American Mineralogist Crystal Structure Database

2 matching records for this search.

Macfallite
Download hom/macfallite.pdf
Nagashima M, Rahmoun N S, Alekseev E V, Geiger C A, Armbruster T, Akasaka M
Download am/vol93/AM93_1851.pdf
American Mineralogist 93 (2008) 1851-1857
Crystal chemistry of macfallite: Relationships to sursassite and pumpellyite
Locality: Manganese Lake, Copper Harbor, Keweenaw County, Michigan
_database_code_amcsd 0004767
8.959 6.072 10.218 90 110.75 90 P2_1/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   .1670   .25 .3134      .0095  .0076  .0116  .0084      0  .0018      0
Ca2   .2949   .25 .6813      .0096  .0119  .0105  .0081      0  .0057      0
MnMn1    .5     0    .5 .837 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
AlMn1    .5     0    .5  .09 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MgMn1    .5     0    .5  .03 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
CuMn1    .5     0    .5  .01 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
VMn1     .5     0    .5 .003 .0075  .0061  .0102  .0066  .0002  .0027 -.0002
MnMn2    .5     0     0 .837 .0057  .0047  .0070  .0062  .0005  .0029  .0007
AlMn2    .5     0     0  .09 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MgMn2    .5     0     0  .03 .0057  .0047  .0070  .0062  .0005  .0029  .0007
CuMn2    .5     0     0  .01 .0057  .0047  .0070  .0062  .0005  .0029  .0007
VMn2     .5     0     0 .003 .0057  .0047  .0070  .0062  .0005  .0029  .0007
MnMn3     0    .5     0 .837 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
AlMn3     0    .5     0  .09 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
MgMn3     0    .5     0  .03 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
CuMn3     0    .5     0  .01 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
VMn3      0    .5     0 .003 .0071  .0048  .0087  .0078 -.0005  .0022 -.0007
Si1   .3080   .75 .1891      .0087  .0056  .0113  .0098      0  .0035      0
Si2   .2074   .75 .8040      .0078  .0052  .0104  .0087      0  .0034      0
Si3   .1630   .75 .4982      .0071  .0081  .0074  .0069      0  .0040      0
O1    .2585 .5212 .4988      .0094  .0106   .009  .0106   .000  .0064  -.002
O2    .1937 .5340 .1622      .0106  .0087   .013  .0087   .001  .0010  -.001
O3    .3153 .5289 .8358      .0099  .0080   .012  .0080  .0020  .0011   .000
O4    .4213   .75 .0929      .0174   .006   .033   .013      0   .004      0
O5    .4444   .75 .3485      .0112   .007   .012   .014      0   .003      0
O6    .0866   .25 .9348      .0101   .011   .008   .014      0   .007      0
O7    .4395   .25 .3806      .0115   .006   .014   .015      0   .003      0
O8    .0726   .75 .8761      .0106   .007   .015   .013      0   .006      0
O9    .0999   .75 .6326      .0099   .008   .014   .009      0   .005      0
O10  -.0071   .75 .3610      .0120   .012   .021   .003      0   .004      0
O11   .3983   .25 .0631      .0168   .007   .025   .019      0   .006      0
H6    .2032   .25  .978        .05
H10   -.002   .75 .2666        .05
H11    .405   .25 .1609        .05
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Geschieberite
 
Alekseev E V, Suleimanov E V, Chuprunov E V, Marychev M O, Ivanov V A, Fukin G K
 
Crystallography Reports 51 (2006) 29-33
Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O
compound at 293 K
Locality: Synthetic
_database_code_amcsd 0020465
13.773 7.288 11.556 90 90 90 Pna2_1
atom        x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1     .93060 -.23782  .54651  .0263  .0092  .0245  .0453   .0016 -.0034  .0033
K2     .92862 -.23892  .97288  .0210  .0162  .0100  .0369  -.0007  .0011 -.0058
U1    .744807 .085624  .76040 .00437 .00702 .00439 .00171 -.00029 .00187 .00210
S1     .82327  .25669  .47873  .0060  .0085  .0045  .0050   .0005  .0001  .0010
S2     .82366  .25576 1.03854  .0067  .0088  .0058  .0054  -.0010 -.0002 -.0013
O1      .8722   .0677   .7603  .0155  .0146  .0162  .0157  -.0002  .0000 -.0001
O2      .6172   .1029   .7633  .0130  .0127  .0136  .0127  -.0008  .0000  .0000
O3      .7521   .1947   .9507  .0104  .0115  .0103  .0095  -.0007 -.0009 -.0002
O4      .7529   .2208   .5769  .0050  .0064  .0042  .0044  -.0002  .0015  .0004
O5      .7682   .3273   .3825  .0171  .0177  .0171  .0165   .0004  .0002  .0012
O6      .7571   .3288  1.1354  .0023  .0031  .0026  .0011   .0002 -.0005 -.0015
Wat7    .7356   .4311   .7637  .0152  .0172  .0137  .0147   .0007 -.0003  .0004
O8      .8943   .3938   .5104  .0114  .0114  .0108  .0118  -.0019 -.0008 -.0002
O9      .8662   .0821   .4388  .0119  .0121  .0110  .0127   .0015  .0001 -.0018
O10     .8901   .3909   .9910  .0173  .0175  .0166  .0177  -.0015  .0010  .0003
O11     .8785   .0946  1.0758  .0130  .0130  .0121  .0140   .0008  .0000  .0013
Wat12   .9306  -.3996   .7579  .0296  .0272  .0348  .0267   .0042   .001   .004
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: 2
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