American Mineralogist Crystal Structure Database

3 matching records for this search.

Chromo-alumino-povondraite
 
Reznitskii L, Clark C M, Hawthorne F C, Grice J D, Skogby H, Halenius U, Bosi F
 
American Mineralogist 99 (2014) 1767-1773
Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species
of the tourmaline supergroup
Locality: Sludyanka, Lake Baikal, Russia
_database_code_amcsd 0020335
16.0277 16.0277 7.30850 90 90 120 R3m
atom       x       y      z    occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
NaX        0       0 .22801    .87  .0203  .0212  .0212  .0186  .0106       0       0
CaX        0       0 .22801    .07  .0203  .0212  .0212  .0186  .0106       0       0
KX         0       0 .22801    .02  .0203  .0212  .0212  .0186  .0106       0       0
CrY   .12380 .061898 .63723 .76333 .00552 .00518 .00495 .00650 .00259 -.00074 -.00037
MgY   .12380 .061898 .63723 .23667 .00552 .00518 .00495 .00650 .00259 -.00074 -.00037
AlZ  .297903 .261913 .60938 .50667 .00450 .00424 .00464 .00442 .00207  .00002  .00026
MgZ  .297903 .261913 .60938 .25667 .00450 .00424 .00464 .00442 .00207  .00002  .00026
CrZ  .297903 .261913 .60938 .19667 .00450 .00424 .00464 .00442 .00207  .00002  .00026
VZ   .297903 .261913 .60938 .03667 .00450 .00424 .00464 .00442 .00207  .00002  .00026
FeZ  .297903 .261913 .60938 .00167 .00450 .00424 .00464 .00442 .00207  .00002  .00026
B     .10993  .21986  .4549         .0072  .0065  .0073  .0083  .0036   .0003   .0005
Si   .190426  .18870      0 .99333 .00570 .00567 .00524 .00609 .00266 -.00042 -.00050
Al   .190426  .18870      0 .00667 .00570 .00567 .00524 .00609 .00266 -.00042 -.00050
O1         0       0  .7661    .73  .0072  .0071  .0071  .0073  .0035       0       0
F1         0       0  .7661    .25  .0072  .0071  .0071  .0073  .0035       0       0
OH1        0       0  .7661    .02  .0072  .0071  .0071  .0073  .0035       0       0
O2    .06037  .12074 .48900         .0068  .0066  .0048  .0083  .0024  .00029   .0006
O3    .25735  .12868 .51027         .0105  .0138  .0128  .0054  .0069   .0007  .00036
H3     .2575   .1287   .395          .016
O4    .09256  .18511 .07144         .0106  .0085  .0174  .0087  .0087  -.0002  -.0004
O5    .18285  .09142 .09074         .0100  .0161  .0079  .0087  .0081   .0011   .0005
O6    .19226  .18294 .78002        .00773  .0104  .0080  .0055  .0052  -.0004  -.0009
O7    .28334  .28296 .07444        .00938  .0084  .0072  .0092  .0015  -.0024  -.0005
O8    .20763  .26830 .43859        .01093  .0055  .0094  .0173  .0033   .0010   .0031
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Juabite
Download hom/juabite.pdf
Burns P C, Clark C M, Gault R A
Download cm/vol38/CM38_809.pdf
The Canadian Mineralogist 38 (2000) 809-816
Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision
of the chemical formula
_database_code_amcsd 0005685
8.9903 10.1197 8.9959 102.654 92.432 70.432 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)
Ca         1/2   1/2      0 .0248  .0468  .0188  .0059 -.0083 -.0050  .0018
Cu(1)   -.1919 .7993  .0021 .0117  .0085  .0258  .0029 -.0074 -.0032  .0055
Cu(2)    .2967 .8412 -.4883 .0104  .0071  .0222  .0045 -.0063 -.0044  .0065
Cu(3)    .3921 .5072 -.3755 .0142  .0124  .0202  .0093 -.0025 -.0036  .0072
Cu(4)    .6845 .8487 -.3708 .0129  .0066  .0323  .0031 -.0095 -.0031  .0066
Cu(5)   -.0734 .7991  .3909 .0154  .0095  .0340  .0060 -.0104 -.0051  .0073
Te(1)    .4568 .8379 -.1518 .0114  .0099  .0216  .0056 -.0081 -.0027  .0047
Te(2)    .1303 .8342  .1698 .0196  .0162  .0358  .0108 -.0121 -.0037  .0086
As(1)    .0656 .7706 -.2751 .0097  .0056  .0220  .0031 -.0060 -.0040  .0046
As(2)    .5743 .7899 -.7274 .0082  .0061  .0178  .0018 -.0046 -.0031  .0041
O(1)     -.066  .798   .178 .0167
O(2)     -.003  .814  -.095 .0175
O(3)      .185  .866  -.290 .0145
O(4)      .121  .840   .388 .0176
O(5)     -.328  .835  -.163 .0103
O(6)     -.091  .820  -.388 .0122
O(7)      .469  .848  -.364 .0192
OH(8)     .390  .597  -.548 .0166
O(9)      .387  .888  -.660 .0104
O(10)     .607  .842  -.883 .0095
O(11)     .601  .614  -.773 .0131
O(12)     .265  .654   .107 .0381
O(13)     .163  .594  -.336 .0197
O(14)     .704  .818  -.593 .0142
Wat(15)   .039  .552   .356 .0439
Wat(16)  -.131  .558  -.057 .0527
O(17)     .490  .645  -.177 .0169
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View JMOL 3-D Structure (permalink)
 
Fluor-dravite
 
Clark C M, Hawthorne F C, Ottolini L
 
The Canadian Mineralogist 49 (2011) 57-62
Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline
group from the Crabtree Emerald mine, Mitchell County, North Carolina:
Description and crystal structure
Locality: the Crabtree Emerald mine, Mitchell County, North Carolina, USA
_database_code_amcsd 0018741
15.955 15.955 7.153 90 90 120 R3m
atom       x      y       z occ  Uiso
NaX        0      0  .84080 .88 .0209
CaX        0      0  .84080 .04 .0209
MgY   .06312 .93688  .44473 .43 .0088
FeY   .06312 .93688  .44473 .29 .0088
AlY   .06312 .93688  .44473 .19 .0088
MnY   .06312 .93688  .44473 .03 .0088
TiY   .06312 .93688  .44473 .01 .0088
LiY   .06312 .93688  .44473 .04 .0088
AlZ   .26174 .29827  .45757 .91 .0071
MgZ   .26174 .29827  .45757 .09 .0071
SiT   .19009 .19191  .07041     .0067
B     .88998 .11002  .61615     .0082
F1         0      0  .29119 .61 .0197
OH1        0      0  .29119 .39 .0197
OH2   .93841 .06159  .59029     .0122
O3    .13491 .86509  .55913     .0114
O4    .90702 .09298  .00075     .0109
O5    .09271 .90729 -.02049     .0108
O6    .18803 .19746  .29369     .0094
O7    .28527 .28493 -.01074     .0092
O8    .27133 .21031  .62784     .0100
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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