American Mineralogist Crystal Structure Database

7 matching records for this search.

Walstromite
Download hom/walstromite.pdf
Barkley M C, Downs R T, Yang H
 
American Mineralogist 96 (2011) 797-801
Structure of walstromite, BaCa2Si3O9, and its relationship
to CaSiO3-walstromite and wollastonite-II
Locality: Esquire No. 8 claim, Big Creek, Fresno County, California, U.S.A.
_database_code_amcsd 0018336
6.7335 9.6142 6.6859 69.638 102.281 96.855 P-1
atom       x      y       z   Uiso  U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ca1   .27564 .50942  .76296 .01177  .01328 .01067 .01086  .00050 .00405 -.00192
Ca2   .43704 .82810  .94439 .00973  .00867 .01155 .01055  .00086 .00318 -.00471
Ba1   .04730 .84865  .32147 .01220  .01371 .01095 .01248  .00202 .00236 -.00413
Si1   .09661 .22212  .15253 .00860  .00818 .00875 .00930 -.00041 .00331 -.00279
Si2   .23397 .48134  .28615 .00874  .00844 .00939 .00968  .00095 .00362 -.00348
Si3   .44128 .19622  .51332 .00879  .00847 .00997 .00787  .00055 .00220 -.00244
O1    .23339 .26112 -.02934 .01177  .01090 .01264 .01235  .00008 .00539 -.00314
O2   -.10090 .12277  .10406 .01177  .00991 .01151 .01378 -.00041 .00242 -.00425
O3    .04567 .37136  .20048 .01173  .01061 .01152 .01307  .00140 .00323 -.00321
O4    .37296 .55630  .10710 .01154  .01125 .01280 .01060 -.00164 .00496 -.00293
O5    .13494 .58601  .36970 .01465  .01829 .01186 .01588  .00246 .00637 -.00473
O6    .35978 .35593  .50597 .01215  .01505 .01043 .01124  .00130 .00300 -.00336
O7    .61408 .23412  .36858 .01143  .01126 .01332 .01122 -.00103 .00538 -.00454
O8    .50803 .09161  .75696 .01287  .01634 .01203 .00967  .00181 .00256 -.00245
O9    .23046 .12449  .39321 .01069  .01070 .01011 .01072  .00036 .00238 -.00258
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View JMOL 3-D Structure (permalink)
 
Weeksite
Download hom/weeksite.pdf
Fejfarova K, Plasil J, Yang H, Cejka J, Dusek M, Downs R T, Barkley M C, Skoda R
 
American Mineralogist 97 (2012) 750-754
Revision of the crystal structure and chemical formula of weeksite,
K2(UO2)2(Si5O13)*4H2O
Locality: Anderson mine, Arizona, USA
_database_code_amcsd 0018760
14.1957 14.2291 9.6305 90 111.578 90 C2/m
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1    .099331 .246786 .89678      .01189 .00807 .01867 .00959 .00057 .00403 .00072
K1     -.0707       0  .8602 .951  .0369  .0280  .0310   .057      0  .0224      0
K2      .2460       0  .8433 .930   .054   .058   .040   .089      0   .055      0
Si1         0   .3068     .5       .0166  .0133  .0244  .0121      0  .0046      0
Si2    .18748  .24984  .2495       .0116  .0094  .0180  .0080  .0011  .0038 -.0010
Si3    .29855  .10998  .5004       .0184  .0220  .0156  .0192 -.0011  .0095  .0000
O1      .4105   .1224  .4996        .033   .020   .030   .052  -.005   .018  -.002
O2      .0712   .2440  .1370        .023   .006   .055   .007   .000   .001  -.001
O3      .2472   .2551  .1367        .024   .009   .055   .009   .000   .005  -.001
O4      .0366   .2437  .6473        .023   .024   .037   .008   .003   .006   .006
O5      .2162   .1560  .3546        .027   .028   .026   .021  -.001   .002   .011
O6      .2705       0  .4998        .022   .029   .012   .029      0   .013      0
O7      .2892   .1573  .6467        .026   .036   .018   .027  -.003   .016  -.007
O8      .1020   .1201  .9055        .029   .035   .019   .040  -.001   .021   .001
O9      .0990   .3727  .8972        .032   .036   .020   .042  -.003   .016  -.003
Wat10   .4310       0  .8411        .053   .033   .040   .073      0   .005      0
Wat11  -.2624       0  .8441  .98   .059   .059   .052   .073      0   .034      0
Wat12       0       0     .5  .72   .036
Wat13       0   -.079     .5 .259   .036
Wat14  -.0464  -.0614   .602 .281   .036
Wat15  -.0917  -.0636   .398 .264   .036
Wat16   -.445       0   .702  .24   .024
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Whitlockite
Download hom/whitlockite.pdf
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
Locality: Palermo #1 quarry, New Hampshire, USA
_database_code_amcsd 0018920
10.3590 10.3590 37.0857 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   .29278 .15662  .67220     .02062 .03638 .01881 .01595 .02075 -.01259 -.00863
Ca2   .28035 .14623  .56520     .00930 .01040 .00952 .00875 .00556 -.00041 -.00112
Ca3   .38769 .18008  .76765     .00975 .01074 .00889 .00949 .00482 -.00238 -.00091
Mg         0      0 -.00028 .62 .00842 .00824 .00824 .00880 .00412       0       0
Fe         0      0 -.00028 .35 .00842 .00824 .00824 .00880 .00412       0       0
Mn         0      0 -.00028 .02 .00842 .00824 .00824 .00880 .00412       0       0
Al         0      0 -.00028 .02 .00842 .00824 .00824 .00880 .00412       0       0
P1A        0      0  .75326 .85 .01108 .00742 .00742 .01842 .00371       0       0
P1B        0      0  .73176 .15 .00001 .00001 .00001 .00001 .00000       0       0
P2    .31690 .14343  .86428     .00802 .00854 .00890 .00737 .00493  .00116  .00122
P3    .35083 .15788  .96718     .00818 .00864 .00901 .00704 .00453  .00001  .00041
O1    .27579 .09357  .82513     .01713 .02506 .02073 .00765 .01299  .00020 -.00054
O2    .24620 .23279  .87771     .01379 .01576 .01741 .01485 .01328  .00271  .00169
O3    .27237 .00161  .88627     .01107 .01098 .00806 .01155 .00280  .00214  .00168
O4    .48768 .24153  .86884     .01190 .00960 .00745 .01702 .00306  .00308  .00117
O5    .40292 .19613  .00664     .01408 .02107 .01642 .00747 .01140 -.00222 -.00219
O6    .39991 .04894  .95358     .01285 .01482 .01564 .01260 .01099 -.00076 -.00297
O7    .41667 .30451  .94644     .01458 .01473 .01139 .01331 .00330  .00211  .00459
O8    .17933 .07942  .96326     .01118 .00748 .00978 .01400 .00260  .00045 -.00039
OH9        0      0  .79758 .85 .03592 .03017 .03017 .04742 .01508       0       0
OH9B       0      0  .68932 .15 .02042 .01484 .01484 .03158 .00742       0       0
O10  -.01931 .12946  .74202     .01738 .01831 .00950 .02690 .00887  .00857  .00398
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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 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
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Mangano-ferri-eckermannite
 
Barkley M C, Yang H, Downs R T
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=66&spage=83
Acta Crystallographica E66 (2010) i83-i83
Kozulite, a Mn-rich alkali amphibole
Locality: Tanohata mine, Iwate Prefecture, Tohoku Region, Honshu Island, Japan
_database_code_amcsd 0017887
9.9024 18.1117 5.2992 90 104.034 90 C2/m
atom       x       y       z  occ    Uiso  U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
KAM   .52110       0  .05337 .104  .01495
NaAM' .55616       0  .12976 .187  .01495
NaA2      .5 -.02152       0 .073  .01495
NaA1  .53855 -.01917  .10320 .056  .01495
NaM4       0  .27152      .5 .800  .02191  .02256  .02513  .02240       0  .01394       0
CaM4       0  .27152      .5  .09  .02191  .02256  .02513  .02240       0  .01394       0
MnM4       0  .27152      .5  .11  .02191  .02256  .02513  .02240       0  .01394       0
MnM1       0  .08447      .5 .453  .00933  .00812  .01278  .00693       0  .00151       0
MgM1       0  .08447      .5 .547  .00933  .00812  .01278  .00693       0  .00151       0
MnM2       0  .18224      .0 .766  .00935  .00981  .00801  .01081       0  .00360       0
MgM2       0  .18224      .0 .234  .00935  .00981  .00801  .01081       0  .00360       0
MnM3       0       0      .0 .257  .00682  .00777  .00593  .00635       0  .00091       0
MgM3       0       0      .0 .743  .00682  .00777  .00593  .00635       0  .00091       0
Si1   .28233  .08429  .28706       .00858  .00867  .00776  .00854 -.00068  .00063  .00007
Si2   .28734  .16909  .79054       .00908  .00895  .00906  .00918 -.00125  .00213  .00087
O1    .11555  .08452  .21268       .01077  .00883  .01119  .01146 -.00133  .00085 -.00045
O2    .11918  .16575  .71697       .01460  .00928  .02024  .01375  .00151  .00180  .00306
OH3   .10330       0  .71178       .01309  .01394  .01143  .01332       0  .00215       0
O4    .35819  .24732  .79012       .01786  .02362  .01152  .01861 -.00563  .00544  .00122
O5    .34710  .12714  .07418       .01335  .01120  .01709  .01140  .00000  .00209  .00495
O6    .34473  .11704  .57692       .01358  .01147  .01838  .00989  .00045  .00065 -.00395
O7    .34279       0  .28842       .01545  .01488  .00757  .02267       0  .00217       0
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Despujolsite
Download hom/despujolsite.pdf
Barkley M C, Yang H, Evans S H, Downs R T, Origlieri M J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=67&spage=47
Acta Crystallographica E67 (2011) i47-i48
Redetermination of despujolsite, Ca3Mn4+(SO4)2(OH)6*3H2O
Locality: N'Chwaning III mine, Kalahari Manganese Field, South Africa
_database_code_amcsd 0018458
8.5405 8.5405 10.8094 90 90 120 P-62c
atom     x      y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .1521 .30348     .25 .01085  .0137 .00918 .00980  .0058      0      0
Mn       0      0       0 .00846 .00919 .00919  .0070 .00460      0      0
S      1/3    2/3  .02544 .00936 .01001 .01001  .0081 .00501      0      0
O1     1/3    2/3 -.11153  .0167  .0213  .0213  .0075  .0107      0      0
O2   .2419 .47842  .06891  .0188   .027  .0106  .0170   .008   .004  .0033
Oh3  .8945  .0966  .11070  .0109  .0084  .0148  .0107  .0067 -.0006 -.0004
OW4  .5006  .4853     .25  .0171   .019   .023  .0136  .0138      0      0
H1    .836   .125    .076   .026
H2    .521   .445    .193   .046
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Total number of retrieved datasets: 7
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