American Mineralogist Crystal Structure Database

7 matching records for this search.

Pretulite
Download hom/pretulite.pdf
Bernhard F, Walter F, Ettinger K, Taucher J, Mereiter K
Download am/vol83/AM83_625.pdf
American Mineralogist 83 (1998) 625-630
Pretulite, ScPO4, a new scandium mineral from the Styrian and Lower Austrian
lazulite occurrences, Austria
_database_code_amcsd 0002010
6.589 6.589 5.806 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sc   0   .75  .125  .0052  .0052  .0037      0      0      0
P    0   .25  .375  .0054  .0054  .0036      0      0      0
O    0 .0700 .2067  .0108  .0062  .0052      0      0 -.0008
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Hydroxylellestadite
Download hom/hydroxylellestadite.pdf
Onac B P, Effenberger H, Ettinger K, Panzaru S P
Download am/vol91/AM91_1927.pdf
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004257
9.496 9.496 6.920 90 90 120 P6_3/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)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0
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Ellestadite-(OH)
Download hom/ellestaditeoh.pdf
Onac B P, Effenberger H, Ettinger K, Panzaru S P
Download am/vol91/AM91_1927.pdf
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004258
9.496 9.496 6.920 90 90 120 P6_3/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)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0
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Trattnerite
 
Postl W, Walter F, Ettinger K, Hauzenberger C, Bojar H P
 
European Journal of Mineralogy 16 (2004) 375-380
Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
mineral data and crystal structure
Sample: tr1
Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3
_database_code_amcsd 0007066
10.050 10.050 14.338 90 90 120 P6/mcc
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC       0     0   .25 .05  .02
FeA    1/3   2/3   .25 .65       .0079  .0079  .0071  .0040      0      0
MgA    1/3   2/3   .25 .35       .0079  .0079  .0071  .0040      0      0
Mg2     .5    .5   .25 .62       .0185  .0185  .0102  .0153      0      0
Fe2     .5    .5   .25 .38       .0185  .0185  .0102  .0153      0      0
Si1  .1184 .3554 .1085           .0092  .0105  .0082  .0050 -.0002 -.0008
O1   .1345 .4019     0            .021   .018   .012   .008      0      0
O2   .2277 .2848 .1318            .017   .021   .022   .014   .001   .001
O3   .1588 .5004 .1739            .014   .014   .013  .0072 -.0011 -.0034
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Trattnerite
 
Postl W, Walter F, Ettinger K, Hauzenberger C, Bojar H P
 
European Journal of Mineralogy 16 (2004) 375-380
Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group:
mineral data and crystal structure
Sample: tr2
Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3
_database_code_amcsd 0007067
10.065 10.065 14.341 90 90 120 P6/mcc
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC        0      0    .25 .12   .019   .019   .015   .009      0      0
FeA     1/3    2/3    .25 .62  .0075  .0075  .0065  .0038      0      0
MgA     1/3    2/3    .25 .38  .0075  .0075  .0065  .0038      0      0
Mg2      .5     .5    .25 .59  .0145  .0145  .0081  .0104      0      0
Fe2      .5     .5    .25 .41  .0145  .0145  .0081  .0104      0      0
Si1  .11856 .35553 .10866      .0101  .0108  .0071  .0052 -.0000 -.0005
O1    .1339  .4009      0       .016   .015   .010   .007      0      0
O2    .2273  .2842  .1323      .0163  .0170  .0155  .0105  .0007  .0002
O3    .1595  .5012  .1737      .0139  .0133  .0104  .0077 -.0015 -.0025
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Struvite-(K)
 
Graeser S, Postl W, Bojar H P, Berlepsch P, Armbruster T, Raber T, Ettinger K, Walter F
 
European Journal of Mineralogy 20 (2008) 629-633
Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
Locality: Lengenbach, Switzerland
_database_code_amcsd 0007262
6.892 6.166 11.139 90 90 90 Pmn2_1
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0  .3662 .0032 .0586   .069  .0497   .057      0      0  .0120
Mg       0  .3825 .6492 .0201  .0220  .0169  .0215      0      0  .0018
P        0 -.0073 .2756 .0169  .0184  .0148  .0174      0      0 -.0007
O1       0 -.0214 .1381 .0275   .029   .028   .026      0      0   .003
O2       0 -.2381 .3293 .0272   .035   .018   .028      0      0   .006
O3   .1820  .1109 .3186 .0239  .0228  .0218   .027 -.0017   .002  -.003
O4     1/2  .3104 .0627  .049   .097   .021   .029      0      0      0
O5     1/2  .9147 .2409  .042   .020   .036   .071      0      0  -.031
O6   .2209  .2690 .5387 .0309   .027   .048   .018   .007   .001  -.005
O7   .2892  .5110 .2642 .0400   .041   .023   .056   .005   .024   .013
H41    1/2   .300 -.016  .037
H42    1/2   .256  .134  .037
H51   .391   .985  .251  .037
H61   .195   .251  .467  .037
H62   .303   .196  .584  .037
H71   .238   .401  .278  .037
H72   .186   .578  .290  .037
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Anthophyllite
Download hom/anthophyllite.pdf
Walitzi E M, Walter F, Ettinger K
Download zk/vol188/ZK188_237.pdf
Zeitschrift fur Kristallographie 188 (1989) 237-244
Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich
_database_code_amcsd 0010994
18.544 18.026 5.282 90 90 90 Pnma
atom     x      y      z    occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na4  .1239 -.0094  .3897   .005  .80  .0115  .0113  .0078  .0017  .0031  .0015
Ca4  .1239 -.0094  .3897    .01  .80  .0115  .0113  .0078  .0017  .0031  .0015
Mg4  .1239 -.0094  .3897    .38  .80  .0115  .0113  .0078  .0017  .0031  .0015
Fe4  .1239 -.0094  .3897   .595  .80  .0115  .0113  .0078  .0017  .0031  .0015
Mn4  .1239 -.0094  .3897    .01  .80  .0115  .0113  .0078  .0017  .0031  .0015
Fel  .1251  .1634  .3930    .02  .56  .0089  .0052  .0070 -.0001 -.0005  .0005
Mgl  .1251  .1634  .3930    .98  .56  .0089  .0052  .0070 -.0001 -.0005  .0005
Mg2  .1250  .0731 -.1084         .55  .0089  .0048  .0072 -.0001 -.0004 -.0001
Fe3  .1255    .25 -.1070    .01  .52  .0075  .0058  .0063      0 -.0017      0
Mg3  .1255    .25 -.1070    .99  .52  .0075  .0058  .0063      0 -.0017      0
Si1A .2305 -.1655 -.4330 .99375  .45  .0064  .0052  .0057 -.0001  .0004 -.0009
Al1A .2305 -.1655 -.4330 .00625  .45  .0064  .0052  .0057 -.0001  .0004 -.0009
Si1B .0186 -.1664  .2743 .99375  .48  .0063  .0052  .0068 -.0001 -.0009 -.0002
Al1B .0186 -.1664  .2743 .00625  .48  .0063  .0052  .0068 -.0001 -.0009 -.0002
Si2A .2271 -.0798  .0637 .99375  .51  .0066  .0062  .0066  .0002 -.0006 -.0004
Al2A .2271 -.0798  .0637 .00625  .51  .0066  .0062  .0066  .0002 -.0006 -.0004
Si2B .0245 -.0817 -.2246 .99375  .53  .0079  .0065  .0056 -.0010  .0005 -.0006
Al2B .0245 -.0817 -.2246 .00625  .53  .0079  .0065  .0056 -.0010  .0005 -.0006
O1A  .1825  .1635  .0599         .64  .0089  .0063  .0092 -.0001  .0006  .0010
O1B  .0682  .1636 -.2725         .68  .0113  .0073  .0073  .0009 -.0011 -.0002
O2A  .1857  .0773 -.4370         .63  .0091  .0085  .0063 -.0001 -.0001  .0009
O2B  .0631  .0772  .2209         .71  .0066  .0102  .0104 -.0009 -.0016  .0001
OH3A .1831    .25 -.4427         .76  .0124  .0076  .0090      0  .0011      0
OH3B .0697    .25  .2270         .65  .0130  .0072  .0047      0  .0007      0
O4A  .1868 -.0012  .0743         .85  .0126  .0101  .0097  .0036  .0014 -.0006
O4B  .0668 -.0068 -.2908         .77  .0094  .0088  .0112 -.0022  .0002  .0027
O5A  .1973 -.1178  .3321         .82  .0103  .0135  .0073 -.0002 -.0015  .0031
O5B  .0504 -.1118  .0565         .59  .0080  .0082  .0062 -.0023 -.0015  .0025
O6A  .2003 -.1310 -.1712         .78  .0116  .0104  .0077 -.0014  .0010 -.0047
O6B  .0486 -.1404 -.4496         .88  .0112  .0121  .0100  .0022 -.0001 -.0025
O7A  .2025    .75  .5405         .80  .0138  .0036  .0131      0 -.0034      0
O7B  .0464    .75  .2220         .88  .0080  .0071  .0182      0  .0014      0
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Total number of retrieved datasets: 7
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