American Mineralogist Crystal Structure Database

37 matching records for this search.

Realgar
Download hom/realgar.pdf
Kyono A, Kimata M, Hatta T
Download am/vol90/AM90_1563.pdf
American Mineralogist 90 (2005) 1563-1570
Light-induced degradation dynamics in realgar: in situ structural investigation
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
Sample: Getchell mine, Nevada; t = 0 hours
Note: space group corrected
_database_code_amcsd 0003933
9.327 13.563 6.590 90 106.46 90 P2_1/n
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .1211 -.0206 .7635 .0418  .0426  .0373  .0456 -.0045  .0125 -.0034
As2  .4240  .1388 .8562 .0406  .0371  .0378  .0488 -.0020  .0154  .0005
As3  .3208  .1264 .1780 .0405  .0390  .0429  .0397 -.0005  .0111 -.0030
As4  .0395  .1609 .7147 .0429  .0370  .0427  .0481  .0047  .0106  .0020
S1   .3440 -.0064 .7007 .0426  .0454  .0383  .0475  .0054  .0190 -.0024
S2   .2138 -.0234 .1147 .0426  .0441  .0393  .0463 -.0018  .0157  .0042
S3   .2380  .2261 .6393 .0440  .0494  .0381  .0467  .0032  .0172  .0080
S4   .1071  .2103 .0522 .0445  .0441  .0476  .0456  .0073  .0189 -.0017
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A, Kimata M, Hatta T
Download am/vol90/AM90_1563.pdf
American Mineralogist 90 (2005) 1563-1570
Light-induced degradation dynamics in realgar: in situ structural investigation
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
Sample: Getchell mine, Nevada; t = 6 hours
Note: space group corrected
_database_code_amcsd 0003934
9.343 13.561 6.580 90 106.10 90 P2_1/n
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .1229 -.0209 .7640 .0456  .0473  .0386  .0483 -.0050  .0089 -.0051
As2  .4234  .1392 .8548 .0451  .0423  .0383  .0567 -.0034  .0172  .0027
As3  .3206  .1268 .1761 .0452  .0469  .0457  .0425 -.0019  .0115 -.0043
As4  .0406  .1607 .7153 .0479  .0453  .0458  .0502  .0047  .0092  .0028
S1   .3461 -.0062 .7033 .0475  .0533  .0418  .0508  .0047  .0200  .0066
S2   .2138 -.0225 .1146 .0458  .0479  .0386  .0469 -.0021  .0066  .0049
S3   .2397  .2246 .6399 .0507  .0585  .0396  .0563  .0053  .0196  .0101
S4   .1068  .2098 .0494 .0494  .0502  .0455  .0540  .0110  .0173 -.0049
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A, Kimata M, Hatta T
Download am/vol90/AM90_1563.pdf
American Mineralogist 90 (2005) 1563-1570
Light-induced degradation dynamics in realgar: in situ structural investigation
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
Sample: Getchell mine, Nevada; t = 12 hours
Note: space group corrected
_database_code_amcsd 0003935
9.360 13.573 6.590 90 105.71 90 P2_1/n
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .1241 -.0206 .7649 .0598  .0627  .0500  .0652 -.0071  .0149 -.0033
As2  .4235  .1386 .8541 .0565  .0500  .0463  .0753  .0020  .0206  .0032
As3  .3206  .1266 .1760 .0554  .0548  .0558  .0551 -.0047  .0142 -.0069
As4  .0415  .1599 .7152 .0595  .0553  .0552  .0635  .0035  .0082  .0039
S1   .3465 -.0057 .7041 .0588  .0597  .0499  .0710  .0042  .0251  .0034
S2   .2129 -.0219 .1141 .0568  .0591  .0535  .0611  .0030  .0222  .0057
S3   .2394  .2256 .6438 .0650  .0790  .0442  .0683  .0061  .0139  .0107
S4   .1065  .2105 .0466 .0656  .0632  .0575  .0773  .0087  .0213 -.0044
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Realgar
Download hom/realgar.pdf
Kyono A, Kimata M, Hatta T
Download am/vol90/AM90_1563.pdf
American Mineralogist 90 (2005) 1563-1570
Light-induced degradation dynamics in realgar: in situ structural investigation
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
Sample: Getchell mine, Nevada; t = 18 hours
Note: space group corrected
_database_code_amcsd 0003936
9.380 13.569 6.593 90 105.55 90 P2_1/n
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .1254 -.0205 .7660 .0653  .0711  .0530  .0725 -.0081  .0206 -.0055
As2  .4229  .1392 .8517 .0628  .0557  .0567  .0812  .0017  .0272  .0024
As3  .3197  .1267 .1735 .0646  .0590  .0647  .0721 -.0019  .0212 -.0012
As4  .0412  .1597 .7151 .0687  .0580  .0660  .0802  .0026  .0154  .0034
S1   .3459 -.0058 .6994 .0680  .0662  .0603  .0833  .0113  .0298  .0019
S2   .2126 -.0221 .1123 .0692  .0546  .0627  .0948  .0002  .0278 -.0007
S3   .2388  .2248 .6421 .0777  .0704  .0670  .0927  .0090  .0165  .0251
S4   .1079  .2110 .0484 .0818  .0747  .0627  .1132  .0174  .0344 -.0206
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A, Kimata M, Hatta T
Download am/vol90/AM90_1563.pdf
American Mineralogist 90 (2005) 1563-1570
Light-induced degradation dynamics in realgar: in situ structural investigation
using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
Sample: Getchell mine, Nevada; t = 24 hours
Note: space group corrected
_database_code_amcsd 0003937
9.385 13.570 6.600 90 105.36 90 P2_1/n
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .1252 -.0207 .7617 .0760  .0884  .0645  .0732  .0010  .0180 -.0036
As2  .4248  .1390 .8502 .0673  .0785  .0532  .0750  .0050  .0288  .0032
As3  .3211  .1275 .1714 .0608  .0629  .0648  .0544  .0045  .0149 -.0075
As4  .0379  .1594 .7147 .0795  .0749  .0841  .0825  .0075  .0260  .0031
S1   .3465 -.0072 .7044 .0680  .0880  .0408  .0788 -.0368  .0282  .0023
S2   .2131 -.0246 .1126 .0872  .1401  .0550  .0717  .0434  .0371  .0124
S3   .2416  .2263 .6439 .0706  .0865  .0541  .0700 -.0048  .0189 -.0083
S4   .1081  .2121 .0342 .0793  .0942  .0764  .0685 -.0018  .0236  .0027
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se0-2
_database_code_amcsd 0004856
9.3334 13.5780 6.6006 90 106.499 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12100 -.02072 .76335 .02366 .02444 .02287 .02291 -.00408 .00547 -.00333
As2 .42374  .13896 .85628 .02327 .01995 .02396 .02782 -.00092 .00992  .00157
As3 .32096  .12643 .17791 .02311 .02156 .02803 .01906 -.00120 .00464 -.00353
As4 .03926  .16103 .71451 .02499 .02051 .02792 .02513  .00576 .00418  .00232
SX1 .34415 -.00626 .70090 .02560  .0276  .0248  .0273   .0032  .0123  -.0033
SX2 .21431 -.02341 .11564 .02522  .0256  .0275  .0231  -.0026  .0080   .0043
SX3 .23868  .22617 .63965 .02757  .0320  .0239  .0286   .0032  .0115   .0079
SX4 .10680  .20995 .05213 .02857  .0272  .0314  .0299   .0062  .0125  -.0056
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se0-3
_database_code_amcsd 0004857
9.3420 13.5666 6.5961 90 106.531 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12116 -.02074 .76347 .02617  .0312  .0222  .0236 -.00410  .0054  -.0033
As2 .42373  .13898 .85626 .02567  .0263  .0236  .0282 -.00106  .0095   .0015
As3 .32093  .12655 .17794 .02568  .0286  .0280  .0190 -.00135 .00442  -.0034
As4 .03945  .16103 .71478 .02791  .0273  .0285  .0257  .00523  .0040   .0024
SX1 .34460 -.00606  .7011  .0282  .0355  .0256  .0262   .0042  .0129  -.0028
SX2 .21424 -.02336  .1158  .0275  .0319  .0264  .0238  -.0018  .0075   .0040
SX3 .23877  .22625  .6396  .0300  .0384  .0238  .0292   .0031  .0115   .0081
SX4 .10681  .20989  .0519  .0314  .0335  .0312  .0309   .0065  .0114  -.0056
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se0-4
_database_code_amcsd 0004858
9.3389 13.5871 6.5981 90 106.500 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12097 -.02074 .76336 .02475  .0258  .0225  .0244  -.0037  .0046  -.0030
As2 .42379  .13895 .85640 .02436  .0210  .0236  .0295  -.0010  .0087   .0015
As3 .32100  .12646 .17807 .02420  .0231  .0273  .0207  -.0012  .0038  -.0034
As4 .03937  .16109 .71454 .02637  .0220  .0270  .0275   .0054  .0026   .0020
SX1 .34449 -.00622  .7010  .0269  .0307  .0251  .0270   .0033  .0120  -.0029
SX2 .21412 -.02339  .1156  .0260  .0278  .0257  .0245  -.0025  .0073   .0041
SX3 .23878  .22609  .6395  .0293  .0328  .0248  .0308   .0032  .0103   .0086
SX4 .10658  .20990  .0522  .0308  .0290  .0318  .0338   .0060  .0126  -.0057
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se0-5
_database_code_amcsd 0004859
9.3453 13.5885 6.5973 90 106.4598 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12128 -.02066 .76357 .02575  .0245 .02292  .0284 -.00402 .00510 -.00333
As2 .42386  .13900 .85648 .02558  .0200  .0244  .0336 -.00130 .00939  .00158
As3 .32100  .12653 .17798 .02519  .0217  .0285  .0239 -.00149 .00429 -.00365
As4 .03947  .16105 .71471 .02745  .0208  .0286  .0304  .00554 .00306  .00221
SX1 .34465 -.00601 .70108  .0280  .0293  .0253  .0318   .0034  .0129  -.0037
SX2 .21438 -.02321 .11636  .0271  .0255  .0273  .0279  -.0024  .0068   .0050
SX3 .23897  .22620 .63959  .0304  .0324  .0246  .0351   .0030  .0112   .0076
SX4 .10710  .20997 .05235  .0309  .0277  .0317  .0349   .0062  .0114  -.0064
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-1
_database_code_amcsd 0004860
9.4342 13.6374 6.6443 90 106.523 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11910 -.01993 .76060      .0285  .0299  .0267  .0279 -.0041  .0064 -.0038
As2  .42416  .13982 .85844      .0284  .0251  .0294  .0320 -.0006  .0103  .0011
As3  .32232  .12847 .17723      .0280  .0267  .0340  .0227 -.0016  .0063 -.0041
As4  .03978  .16074 .71013      .0303  .0254  .0321  .0308  .0058  .0040  .0024
SX1  .34373 -.00869 .69754 .616 .0329  .0353  .0312  .0337  .0036  .0119 -.0007
SeX1 .34373 -.00869 .69754 .384 .0329  .0353  .0312  .0337  .0036  .0119 -.0007
SX2  .21391 -.02487 .11851 .587 .0310  .0302  .0323  .0308 -.0011  .0094  .0024
SeX2 .21391 -.02487 .11851 .413 .0310  .0302  .0323  .0308 -.0011  .0094  .0024
SX3  .24040  .22833 .63979 .781 .0306  .0328  .0296  .0314  .0030  .0119  .0068
SeX3 .24040  .22833 .63979 .219 .0306  .0328  .0296  .0314  .0030  .0119  .0068
SX4  .10824  .21377 .05416 .666 .0333  .0312  .0369  .0338  .0034  .0126 -.0044
SeX4 .10824  .21377 .05416 .334 .0333  .0312  .0369  .0338  .0034  .0126 -.0044
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-3
_database_code_amcsd 0004861
9.4654 13.6771 6.6635 90 106.517 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11780 -.01975 .75947      .0241  .0258  .0199  .0241 -.0039  .0033 -.0034
As2  .42432  .14020 .85963      .0234  .0209  .0224  .0267 -.0004  .0064  .0010
As3  .32290  .12921 .17647      .0232  .0229  .0272  .0177 -.0003  .0028 -.0035
As4  .03955  .16072 .70840      .0257  .0228  .0247  .0261  .0054  .0011  .0031
SX1  .34314 -.00928 .69695 .473 .0265  .0309  .0225  .0258  .0033  .0077 -.0003
SeX1 .34314 -.00928 .69695 .527 .0265  .0309  .0225  .0258  .0033  .0077 -.0003
SX2  .21363 -.02515 .11823 .407 .0261  .0248  .0263  .0265 -.0008  .0060  .0022
SeX2 .21363 -.02515 .11823 .593 .0261  .0248  .0263  .0265 -.0008  .0060  .0022
SX3  .24116  .22909 .64055 .623 .0281  .0310  .0235  .0288  .0027  .0067  .0053
SeX3 .24116  .22909 .64055 .377 .0281  .0310  .0235  .0288  .0027  .0067  .0053
SX4  .10916  .21469 .05508 .478 .0304  .0320  .0308  .0302  .0046  .0115 -.0034
SeX4 .10916  .21469 .05508 .522 .0304  .0320  .0308  .0302  .0046  .0115 -.0034
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-4
_database_code_amcsd 0004862
9.4602 13.6374 6.6556 90 106.4895 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11901 -.02014 .76064      .0234  .0229  .0199  .0246 -.0034  .0017 -.0036
As2  .42431  .13999 .85919      .0228  .0166  .0229  .0288 -.0001  .0061  .0010
As3  .32226  .12879 .17684      .0227  .0203  .0272  .0190 -.0009  .0032 -.0037
As4  .04005  .16074 .70973      .0248  .0191  .0245  .0270  .0053  .0003  .0025
SX1  .34387 -.00855 .69768 .564 .0269  .0289  .0245  .0268  .0020  .0074 -.0003
SeX1 .34387 -.00855 .69768 .436 .0269  .0289  .0245  .0268  .0020  .0074 -.0003
SX2  .21419 -.02459 .11879 .537 .0243  .0221  .0251  .0256 -.0016  .0067  .0025
SeX2 .21419 -.02459 .11879 .463 .0243  .0221  .0251  .0256 -.0016  .0067  .0025
SX3  .24046  .22839 .63985 .728 .0269  .0264  .0227  .0299  .0010  .0054  .0060
SeX3 .24046  .22839 .63985 .272 .0269  .0264  .0227  .0299  .0010  .0054  .0060
SX4  .10821  .21374 .05413 .601 .0280  .0253  .0313  .0282  .0040  .0092 -.0044
SeX4 .10821  .21374 .05413 .399 .0280  .0253  .0313  .0282  .0040  .0092 -.0044
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-5
_database_code_amcsd 0004863
9.4424 13.6400 6.6537 90 106.506 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11865 -.01991 .76043      .0247  .0273  .0208  .0240 -.0035  .0039 -.0038
As2  .42448  .14011 .85911      .0242  .0215  .0236  .0275 -.0011  .0067  .0008
As3  .32250  .12878 .17699      .0246  .0248  .0290  .0181 -.0004  .0033 -.0034
As4  .03991  .16078 .70955      .0267  .0231  .0265  .0269  .0057  .0013  .0025
SX1  .34334 -.00908 .69715 .533 .0295  .0350  .0258  .0280  .0027  .0095 -.0006
SeX1 .34334 -.00908 .69715 .467 .0295  .0350  .0258  .0280  .0027  .0095 -.0006
SX2  .21374 -.02504 .11834 .496 .0274  .0268  .0280  .0271 -.0022  .0072  .0026
SeX2 .21374 -.02504 .11834 .504 .0274  .0268  .0280  .0271 -.0022  .0072  .0026
SX3  .24062  .22855 .64001 .701 .0294  .0357  .0253  .0265  .0024  .0076  .0056
SeX3 .24062  .22855 .64001 .299 .0294  .0357  .0253  .0265  .0024  .0076  .0056
SX4  .10881  .21434 .05473 .560 .0320  .0323  .0344  .0301  .0043  .0102 -.0055
SeX4 .10881  .21434 .05473 .440 .0320  .0323  .0344  .0301  .0043  .0102 -.0055
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-6
_database_code_amcsd 0004864
9.4461 13.6429 6.6526 90 106.550 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1   .1191 -.02006  .7603      .0265  .0285  .0227  .0284 -.0040  .0085 -.0047
As2  .42386  .14017  .8584      .0250  .0201  .0261  .0303  .0010  .0096  .0011
As3   .3223  .12867  .1767      .0265  .0277  .0317  .0204 -.0011  .0075 -.0046
As4  .04018  .16082  .7090      .0275  .0216  .0284  .0310  .0062  .0052  .0023
SX1  .34335 -.00907 .69716 .561 .0296  .0309  .0273  .0321  .0049  .0117 -.0004
SeX1 .34335 -.00907 .69716 .439 .0296  .0309  .0273  .0321  .0049  .0117 -.0004
SX2  .21389 -.02489 .11849 .532 .0276  .0271  .0295  .0286 -.0028  .0119  .0012
SeX2 .21389 -.02489 .11849 .468 .0276  .0271  .0295  .0286 -.0028  .0119  .0012
SX3  .24057  .22850 .63996 .732 .0319   .040  .0248  .0323  .0017  .0114  .0074
SeX3 .24057  .22850 .63996 .268 .0319   .040  .0248  .0323  .0017  .0114  .0074
SX4  .10869  .21422 .05461 .605 .0304   .029  .0333  .0311  .0045  .0126 -.0061
SeX4 .10869  .21422 .05461 .395 .0304   .029  .0333  .0311  .0045  .0126 -.0061
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-7
_database_code_amcsd 0004865
9.4601 13.6323 6.6492 90 106.491 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11901 -.02008 .76074      .0217  .0178  .0201  .0243 -.0036  .0013 -.0034
As2  .42392  .14010 .85871      .0214  .0126  .0243  .0283 -.0009  .0070  .0003
As3  .32214  .12866 .17684      .0218  .0156  .0284  .0194 -.0005  .0014 -.0028
As4  .04006  .16066 .70982      .0237  .0141  .0259  .0279  .0047  .0008  .0023
SX1  .34386 -.00856 .69767 .573 .0252  .0229  .0244  .0288  .0024  .0078  .0006
SeX1 .34386 -.00856 .69767 .427 .0252  .0229  .0244  .0288  .0024  .0078  .0006
SX2  .21413 -.02465 .11873 .522 .0255  .0181  .0291  .0288 -.0022  .0060  .0015
SeX2 .21413 -.02465 .11873 .478 .0255  .0181  .0291  .0288 -.0022  .0060  .0015
SX3  .24035  .22828 .63974 .714 .0269  .0243  .0257  .0304  .0021  .0073  .0049
SeX3 .24035  .22828 .63974 .286 .0269  .0243  .0257  .0304  .0021  .0073  .0049
SX4  .10798  .21351 .05390 .601 .0279  .0199  .0336  .0319  .0041  .0100 -.0056
SeX4 .10798  .21351 .05390 .399 .0279  .0199  .0336  .0319  .0041  .0100 -.0056
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-8
_database_code_amcsd 0004866
9.446 13.629 6.6496 90 106.426 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11894 -.02002  .7605      .0295  .0301  .0222  .0352 -.0036  .0075 -.0030
As2  .42399  .14009  .8589      .0294  .0256  .0254  .0385 -.0006  .0114  .0005
As3  .32211  .12871  .1770      .0293  .0278  .0298  .0292 -.0008  .0063 -.0036
As4  .03995  .16068  .7096      .0314  .0266  .0271  .0377  .0063  .0048  .0027
SX1  .34372 -.00870 .69753 .536 .0361  .0405  .0282  .0411  .0029  .0139  .0003
SeX1 .34372 -.00870 .69753 .464 .0361  .0405  .0282  .0411  .0029  .0139  .0003
SX2  .21432 -.02446 .11892 .534 .0319  .0311  .0285  .0366 -.0020  .0104  .0036
SeX2 .21432 -.02446 .11892 .466 .0319  .0311  .0285  .0366 -.0020  .0104  .0036
SX3  .24009  .22802 .63949 .737 .0329  .0372  .0231  .0373  .0005  .0087  .0046
SeX3 .24009  .22802 .63949 .263 .0329  .0372  .0231  .0373  .0005  .0087  .0046
SX4  .10808  .21361 .05400 .632 .0329  .0288  .0322  .0405  .0030  .0140 -.0043
SeX4 .10808  .21361 .05400 .368 .0329  .0288  .0322  .0405  .0030  .0140 -.0043
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-9
_database_code_amcsd 0004867
9.4598 13.6531 6.6604 90 106.511 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11870 -.02011 .76043      .0232  .0226  .0184  .0267 -.0035  .0043 -.0033
As2  .42388  .14016 .85908      .0227  .0173  .0216  .0300 -.0008  .0082  .0014
As3  .32225  .12888 .17682      .0225  .0192  .0257  .0206 -.0006  .0024 -.0032
As4  .03976  .16076 .70932      .0251  .0184  .0237  .0297  .0057  .0015  .0025
SX1  .34372 -.00870 .69753 .547 .0266  .0283  .0227  .0294  .0028  .0091 -.0002
SeX1 .34372 -.00870 .69753 .453 .0266  .0283  .0227  .0294  .0028  .0091 -.0002
SX2  .21361 -.02517 .11821 .509 .0252  .0220  .0250  .0281 -.0017  .0064  .0019
SeX2 .21361 -.02517 .11821 .491 .0252  .0220  .0250  .0281 -.0017  .0064  .0019
SX3  .24065  .22858 .64004 .701 .0279  .0287  .0233  .0318  .0038  .0087  .0062
SeX3 .24065  .22858 .64004 .299 .0279  .0287  .0233  .0318  .0038  .0087  .0062
SX4  .10840  .21393 .05432 .593 .0276  .0228  .0309  .0300  .0041  .0089 -.0040
SeX4 .10840  .21393 .05432 .407 .0276  .0228  .0309  .0300  .0041  .0089 -.0040
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-10
_database_code_amcsd 0004868
9.4725 13.6493 6.6579 90 106.542 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .11861 -.01982 .75985      .0251  .0266  .0209  .0256 -.0029  .0041 -.0037
As2  .42447  .14003 .85965      .0246  .0192  .0260  .0292  .0005  .0080  .0005
As3  .32226  .12898 .17667      .0248  .0218  .0307  .0200 -.0009  .0030 -.0038
As4  .03993  .16075 .70928      .0265  .0187  .0280  .0286  .0053 -.0000  .0020
SX1  .34363 -.00879 .69744 .527 .0282  .0289  .0253  .0299  .0034  .0075  .0004
SeX1 .34363 -.00879 .69744 .473 .0282  .0289  .0253  .0299  .0034  .0075  .0004
SX2  .21415 -.02463 .11875 .476 .0274  .0232  .0291  .0295 -.0018  .0073  .0016
SeX2 .21415 -.02463 .11875 .524 .0274  .0232  .0291  .0295 -.0018  .0073  .0016
SX3  .24051  .22844 .63990 .692 .0287  .0275  .0267  .0304  .0015  .0056  .0035
SeX3 .24051  .22844 .63990 .308 .0287  .0275  .0267  .0304  .0015  .0056  .0035
SX4  .10839  .21392 .05431 .555 .0298  .0273  .0332  .0311  .0046  .0117 -.0032
SeX4 .10839  .21392 .05431 .445 .0298  .0273  .0332  .0311  .0046  .0117 -.0032
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-14
_database_code_amcsd 0004869
9.3874 13.6002 6.6233 90 106.444 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12090 -.02041  .7625      .0258  .0291  .0211  .0268 -.0039  .0069 -.0040
As2  .42429  .13968  .8574      .0248  .0242  .0223  .0298 -.0005  .0107  .0011
As3  .32160  .12759  .1775      .0255  .0257  .0285  .0221 -.0025  .0064 -.0028
As4  .04054  .16105  .7131      .0276  .0254  .0255  .0293  .0049  .0036  .0031
SX1  .34493 -.00749 .69874 .812 .0315   .037  .0279  .0330  .0029  .0154 -.0011
SeX1 .34493 -.00749 .69874 .188 .0315   .037  .0279  .0330  .0029  .0154 -.0011
SX2  .21445 -.02433 .11905 .807 .0300   .033  .0268  .0317 -.0031  .0118  .0023
SeX2 .21445 -.02433 .11905 .193 .0300   .033  .0268  .0317 -.0031  .0118  .0023
SX3  .23941  .22734 .63880 .889 .0333   .036   .028  .0361  .0067  .0113  .0086
SeX3 .23941  .22734 .63880 .111 .0333   .036   .028  .0361  .0067  .0113  .0086
SX4  .10719  .21272 .05311 .852 .0314   .033  .0323  .0306  .0095  .0116 -.0038
SeX4 .10719  .21272 .05311 .148 .0314   .033  .0323  .0306  .0095  .0116 -.0038
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-15
_database_code_amcsd 0004870
9.3828 13.5837 6.6182 90 106.4839 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12097 -.02050 .76295     .02562  .0275  .0227  .0250 -.0047  .0047 -.0036
As2  .42392  .13939 .85713     .02487  .0218  .0235  .0301 -.0009  .0087  .0015
As3  .32151  .12725 .17744     .02529  .0246  .0287  .0207 -.0016  .0034 -.0036
As4  .04026  .16086 .71340     .02758  .0240  .0277  .0281  .0057  .0026  .0021
SX1  .34511 -.00731 .69892 .836 .0317  .0346  .0298  .0315  .0024  .0110 -.0017
SeX1 .34511 -.00731 .69892 .164 .0317  .0346  .0298  .0315  .0024  .0110 -.0017
SX2  .21449 -.02429 .11909 .810 .0320  .0322  .0314  .0319 -.0029  .0080  .0027
SeX2 .21449 -.02429 .11909 .190 .0320  .0322  .0314  .0319 -.0029  .0080  .0027
SX3  .23921  .22714 .63860 .895 .0341  .0394  .0286  .0354  .0026  .0127  .0074
SeX3 .23921  .22714 .63860 .105 .0341  .0394  .0286  .0354  .0026  .0127  .0074
SX4  .10648  .21201 .05240 .850 .0356  .0342  .0371  .0367  .0059  .0122 -.0060
SeX4 .10648  .21201 .05240 .150 .0356  .0342  .0371  .0367  .0059  .0122 -.0060
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-16
_database_code_amcsd 0004871
9.3616 13.5833 6.6080 90 106.378 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12080 -.02050 .76259      .0262  .0277  .0248  .0253 -.0037  .0058 -.0034
As2  .42389  .13927 .85738      .0256  .0232  .0247  .0304 -.0013  .0104  .0015
As3  .32140  .12721 .17770      .0258  .0250  .0305  .0214 -.0006  .0059 -.0036
As4  .04020  .16097 .71340      .0279  .0243  .0292  .0286  .0064  .0049  .0032
SX1  .34513 -.00729 .69894 .846 .0320  .0344  .0321  .0311  .0034  .0119 -.0010
SeX1 .34513 -.00729 .69894 .154 .0320  .0344  .0321  .0311  .0034  .0119 -.0010
SX2  .21436 -.02442 .11896 .835 .0301  .0287  .0316  .0301 -.0021  .0081  .0045
SeX2 .21436 -.02442 .11896 .165 .0301  .0287  .0316  .0301 -.0021  .0081  .0045
SX3  .23919  .22712 .63858 .922 .0313  .0345  .0278  .0336  .0027  .0131  .0065
SeX3 .23919  .22712 .63858 .078 .0313  .0345  .0278  .0336  .0027  .0131  .0065
SX4  .10646  .21199 .05238 .877 .0334  .0335  .0364  .0326  .0045  .0130 -.0076
SeX4 .10646  .21199 .05238 .123 .0334  .0335  .0364  .0326  .0045  .0130 -.0076
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-17
_database_code_amcsd 0004872
9.3805 13.6021 6.6197 90 106.442 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12068 -.02056 .76273     .02748  .0302  .0244  .0272 -.0040  .0070 -.0034
As2  .42372  .13933 .85679     .02627  .0245  .0252  .0305 -.0014  .0101  .0016
As3  .32137  .12715 .17737     .02643  .0262  .0302  .0221 -.0013  .0056 -.0031
As4  .04008  .16094 .71331     .02921  .0264  .0294  .0295  .0065  .0040  .0027
SX1  .34502 -.00740 .69883 .885 .0308  .0345  .0284  .0312  .0039  .0122 -.0014
SeX1 .34502 -.00740 .69883 .115 .0308  .0345  .0284  .0312  .0039  .0122 -.0014
SX2  .21436 -.02442 .11896 .871 .0285  .0310  .0279  .0276 -.0025  .0098  .0032
SeX2 .21436 -.02442 .11896 .129 .0285  .0310  .0279  .0276 -.0025  .0098  .0032
SX3  .23899  .22692 .63838 .934 .0332  .0383  .0283  .0339  .0029  .0117  .0055
SeX3 .23899  .22692 .63838 .066 .0332  .0383  .0283  .0339  .0029  .0117  .0055
SX4  .10626  .21179 .05218 .909 .0322  .0327  .0332  .0331  .0076  .0136 -.0047
SeX4 .10626  .21179 .05218 .090 .0322  .0327  .0332  .0331  .0076  .0136 -.0047
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se1-18
_database_code_amcsd 0004873
9.3527 13.5795 6.6069 90 106.382 90 P2_1/n
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12098 -.02069 .76305     .02619  .0273  .0242  .0260 -.0043  .0057 -.0037
As2  .42389  .13933 .85677     .02608  .0235  .0256  .0311 -.0008  .0109  .0014
As3  .32130  .12715 .17745     .02619  .0255  .0303  .0220 -.0006  .0054 -.0026
As4  .04002  .16086 .71373     .02831  .0242  .0285  .0302  .0059  .0045  .0019
SX1  .34527 -.00715 .69908 .897 .0305  .0338  .0286  .0315  .0039  .0131 -.0012
SeX1 .34527 -.00715 .69908 .103 .0305  .0338  .0286  .0315  .0039  .0131 -.0012
SX2  .21446 -.02432 .11906 .888 .0287  .0284  .0292  .0289 -.0026  .0085  .0021
SeX2 .21446 -.02432 .11906 .112 .0287  .0284  .0292  .0289 -.0026  .0085  .0021
SX3  .23888  .22681 .63827 .941 .0322  .0349  .0290  .0340  .0014  .0120  .0080
SeX3 .23888  .22681 .63827 .059 .0322  .0349  .0290  .0340  .0014  .0120  .0080
SX4  .10642  .21195 .05234 .904 .0333  .0319  .0357  .0333  .0056  .0106 -.0070
SeX4 .10642  .21195 .05234 .096 .0333  .0319  .0357  .0333  .0056  .0106 -.0070
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se2-1
_database_code_amcsd 0004874
9.4193 13.6027 6.6311 90 106.483 90 P2_1/n
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12027 -.02012  .7621       .0281  .0304  .0249  .0278 -.0040  .0061 -.0037
As2  .42419  .13989  .8582       .0274  .0248  .0263  .0310 -.0006  .0082  .0023
As3  .32215  .12816  .1771       .0276  .0269  .0327  .0215 -.0004  .0039 -.0029
As4  .04081  .16092  .7126       .0301  .0273  .0290  .0308  .0056  .0028  .0013
SX1  .34464 -.00778 .69845 .734  .0313  .0348  .0294  .0306  .0032  .0100 -.0027
SeX1 .34464 -.00778 .69845 .266  .0313  .0348  .0294  .0306  .0032  .0100 -.0027
SX2  .21428 -.02450 .11888 .684  .0306  .0301  .0309  .0304 -.0027  .0065  .0029
SeX2 .21428 -.02450 .11888 .316  .0306  .0301  .0309  .0304 -.0027  .0065  .0029
SX3  .23972  .22765 .63911 .851  .0324   .035  .0296  .0294  .0052  .0058  .0104
SeX3 .23972  .22765 .63911 .149  .0324   .035  .0296  .0294  .0052  .0058  .0104
SX4  .10777  .21330 .05369 .781  .0318  .0288  .0341  .0346  .0056  .0129 -.0043
SeX4 .10777  .21330 .05369 .219  .0318  .0288  .0341  .0346  .0056  .0129 -.0043
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Realgar
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Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se2-4
_database_code_amcsd 0004877
9.4223 13.5906 6.6354 90 106.446 90 P2_1/n
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12039 -.02017 .76171      .02993  .0325  .0230  .0317 -.0032  .0049 -.0035
As2  .42412  .13987 .85811      .02955  .0267  .0266  .0363  .0002  .0105  .0023
As3  .32209  .12809 .17737       .0298  .0295  .0315  .0264 -.0012  .0050 -.0033
As4  .04077  .16081 .71239        .032  .0295  .0301  .0332  .0062  .0032  .0016
SX1  .34454 -.00788 .69835 .768  .0298  .0352  .0261  .0293  .0027  .0112 -.0013
SeX1 .34454 -.00788 .69835 .232  .0298  .0352  .0261  .0293  .0027  .0112 -.0013
SX2  .21420 -.02458 .11880 .728  .0303  .0302  .0265  .0335 -.0019  .0078  .0034
SeX2 .21420 -.02458 .11880 .273  .0303  .0302  .0265  .0335 -.0019  .0078  .0034
SX3  .23997  .22790 .63936 .898  .0293  .0326  .0227  .0325  .0018  .0093  .0076
SeX3 .23997  .22790 .63936 .102  .0293  .0326  .0227  .0325  .0018  .0093  .0076
SX4  .10773  .21326 .05365 .807  .0319  .0317  .0316  .0334  .0055  .0111 -.0041
SeX4 .10773  .21326 .05365 .193  .0319  .0317  .0316  .0334  .0055  .0111 -.0041
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Realgar
Download hom/realgar.pdf
Kyono A
Download am/vol94/AM94_451.pdf
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se2-11
_database_code_amcsd 0004882
9.4592 13.6345 6.6501 90 106.382 90 P2_1/n
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12003 -.01984 .76104       .0303  .0342  .0248  .0301 -.0045  .0064 -.0040
As2  .42439  .14042 .85897       .0294  .0264  .0289  .0340  .0002  .0107  .0019
As3  .32264  .12887 .17664       .0293  .0297  .0343  .0233 -.0009  .0066 -.0027
As4  .04115  .16070 .71102       .0322  .0283  .0321  .0327  .0056  .0026  .0016
SX1  .34419 -.00822 .69801 .564  .0370  .0424  .0332  .0358  .0019  .0120 -.0012
SeX1 .34419 -.00822 .69801 .436  .0370  .0424  .0332  .0358  .0019  .0120 -.0012
SX2  .21448 -.02430 .11908 .517  .0338  .0337  .0338  .0350 -.0011  .0116  .0029
SeX2 .21448 -.02430 .11908 .483  .0338  .0337  .0338  .0350 -.0011  .0116  .0029
SX3  .24057  .22850 .63996 .745  .0355  .0386  .0303  .0380  .0012  .0117  .0060
SeX3 .24057  .22850 .63996 .255  .0355  .0386  .0303  .0380  .0012  .0117  .0060
SX4  .10868  .21421 .05460 .634  .0361  .0360  .0379  .0372  .0050  .0152 -.0062
SeX4 .10868  .21421 .05460 .366  .0361  .0360  .0379  .0372  .0050  .0152 -.0062
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 0 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019366
9.3272 13.5660 6.5903 90 106.433 90 P2_1/n
atom      x       y      z   Uiso
As1  .12127 -.02086 .76366 .02674
As2  .42384  .13912 .85639 .02745
As3  .32101  .12658 .17802 .02703
As4  .03949  .16106 .71448 .02983
S1    .3447 -.00606  .7014  .0289
S2   .21429 -.02322  .1161  .0283
S3   .23905  .22613  .6403  .0312
S4   .10657  .20978  .0518  .0328
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 0.89 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019367
9.164 13.227 6.470 90 106.56 90 P2_1/n
atom     x      y     z  Uiso
As1  .1177 -.0236 .7616 .0252
As2  .4275  .1377 .8553 .0250
As3  .3232  .1273 .1824 .0250
As4  .0365  .1622 .7100 .0283
S1   .3430 -.0097 .6936  .032
S2   .2107 -.0262 .1191  .026
S3   .2340  .2286 .6291  .031
S4   .1075  .2154 .0521  .033
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 1.55 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019368
9.065 13.030 6.375 90 106.77 90 P2_1/n
atom     x      y     z  Uiso
As1  .1141 -.0252 .7589 .0176
As2  .4290 .13747 .8541 .0191
As3  .3248  .1274 .1846 .0174
As4  .0338  .1629 .7063 .0192
S1   .3432 -.0122 .6926 .0220
S2   .2122 -.0270 .1227 .0190
S3   .2396  .2290 .6291 .0216
S4   .1053  .2153 .0539 .0211
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 2.14 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019369
9.003 12.919 6.318 90 106.87 90 P2_1/n
atom     x      y     z  Uiso
As1  .1125 -.0261 .7580 .0195
As2  .4299  .1368 .8533 .0187
As3  .3266  .1272 .1865 .0187
As4  .0319  .1633 .7048 .0214
S1   .3408 -.0148 .6895 .0217
S2   .2085 -.0277 .1230 .0220
S3   .2364  .2293 .6221 .0253
S4   .1076  .2177 .0564 .0169
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 2.82 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019370
8.876 12.887 6.272 90 106.85 90 P2_1/n
atom     x      y     z  Uiso
As1  .1108 -.0266 .7572 .0201
As2  .4317  .1361 .8539 .0205
As3  .3267  .1274 .1882 .0191
As4  .0321  .1634 .7033 .0203
S1   .3413 -.0159 .6876 .0199
S2   .2097 -.0292 .1251 .0214
S3   .2389  .2300 .6252 .0225
S4   .1077  .2181 .0565 .0244
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 3.53 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019371
8.873 12.789 6.251 90 107.00 90 P2_1/n
atom     x      y     z  Uiso
As1  .1087 -.0280 .7569 .0168
As2  .4334  .1357 .8544 .0182
As3  .3278  .1274 .1894 .0185
As4  .0300  .1635 .7002 .0179
S1   .3425 -.0169 .6887 .0144
S2   .2095 -.0291 .1268 .0245
S3   .2379  .2322 .6218 .0194
S4   .1058  .2194 .0578 .0232
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 3.97 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019372
8.827 12.683 6.213 90 106.95 90 P2_1/n
atom     x      y     z  Uiso
As1  .1071 -.0294 .7556 .0186
As2  .4345  .1358 .8542 .0193
As3  .3284  .1277 .1922 .0169
As4  .0286  .1640 .6994 .0198
S1   .3410 -.0173 .6852  .019
S2   .2103 -.0311 .1258  .018
S3   .2390  .2313 .6208  .019
S4   .1071  .2214 .0591  .022
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Realgar
Download hom/realgar.pdf
Hejny C, Sagl R, Tobbens D M, Miletich R, Wildner M, Nasdala L,
Ullrich A, Balic-Zunic T
 
Physics and Chemistry of Minerals 39 (2012) 399-412
Crystal-structure properties and the molecular nature of
hydrostatically compressed realgar
Note: P = 5.40 GPa
Locality: Baia Sprie mine, Romania
_database_code_amcsd 0019373
8.719 12.634 6.149 90 107.1 90 P2_1/n
atom     x       y     z  Uiso
As1  .1046 -.03065 .7552 .0123
As2  .4356   .1353 .8540 .0130
As3  .3295   .1281 .1934 .0110
As4  .0271   .1649 .6976 .0125
S1   .3429  -.0199 .6813 .0134
S2   .2107  -.0318 .1326 .0130
S3   .2417   .2315 .6195 .0167
S4   .1043   .2224 .0585 .0119
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Realgar
Download hom/realgar.pdf
Ito T, Morimoto N, Sadanaga R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=5&spage=775
Acta Crystallographica 5 (1952) 775-782
The crystal structure of realgar
Locality: Saimoko, Japan
_database_code_amcsd 0009149
9.27 13.50 6.56 90 106.62 90 P2_1/n
atom    x     y     z Biso
As1  .118  .024 -.241  1.3
As2  .425 -.140 -.142  1.3
As3  .318 -.127  .181  1.3
As4  .038 -.161 -.290  1.3
S1   .346  .008 -.295  1.3
S2   .213  .024  .120  1.3
S3   .245 -.225 -.363  1.3
S4   .115 -.215  .048  1.3
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Realgar
Download hom/realgar.pdf
Mullen D J E, Nowacki W
Download zk/vol136/ZK136_48.pdf
Zeitschrift fur Kristallographie 136 (1972) 48-65
Refinement of the crystal structures of realgar, AsS and orpiment, As2S3
Locality: Lengenbach quarry, Binnatal, Switzerland
_database_code_amcsd 0010732
9.325 13.571 6.587 90 106.38 90 P2_1/n
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)