search.

Fluorapophyllite-(K)
Download hom/fluorapophyllitek.pdf
Colville A A, Anderson C P, Black P M
Download am/vol56/AM56_1222.pdf
American Mineralogist 56 (1971) 1222-1233
Refinement of the crystal structure of apophyllite I. X-ray diffraction and
physical properties
Locality: Phoenix mine, Keweenaw Peninsula, Michigan, USA
_database_code_amcsd 0000255
8.963 8.963 15.804 90 90 90 P4/mnc
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5 .84 .006224 .006224 .004985        0        0        0
Na       0     0    .5 .16 .006224 .006224 .004985        0        0        0
Ca   .1102 .2460     0     .001805 .002116 .000601  .000199        0        0
Si   .2258 .0864 .1900     .001712 .001712 .000801 -.000093 -.000300  .000000
O1   .3635 .1365   .25     .002490 .002490 .000601 -.000311 -.000406 -.000406
O2   .0843 .1899 .2177     .002116 .003205 .001782  .000996 -.000106 -.000600
O3   .2642 .1020 .0923     .003019 .003112 .001001  .000311 -.000406 -.000194
F        0     0     0     .001712 .001712 .002893        0        0        0
Wat4 .2128 .4498 .0900     .008216 .003517 .001501 -.000405 -.000106 -.000706
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Fluorapophyllite-(K)
Download hom/fluorapophyllitek.pdf
Chao G Y
Download am/vol56/AM56_1234.pdf
American Mineralogist 56 (1971) 1234-1242
The refinement of the crystal structure of apophyllite II. Determination of the
hydrogen positions by X-ray diffraction
Note: O1-B23 changed to match symmetry constraints
Locality: Mont. St. Hilaire, Quebec, Canada
_database_code_amcsd 0000256
8.965 8.965 15.767 90 90 90 P4/mnc
atom     x     y     z  Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5       .007615 .007615 .004376        0        0        0
Ca   .1094 .2466     0       .002773 .003202 .000976  .000045        0        0
Si   .2256 .0865 .1900       .002285 .002039 .000959  .000033 -.000059 -.000011
O1   .3631 .1369   .25       .003936 .003936 .001327 -.000631 -.000275 -.000275
O2   .0846 .1891 .2178       .003412 .004489 .001965  .001246 -.000653 -.000617
O3   .2636 .1026 .0923       .005001 .004314 .001135  .000055 -.000582 -.000307
F        0     0     0       .002674 .002674 .002580        0        0        0
O4   .2131 .4491 .0898       .008905 .004494 .001449  .000088 -.000202 -.000670
H1   .4515 .1770 .0775  3.49
H2   .2362 .4706 .1198 13.54
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Fluorapophyllite-(K)
Download hom/fluorapophyllitek.pdf
Prince E
Download am/vol56/AM56_1243.pdf
American Mineralogist 56 (1971) 1243-1251
Refinement of the crystal structure of apophyllite III. Determination of the
hydrogen positions by neutron diffraction
Locality: Centerville, Virginia, USA
_database_code_amcsd 0000257
8.96 8.96 15.80 90 90 90 P4/mnc
atom     x     y     z  occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K        0     0    .5      .004360 .004360 .003805        0        0        0
Ca   .1110 .2473     0      .002585 .002460 .000791 -.000249        0        0
Si   .2267 .0866 .1896      .001308 .001775 .000661 -.000062 -.000035  .000106
O1   .3636 .1364   .25      .001993 .001993 .000851 -.000062 -.000353 -.000353
O2   .0846 .1897 .2169      .001837 .003332 .001382  .001059 -.000194 -.000459
O3   .2657 .1018 .0924      .003394 .003270 .000431 -.000031 -.000053 -.000035
F        0     0     0      .001744 .001744 .001612        0        0        0
O4   .2154 .4500 .0893      .007629 .003519 .001472 -.000187  .000194 -.000512
H1   .4490 .1730 .0889      .006228 .008097 .002604 -.000311  .000636 -.000106
H2   .2244 .4255 .1481 .875 .015570 .008097 .001302  .000000 -.000883  .000177
H3       0     0 .0651 .500 .022110 .022110 .002804        0        0        0
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Fluorapophyllite-(K)
Download hom/fluorapophyllitek.pdf
Stahl K
 
European Journal of Mineralogy 5 (1993) 845-849
A neutron powder diffraction study of partially dehydrated
fluorapophyllite, KCa4Si8O20F*6.9H2O
Locality: Poona, India
_database_code_amcsd 0019990
8.9639 8.9639 15.754 90 90 90 P4/mnc
atom     x     y     z  occ
F        0     0     0
K        0     0    .5
Ca   .1150 .2402     0
Si   .2317 .0873 .1917
O1   .3624 .1376   1/4
O2   .0894 .1915 .2159
O3   .2663 .1021 .0923
O4   .2132 .4489 .0903  .69
O5   .1848 .4878     0  .34
H1   .4465 .1722 .0894  .69
H2   .2209 .4257 .1492  .69
H3   .1574 .5505 .0366  .34
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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