American Mineralogist Crystal Structure Database

2 matching records for this search.

Bobdownsite
 
Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H
 
The Canadian Mineralogist 49 (2011) 1065-1078
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
and its structural relationship with whitlockite-type compounds
Sample number R050109
Locality: Big Fish River, Yukon Territory, Canada
_database_code_amcsd 0018921
10.3224 10.3224 37.0700 90 90 120 R3c
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1   .29204 .15618  .67232 .92 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810
Na1   .29204 .15618  .67232 .08 .01975 .03511 .01763 .01520 .01971 -.01113 -.00810
Ca2   .28036 .14639  .56518     .00958 .01052 .00967 .00938 .00568 -.00060 -.00144
Ca3   .38693 .17961  .76766     .01023 .01158 .00933 .00965 .00513 -.00211 -.00056
Mg         0      0 -.00027 .72 .00926 .00932 .00932 .00915 .00466       0       0
Fe3+       0      0 -.00027 .13 .00926 .00932 .00932 .00915 .00466       0       0
Al         0      0 -.00027 .11 .00926 .00932 .00932 .00915 .00466       0       0
Fe2+       0      0 -.00027 .04 .00926 .00932 .00932 .00915 .00466       0       0
P1A        0      0  .75327 .85 .01079 .00859 .00859 .01519 .00429       0       0
P1B        0      0  .73224 .15 .00310 .00424 .00424 .00082 .00212       0       0
P2    .31741 .14328  .86398     .00838 .00923 .00889 .00802 .00528 -.00002  .00048
P3    .35016 .15739  .96736     .00808 .00866 .00858 .00717 .00444 -.00007  .00039
O1    .27457 .09214  .82483     .01685 .02334 .02027 .00918 .01258  .00063 -.00010
O2    .24800 .23372  .87773     .01460 .01738 .01953 .01381 .01442  .00189  .00041
O3    .27343 .00192  .88653     .01074 .01110 .00819 .00999 .00262  .00214  .00158
O4    .48946 .24182  .86809     .01222 .00775 .00834 .01814 .00219  .00216  .00141
O5    .40343 .19661  .00672     .01499 .02395 .01651 .00755 .01240 -.00328 -.00191
O6    .39835 .04735  .95383     .01252 .01311 .01586 .01183 .00968 -.00188 -.00272
O7    .41548 .30324  .94638     .01468 .01650 .01236 .01213 .00494  .00229  .00501
O8    .17792 .07889  .96373     .01169 .00861 .01090 .01411 .00380 -.00017  .00024
O9   -.01911 .12994  .74208     .01860 .01781 .01342 .02749 .00999  .00844  .00417
F1A        0      0  .79710 .85 .04092 .03719 .03719 .04838 .01860       0       0
F1B        0      0  .68929 .15 .01688
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View JMOL 3-D Structure (permalink)
 
Bobdownsite
 
Tait K T, Barkley M C, Thompson R M, Origlieri M J, Evans S H, Prewitt C T, Yang H
 
The Canadian Mineralogist 49 (2011) 1065-1078
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
and its structural relationship with whitlockite-type compounds
Sample number R070654
Locality: Tip Top mine, South Dakota, USA
_database_code_amcsd 0018922
10.3394 10.3394 37.0836 90 90 120 R3c
atom       x      y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca1   .29139 .15560  .67238     .02147 .03703 .01956 .01715 .02116 -.01176 -.00842
Ca2   .28027 .14660  .56521     .01020 .01097 .01029 .01016 .00593 -.00061 -.00140
Ca3   .38790 .18026  .76766     .01073 .01209 .00913 .01070 .00510 -.00259 -.00070
Mg         0      0 -.00029 .96 .01249 .01252 .01252 .01243 .00626       0       0
Al         0      0 -.00029 .04 .01249 .01252 .01252 .01243 .00626       0       0
P1A        0      0  .75328 .81 .01100 .00840 .00840 .01621 .00420       0       0
P1B        0      0  .73141 .16 .00938 .01074 .01074 .00667 .00537       0       0
P2    .31797 .14350  .86408     .00896 .00915 .00936 .00915 .00521  .00044  .00073
P3    .35050 .15790  .96726     .00905 .00874 .00979 .00828 .00439  .00021  .00074
O1    .27505 .09304  .82489     .01846 .02380 .02091 .01092 .01135 -.00044 -.00017
O2    .24781 .23355  .87747     .01510 .01753 .01909 .01519 .01403  .00250  .00070
O3    .27316 .00185  .88617     .01185 .01122 .00976 .01197 .00331  .00188  .00224
O4    .48916 .24185  .86830     .01220 .00818 .00880 .01811 .00310  .00257  .00179
O5    .40357 .19701  .00671     .01662 .02488 .01931 .00850 .01316 -.00182 -.00105
O6    .39911 .04845  .95381     .01399 .01460 .01805 .01320 .01109 -.00099 -.00180
O7    .41528 .30367  .94631     .01594 .01513 .01249 .01589 .00367  .00007  .00322
O8    .17901 .07881  .96363     .01181 .00827 .01062 .01572 .00412  .00081  .00022
F9         0      0  .79715 .84 .04541 .04343 .04343 .04937 .02171       0       0
OH9        0      0  .79715 .16 .04541 .04343 .04343 .04937 .02171       0       0
O10  -.02014 .12977  .74149     .01912 .01766 .01132 .02970 .00825  .00700  .00498
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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