American Mineralogist Crystal Structure Database

59 matching records for this search.

Anorthite
Download hom/anorthite.pdf
Angel R J, Carpenter M A, Finger L W
Download am/vol75/AM75_150.pdf
American Mineralogist 75 (1990) 150-162
Structural variation associated with compositional variation and order-disorder
behavior in anorthite-rich feldspars
Locality: Val Pasmeda, Austria
_database_code_amcsd 0001286
8.175 12.873 14.170 93.11 115.89 91.28 P-1
atom        x      y       z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Caooo  .26523 .98609  .08693 .00327 .00297 .00157 -.00017  .00086 -.00079
Cazoo  .26832 .03126  .54304 .00303 .00159 .00118  .00060  .00056 -.00003
Caoio  .77351 .53587  .54123 .00277 .00150 .00119  .00054  .00039 -.00019
Cazio  .76369 .50512  .07510 .00228 .00314 .00231  .00071  .00034 -.00147
Si1ooo .00904 .15894  .10386 .00200 .00083 .00077 -.00035  .00049 -.00003
Si1ooi .50665 .65605  .60445 .00292 .00087 .00092 -.00022  .00070  .00003
Al1ozo .00690 .16089  .61115 .00258 .00085 .00093  .00016  .00077  .00021
Al1ozi .49879 .66603  .11286 .00344 .00090 .00064  .00006  .00079 -.00001
Al1moo .99092 .81531  .11757 .00186 .00113 .00083  .00019  .00057  .00009
Al1moi .50825 .31457  .62136 .00247 .00075 .00072  .00045  .00035  .00003
Si1mzo .00575 .81526  .61320 .00255 .00108 .00054  .00009  .00033  .00003
Si1mzi .50496 .32029  .11026 .00303 .00095 .00086  .00036  .00085  .00004
Al2ooo .68435 .11315  .15122 .00234 .00091 .00083 -.00003  .00045 -.00007
Al2ooi .19100 .61115  .66770 .00223 .00082 .00091 -.00016  .00050  .00007
Si2ozo .68169 .10345  .66468 .00198 .00073 .00089  .00018  .00037 -.00003
Si2ozi .17068 .60668  .14905 .00221 .00076 .00097 -.00019  .00048  .00006
Si2moo .67389 .88291  .18770 .00268 .00095 .00081  .00015  .00069  .00003
Si2moi .17613 .37932  .67334 .00225 .00068 .00090  .00016  .00059  .00002
Al2mzo .68138 .87158  .67242 .00245 .00072 .00085  .00029  .00045  .00009
Al2mzi .18553 .37759  .18164 .00200 .00065 .00089  .00019  .00035  .00014
Oa1oo  .02635 .12457 -.00428 .00535 .00122 .00093  .00008  .00157  .00009
Oa1oi  .48603 .62359  .48586 .00506 .00142 .00059  .00049  .00078  .00013
Oa1zo  .98113 .12562  .48359 .00443 .00120 .00095  .00054  .00128  .00020
Oa1zi  .51786 .62378  .99651 .00443 .00137 .00093  .00010  .00076  .00016
Oa2oo  .57574 .99057  .14338 .00204 .00060 .00155  .00072  .00018  .00044
Oa2oi  .07210 .48813  .63456 .00255 .00066 .00169  .00000  .00088  .00009
Oa2zo  .57228 .98916  .63698 .00248 .00074 .00152  .00041 -.00002  .00018
Oa2zi  .07158 .49243  .13830 .00294 .00045 .00208 -.00039  .00156  .00002
Obooo  .81332 .10161  .07982 .00361 .00127 .00106 -.00045  .00071 -.00014
Obooi  .33309 .59521  .60532 .00333 .00125 .00150 -.00011  .00148 -.00008
Obozo  .81173 .09671  .60573 .00340 .00138 .00100 -.00123  .00078 -.00023
Obozi  .28569 .60336  .07915 .00439 .00140 .00184 -.00024  .00184 -.00018
Obmoo  .81766 .85491  .14437 .00305 .00273 .00206  .00112  .00174  .00000
Obmoi  .29842 .35545  .61105 .00385 .00132 .00119  .00050  .00107  .00008
Obmzo  .81051 .85210  .60254 .00273 .00164 .00146  .00031  .00087  .00033
Obmzi  .34213 .35770  .13423 .00516 .00217 .00218  .00091  .00197 -.00016
Ocooo  .01512 .27924  .13539 .00612 .00094 .00199 -.00025  .00198  .00003
Ocooi  .50954 .77721  .63499 .00281 .00137 .00163 -.00029  .00096 -.00026
Ocozo  .02009 .28987  .64767 .00578 .00113 .00194 -.00025  .00189 -.00013
Ocozi  .50873 .79649  .14990 .00397 .00089 .00163 -.00029  .00102 -.00005
Ocmoo  .00000 .67999  .10383 .00196 .00144 .00136  .00032  .00028 -.00018
Ocmoi  .51681 .17933  .61037 .00426 .00034 .00137 -.00011  .00043 -.00005
Ocmzo  .00842 .68854  .60059 .00337 .00113 .00093  .00045  .00051  .00028
Ocmzi  .50708 .19585  .09759 .00464 .00066 .00194  .00033  .00067 -.00014
Odooo  .18316 .10620  .19221 .00386 .00168 .00080  .00082  .00038 -.00003
Odooi  .70057 .60747  .67826 .00240 .00213 .00107  .00026  .00007  .00004
Odozo  .21355 .10335  .68352 .00306 .00117 .00094  .00017  .00024 -.00009
Odozi  .68942 .60354  .20053 .00356 .00149 .00080  .00055 -.00004  .00034
Odmoo  .20373 .87344  .20979 .00209 .00177 .00061  .00005 -.00032 -.00015
Odmoi  .68899 .36361  .73272 .00472 .00167 .00119  .00029 -.00042  .00011
Odmzo  .17272 .85643  .71921 .00491 .00192 .00069 -.00040 -.00037 -.00030
Odmzi  .70014 .37048  .19680 .00446 .00159 .00073  .00013  .00016 -.00012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Angel R J, Carpenter M A, Finger L W
Download am/vol75/AM75_150.pdf
American Mineralogist 75 (1990) 150-162
Structural variation associated with compositional variation and order-disorder
behavior in anorthite-rich feldspars
Locality: Monte Somma, Italy
_database_code_amcsd 0001287
8.1796 12.8747 14.172 93.134 115.885 91.236 P-1
atom        x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Caooo   .2659  .9867  .0864  .0026  .0031  .0015  -.0002   .0007  -.0008
Cazoo   .2683  .0310  .5432  .0027  .0019  .0013   .0008   .0006  -.0002
Caoio   .7736  .5353  .5421  .0019  .0014  .0012   .0005   .0002  -.0003
Cazio   .7639  .5073  .0726  .0016  .0041  .0028   .0009  -.0002  -.0027
Si1ooo .00943 .15921 .10431 .00239 .00070 .00096  .00023  .00112  .00007
Si1ooi .50642 .65607 .60405 .00205 .00074 .00041 -.00034  .00019  .00001
Al1ozo .00686 .16144 .61159 .00204 .00050 .00110 -.00006  .00131 -.00008
Al1ozi .49873 .66584 .11241 .00158 .00104 .00023 -.00011 -.00018  .00001
Al1moo .99183 .81512 .11768 .00185 .00102 .00054  .00000  .00056 -.00001
Al1moi .50729 .31446 .62106 .00189 .00049 .00060  .00041  .00038  .00000
Si1mzo .00562 .81555 .61318 .00236 .00091 .00048  .00036  .00048  .00014
Si1mzi .50475 .31999 .11010 .00195 .00061 .00065  .00061  .00048 -.00001
Al2ooo .68550 .11328 .15213 .00252 .00065 .00076 -.00004  .00048 -.00002
Al2ooi .19092 .61128 .66670 .00130 .00066 .00075  .00028  .00045  .00003
Si2ozo .68167 .10381 .66452 .00184 .00058 .00080 -.00009  .00020  .00003
Si2ozi .17104 .60662 .14988 .00103 .00066 .00073 -.00014  .00034 -.00014
Si2moo .67387 .88314 .18747 .00140 .00061 .00083  .00033  .00067  .00000
Si2moi .17684 .37946 .67384 .00153 .00052 .00066  .00027  .00049 -.00002
Al2mzo .68135 .87236 .67340 .00220 .00082 .00067  .00032 -.00003  .00019
Al2mzi .18644 .37727 .18105 .00149  .0007 .00078  .00011   .0007  .00007
Oa1oo   .0242  .1242 -.0051  .0050  .0013  .0011   .0002   .0015   .0002
Oa1oi   .4912  .6251  .4870  .0020  .0015  .0004   .0003   .0003  -.0001
Oa1zo   .9797  .1252  .4832  .0050  .0007  .0011   .0009   .0012   .0003
Oa1zi   .5176  .6249  .9968  .0030  .0015  .0002  -.0008   .0005  -.0003
Oa2oo   .5760  .9902  .1426  .0020  .0002  .0012   .0005   .0003   .0004
Oa2oi   .0730  .4881  .6345  .0010  .0012  .0014  -.0006  -.0003  -.0002
Oa2zo   .5728  .9893  .6373  .0020  .0003  .0014   .0012   .0004   .0005
Oa2zi   .0726  .4924  .1391  .0020  .0012  .0018   .0007   .0010   .0000
Obooo   .8143  .1011  .0803  .0040  .0011  .0013  -.0003   .0011  -.0005
Obooi   .3305  .5964  .6034  .0050  .0009  .0018   .0000   .0026  -.0002
Obozo   .8120  .0975  .6058  .0020  .0010  .0012  -.0004   .0010  -.0005
Obozi   .2871  .6039  .0811  .0026  .0016  .0016  -.0008   .0015  -.0001
Obmoo   .8171  .8548  .1424  .0040  .0019  .0028  -.0001   .0034  -.0003
Obmoi   .2984  .3563  .6116  .0050  .0015  .0013   .0004   .0018  -.0004
Obmzo   .8111  .8523  .6041  .0020  .0017  .0012   .0013   .0014   .0006
Obmzi   .3414  .3582  .1323  .0050  .0023  .0029   .0011   .0027  -.0002
Ocooo   .0164  .2801  .1368  .0050  .0007  .0016  -.0001   .0016   .0002
Ocooi   .5084  .7768  .6344  .0020  .0005  .0013  -.0012   .0002  -.0008
Ocozo   .0201  .2899  .6477  .0058  .0011  .0019  -.0002   .0019  -.0001
Ocozi   .5087  .7965  .1499  .0040  .0009  .0016  -.0003   .0010  -.0001
Ocmoo   .0000  .6800  .1038  .0020  .0014  .0014   .0003   .0003  -.0002
Ocmoi   .5168  .1793  .6104  .0043  .0003  .0014  -.0001   .0004  -.0001
Ocmzo   .0084  .6885  .6006  .0034  .0011  .0009   .0005   .0005   .0003
Ocmzi   .5071  .1959  .0976  .0046  .0007  .0019   .0003   .0007  -.0001
Odooo   .1832  .1062  .1922  .0039  .0017  .0008   .0008   .0004   .0000
Odooi   .7012  .6079  .6800  .0020  .0013  .0012   .0008   .0000   .0002
Odozo   .2136  .1025  .6840  .0050  .0018  .0005   .0003   .0010  -.0002
Odozi   .6935  .6043  .2013  .0050  .0012  .0007   .0007   .0007   .0002
Odmoo   .2038  .8732  .2108  .0020  .0014  .0010   .0001  -.0004  -.0008
Odmoi   .6900  .3636  .7317  .0050  .0022  .0011   .0001   .0000   .0000
Odmzo   .1742  .8569  .7183  .0030  .0016  .0007  -.0002  -.0013  -.0003
Odmzi   .6992  .3692  .1983  .0030  .0020  .0012   .0004  -.0004  -.0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Angel R J, Carpenter M A, Finger L W
Download am/vol75/AM75_150.pdf
American Mineralogist 75 (1990) 150-162
Structural variation associated with compositional variation and order-disorder
behavior in anorthite-rich feldspars
Locality: Monte Somma, Italy
_database_code_amcsd 0001288
8.1796 12.8747 14.172 93.134 115.885 91.236 I-1
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Caooo .2659  .9861  .0869  .5  .0020  .0029  .0015 -.0002  .0007 -.0009
Cazoo .2681  .0304  .5450  .5  .0020  .0017  .0013  .0008  .0001 -.0003
Caoio .7735  .5353  .5422  .5  .0023  .0015  .0013  .0006  .0004 -.0002
Cazio .7637  .5030  .0770  .5  .0026  .0023  .0011  .0006  .0002 -.0007
Si1oo .0080  .1577  .1042      .0025  .0009  .0007  .0000  .0007  .0000
Al1oz .0028  .1635  .6119      .0024  .0009  .0008 -.0002  .0007 -.0000
Al1mo .0004  .8148  .1194      .0034  .0008  .0007  .0002  .0008  .0000
Si1mz .0052  .8178  .6116      .0024  .0009  .0007  .0005  .0005  .0000
Al2oo .6882  .1123  .1595      .0022  .0008  .0019  .0001  .0009 -.0001
Si2oz .6764  .1052  .6572      .0022  .0007  .0020 -.0003  .0012 -.0003
Si2mo .6754  .8813  .1806      .0018  .0007  .0018  .0003  .0005  .0003
Al2mz .6838  .8749  .6772      .0021  .0009  .0011  .0004  .0005  .0003
Oa1o  .0071  .1244 -.0094      .0101  .0015  .0010 -.0002  .0023 -.0001
Oa1z  .0011  .1253  .4902      .0114  .0012  .0018  .0001  .0036 -.0000
Oa2o  .5743  .9893  .1391      .0016  .0009  .0016  .0001  .0003  .0003
Oa2z  .5728 -.0094  .6382      .0020  .0008  .0016  .0008  .0007  .0002
Oboo  .8226  .0988  .0922      .0053  .0010  .0047 -.0007  .0039 -.0010
Oboz  .7994  .1005  .5934      .0059  .0016  .0047 -.0015  .0044 -.0012
Obmo  .8072  .8555  .1266      .0071  .0018  .0083  .0000  .0065 -.0009
Obmz  .8247  .8553  .6170      .0081  .0022  .0060  .0022  .0062  .0012
Ocoo  .0124  .2783  .1356      .0035  .0008  .0015 -.0003  .0009 -.0003
Ocoz  .0141  .2935  .6485      .0050  .0008  .0021 -.0008  .0015 -.0004
Ocmo  .0076  .6800  .1072      .0049  .0008  .0018  .0004  .0012  .0001
Ocmz  .0083  .6921  .6001      .0038  .0013  .0012  .0004  .0004 -.0004
Odoo  .1919  .1066  .1855      .0038  .0017  .0017  .0012 -.0013 -.0000
Odoz  .2042  .1034  .6926      .0073  .0014  .0023  .0003 -.0013  .0003
Odmo  .1973  .8684  .2207      .0040  .0024  .0038  .0007 -.0019 -.0016
Odmz  .1864  .8629  .7083      .0070  .0029  .0035  .0022 -.0042 -.0020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Anorthite
Download hom/anorthite.pdf
Angel R J, Carpenter M A, Finger L W
Download am/vol75/AM75_150.pdf
American Mineralogist 75 (1990) 150-162
Structural variation associated with compositional variation and order-disorder
behavior in anorthite-rich feldspars
sample #115082a
Locality: South of Blantyre, Nyasalad (Malawi)
_database_code_amcsd 0001289
8.178 12.870 14.175 93.17 115.97 91.15 I-1
atom       x     y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Caooo  .2658 .9859  .0865  .5  .0036  .0038  .0019 -.0002  .0013 -.0011
Cazoo  .2681 .0301  .5459  .5  .0033  .0020  .0016  .0007  .0007 -.0003
Caoio  .7737 .5350  .5429  .5  .0034  .0020  .0015  .0009  .0007 -.0003
Cazio  .7636 .5020  .0770  .5  .0029  .0025  .0017  .0006  .0010 -.0006
Si1oo  .0078 .1580  .1042      .0027  .0010  .0008 -.0001  .0008  .0001
Al1oz  .0025 .1642  .6119      .0028  .0010  .0008 -.0002  .0008  .0000
Al1mo -.0001 .8151  .1194      .0038  .0010  .0008  .0005  .0011  .0001
Si1mz  .0054 .8176  .6120      .0029  .0010  .0008  .0005  .0007  .0001
Al2oo  .6879 .1120  .1588      .0025  .0008  .0019  .0001  .0010  .0000
Si2oz  .6765 .1054  .6577      .0026  .0009  .0018  .0000  .0012 -.0002
Si2mo  .6760 .8815  .1813      .0025  .0009  .0017  .0003  .0006  .0003
Al2mz  .6831 .8748  .6766      .0029  .0009  .0012  .0004  .0011  .0003
Oa1o   .0076 .1247 -.0087      .0110  .0018  .0011  .0009  .0027  .0002
Oa1z  -.0035 .1248  .4893      .0115  .0015  .0016  .0002  .0036  .0001
Oa2o   .5756 .9901  .1396      .0035  .0010  .0018  .0004  .0012  .0003
Oa2z   .5717 .9910  .6376      .0019  .0009  .0016  .0002  .0007  .0002
Oboo   .8216 .0994  .0910      .0052  .0015  .0043 -.0009  .0038 -.0007
Oboz   .7994 .1006  .5936      .0071  .0015  .0051 -.0008  .0053 -.0009
Obmo   .8088 .8549  .1282      .0061  .0021  .0074  .0005  .0052 -.0005
Obmz   .8224 .8550  .6153      .0083  .0024  .0062  .0013  .0062  .0007
Ocoo   .0120 .2787  .1353      .0051  .0009  .0021 -.0004  .0018 -.0004
Ocoz   .0144 .2941  .6484      .0045  .0013  .0019 -.0004  .0014 -.0001
Ocmo   .0076 .6799  .1073      .0047  .0010  .0016  .0008  .0011  .0002
Ocmz   .0078 .6920  .5995      .0059  .0012  .0015  .0005  .0010  .0000
Odoo   .1910 .1065  .1869      .0046  .0017  .0019  .0007 -.0004  .0002
Odoz   .2029 .1035  .6915      .0063  .0016  .0024  .0005 -.0010  .0003
Odmo   .1976 .8685  .2193      .0040  .0022  .0033  .0007 -.0018 -.0010
Odmz   .1854 .8625  .7105      .0088  .0027  .0036  .0018 -.0020 -.0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Cellai D, Bonazzi P, Carpenter M A
Download am/vol82/AM82_276.pdf
American Mineralogist 82 (1997) 276-279
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
_database_code_amcsd 0001874
5.157 5.157 8.706 90 90 120 P31c
atom    x    y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K       0    0   .25  .0154  .0154  .0187  .0077      0      0
Al1   1/3  2/3 .0594  .0013  .0013  .0112 .00065      0      0
Si2   1/3  2/3 .4416  .0104  .0104  .0058  .0052      0      0
O1   .616 .011  .000   .009   .009   .031   .003   .006   .004
O2    1/3  2/3  .260   .036   .036   .004   .018      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Cellai D, Gesing T M, Wruck B, Carpenter M A
Download am/vol84/AM84_1950.pdf
American Mineralogist 84 (1999) 1950-1955
X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite
_database_code_amcsd 0002336
5.1627 5.1627 8.706 90 90 120 P6_3
atom     x     y    z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .25  .0174  .0174  .0194  .0087      0      0
Al     1/3   2/3 .061  .0086  .0086   .011  .0043      0      0
Si     1/3   2/3 .443  .0081  .0081   .007 .00405      0      0
O1     1/3   2/3 .241   .052   .052   .005   .026      0      0
O2   .6027 .0119 .997   .011   .012   .036   .006   .003   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1997-1 SE-India
_database_code_amcsd 0002605
17.0568 9.7154 9.3472 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33743       0    .25 .992 .00625 .00522 .00607 .00745       0       0 -.00008
FeM        .33743       0    .25 .008 .00625 .00522 .00607 .00745       0       0 -.00008
AlT11         .25     .25 .25015 .991 .00553 .00656 .00502 .00499  .00136       0       0
FeT11         .25     .25 .25015 .009 .00553 .00656 .00502 .00499  .00136       0       0
SiT16           0      .5    .25      .00448 .00371 .00561 .00412       0       0       0
SiT21      .19266  .07779      0      .00405 .00428 .00351 .00436  .00028       0       0
SiT23      .13516 -.23754      0      .00414 .00377 .00421 .00444 -.00059       0       0
AlT26      .05091  .30795      0      .00440 .00358 .00488 .00472  .00051       0       0
O11        .24743 -.10271 .35880      .00722 .00886 .00655 .00625 -.00073  .00279 -.00107
O16        .06242 -.41629 .34900      .00711 .00573 .00903 .00657 -.00088  .00020 -.00312
O13       -.17328 -.31056 .35852      .00731 .00789 .00773 .00630  .00127 -.00202 -.00221
O26        .04309 -.24797      0      .01146 .00437 .01486 .01515 -.00198       0       0
O21        .12243  .18464      0      .01089 .00839 .00916 .01514  .00508       0       0
O23        .16455 -.07972      0      .01064 .01244 .00471 .01477 -.00266       0       0
WatCh1          0       0    .25  .54   .193   .362   .134   .084       0       0       0
NaCh2           0       0      0 .044   .029   .017   .025   .046    .003       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 126231 Tanzania
_database_code_amcsd 0002606
17.0645 9.7281 9.3515 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33736       0    .25 .917 .00639 .00543 .00592 .00782       0       0 -.00016
FeM        .33736       0    .25 .083 .00639 .00543 .00592 .00782       0       0 -.00016
AlT11         .25     .25 .25020 .985 .00585 .00694 .00534 .00529  .00145       0       0
FeT11         .25     .25 .25020 .015 .00585 .00694 .00534 .00529  .00145       0       0
SiT16           0      .5    .25 .992 .00492 .00428 .00596 .00450       0       0       0
FeT16           0      .5    .25 .008 .00492 .00428 .00596 .00450       0       0       0
SiT21      .19258  .07786      0      .00421 .00451 .00355 .00457  .00025       0       0
SiT23      .13513 -.23727      0      .00435 .00395 .00443 .00467 -.00055       0       0
AlT26      .05091  .30800      0      .00453 .00388 .00489 .00481  .00046       0       0
O11        .24727 -.10284 .35879      .00783 .00980 .00692 .00676 -.00046  .00322 -.00096
O16        .06223 -.41618 .34898      .00748 .00634 .00913 .00696 -.00072  .00027 -.00314
O13       -.17310 -.31010 .35851      .00800 .00805 .00859 .00735  .00131 -.00190 -.00240
O26        .04303 -.24727      0      .01158 .00442 .01468 .01565 -.00236       0       0
O21        .12227  .18445      0      .01156 .00934 .00969 .01564  .00528       0       0
O23        .16444 -.07961      0      .01104 .01240 .00450 .01620 -.00292       0       0
WatCh1          0       0    .25  .38   .161
NaCh2           0       0      0 .084   .038   .038   .022   .053       0       0       0
CCh1c           0       0    .25 .192   .031
OCh1x      .05953       0    .25 .192   .082
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Zimbabwe
_database_code_amcsd 0002607
17.0807 9.7307 9.3427 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33745       0    .25 .876 .00657 .00575 .00559 .00837       0       0 -.00009
FeM        .33745       0    .25 .124 .00657 .00575 .00559 .00837       0       0 -.00009
AlT11         .25     .25 .25012 .982 .00600 .00738 .00503 .00560  .00127       0       0
FeT11         .25     .25 .25012 .018 .00600 .00738 .00503 .00560  .00127       0       0
SiT16           0      .5    .25      .00470 .00434 .00526 .00448       0       0       0
SiT21      .19236  .07792      0      .00428 .00476 .00317 .00492  .00015       0       0
SiT23      .13511 -.23720      0      .00436 .00416 .00385 .00506 -.00064       0       0
AlT26      .05075  .30775      0      .00453 .00416 .00446 .00496  .00045       0       0
O11        .24702 -.10287 .35867      .00782 .01023 .00631 .00693 -.00084  .00305 -.00113
O16        .06219 -.41604 .34894      .00748 .00687 .00863 .00695 -.00100  .00019 -.00318
O13       -.17324 -.30991 .35840      .00773 .00830 .00791 .00700  .00123 -.00196 -.00236
O26        .04317 -.24805      0      .01142 .00459 .01426 .01542 -.00204       0       0
O21        .12222  .18444      0      .01126 .00924 .00928 .01526  .00504       0       0
O23        .16426 -.07955      0      .01093 .01268 .00471 .01542 -.00320       0       0
WatCh1          0       0    .25  .39   .161   .298   .133   .052       0       0       0
NaCh2           0       0      0 .052   .025   .021   .010   .044   -.003       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1960728, Orijarvi, Finland
_database_code_amcsd 0002608
17.0994 9.7358 9.3360 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33750       0    .25 .802 .00647 .00534 .00578 .00830       0       0 -.00006
FeM        .33750       0    .25 .198 .00647 .00534 .00578 .00830       0       0 -.00006
AlT11         .25     .25 .25009 .986 .00589 .00701 .00551 .00516  .00129       0       0
FeT11         .25     .25 .25009 .014 .00589 .00701 .00551 .00516  .00129       0       0
SiT16           0      .5    .25      .00483 .00427 .00568 .00456       0       0       0
SiT21      .19217  .07803      0      .00431 .00448 .00364 .00481  .00034       0       0
SiT23      .13511 -.23680      0      .00436 .00385 .00446 .00477 -.00062       0       0
AlT26      .05062  .30761      0      .00460 .00390 .00473 .00518  .00048       0       0
O11        .24680 -.10308 .35863      .00768 .00961 .00668 .00675 -.00057  .00306 -.00109
O16        .06207 -.41588 .34889      .00767 .00641 .00900 .00759 -.00123  .00053 -.00326
O13       -.17331 -.30949 .35834      .00768 .00797 .00850 .00659  .00141 -.00186 -.00213
O26        .04329 -.24819      0      .01161 .00400 .01531 .01552 -.00219       0       0
O21        .12211  .18473      0      .01148 .00873 .00923 .01647  .00520       0       0
O23        .16429 -.07925      0      .01124 .01282 .00443 .01646 -.00260       0       0
WatCh1          0       0    .25  .50   .246   .599   .094   .045       0       0       0
NaCh2           0       0      0 .046   .039   .027   .032   .058    .007       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 85131, Mt Bity, Madagaskar
_database_code_amcsd 0002609
17.0987 9.7388 9.3347 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33746       0    .25 .807 .00652 .00541 .00571 .00843       0       0 -.00003
FeM        .33746       0    .25 .193 .00652 .00541 .00571 .00843       0       0 -.00003
AlT11         .25     .25 .25009 .981 .00610 .00722 .00557 .00550  .00132       0       0
FeT11         .25     .25 .25009 .019 .00610 .00722 .00557 .00550  .00132       0       0
SiT16           0      .5    .25 .992 .00498 .00449 .00574 .00469       0       0       0
FeT16           0      .5    .25 .008 .00498 .00449 .00574 .00469       0       0       0
SiT21      .19213  .07807      0      .00426 .00444 .00343 .00491  .00022       0       0
SiT23      .13511 -.23686      0      .00433 .00378 .00431 .00491 -.00060       0       0
AlT26      .05064  .30764      0      .00455 .00384 .00477 .00503  .00057       0       0
O11        .24677 -.10308 .35865      .00781 .00994 .00659 .00690 -.00061  .00318 -.00100
O16        .06208 -.41594 .34889      .00768 .00671 .00907 .00725 -.00127  .00034 -.00338
O13       -.17326 -.30947 .35835      .00776 .00818 .00812 .00699  .00133 -.00207 -.00238
O26        .04321 -.24788      0      .01167 .00412 .01461 .01629 -.00206       0       0
O21        .12197  .18448      0      .01145 .00902 .00926 .01608  .00543       0       0
O23        .16417 -.07919      0      .01105 .01252 .00480 .01581 -.00288       0       0
WatCh1          0       0    .25  .55   .195   .359   .154   .071       0       0       0
NaCh2           0       0      0 .056   .037   .051   .016   .044   -.001       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: g13994, Dolny Bory , Czech Republic
_database_code_amcsd 0002610
17.2232 9.8261 9.2989 90 90 90 Cccm
atom            x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM        .33698       0    .25 .077 .00741 .00592 .00639 .00991       0       0 -.00012
FeM        .33698       0    .25 .888 .00741 .00592 .00639 .00991       0       0 -.00012
LiM        .33698       0    .25 .035 .00741 .00592 .00639 .00991       0       0 -.00012
AlT11         .25     .25 .25007 .984 .00688 .00783 .00652 .00628  .00109       0       0
FeT11         .25     .25 .25007 .016 .00688 .00783 .00652 .00628  .00109       0       0
SiT16           0      .5    .25 .995 .00582 .00516 .00662 .00569       0       0       0
FeT16           0      .5    .25 .005 .00582 .00516 .00662 .00569       0       0       0
SiT21      .19001  .07904      0      .00482 .00496 .00369 .00579  .00020       0       0
SiT23      .13473 -.23442      0      .00499 .00413 .00495 .00588 -.00057       0       0
AlT26      .04982  .30742      0      .00521 .00422 .00550 .00592  .00074       0       0
O11        .24419 -.10452 .35794      .00863 .01087 .00734 .00767 -.00070  .00259 -.00097
O16        .06097 -.41472 .34885      .00876 .00756 .01013 .00860 -.00108  .00066 -.00378
O13       -.17306 -.30569 .35772      .00890 .00898 .00967 .00805  .00173 -.00210 -.00195
O26        .04325 -.24690      0      .01325 .00514 .01685 .01778 -.00246       0       0
O21        .11960  .18377      0      .01295 .01000 .01069 .01817  .00668       0       0
O23        .16227 -.07697      0      .01283 .01451 .00531 .01868 -.00327       0       0
WatCh1          0       0    .25  .43   .078   .129   .057   .047       0       0       0
NaCh2           0       0      0 .162   .026   .027   .011   .040   -.001       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1997-1 SE-India, T = 900 C, t = 24 h, in air
_database_code_amcsd 0002611
17.071 9.717 9.3479 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33748       0    .25 .988 .00620 .00553 .00583 .00723       0       0 -.00005
FeM    .33748       0    .25 .012 .00620 .00553 .00583 .00723       0       0 -.00005
AlT11     .25     .25 .25011 .988 .00525 .00645 .00477 .00454  .00143       0       0
FeT11     .25     .25 .25011 .012 .00525 .00645 .00477 .00454  .00143       0       0
SiT16       0      .5    .25 .994 .00438 .00389 .00539 .00386       0       0       0
FeT16       0      .5    .25 .006 .00438 .00389 .00539 .00386       0       0       0
SiT21  .19262  .07779      0      .00376 .00420 .00319 .00389  .00015       0       0
SiT23  .13516 -.23764      0      .00385 .00380 .00386 .00389 -.00056       0       0
AlT26  .05083  .30787      0      .00403 .00346 .00450 .00412  .00045       0       0
O11    .24734 -.10261 .35881      .00700 .00862 .00636 .00601 -.00064  .00274 -.00101
O16    .06241 -.41623 .34899      .00679 .00579 .00850 .00610 -.00076  .00014 -.00307
O13   -.17334 -.31051 .35846      .00703 .00782 .00728 .00600  .00132 -.00183 -.00222
O26    .04329 -.24896      0      .01068 .00446 .01368 .01391 -.00173       0       0
O21    .12251  .18478      0      .01048 .00807 .00902 .01434  .00508       0       0
O23    .16447 -.07972      0      .01032 .01155 .00438 .01502 -.00290       0       0
NaCh2       0       0      0 .067   .124   .061   .047   .263   -.007       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample:126231 Tanzania, T = 900 C, t = 24h
_database_code_amcsd 0002612
17.089 9.729 9.350 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33750       0    .25 .908 .00648 .00540 .00611 .00793       0       0 -.00006
FeM    .33750       0    .25 .092 .00648 .00540 .00611 .00793       0       0 -.00006
AlT11     .25     .25 .25014 .988 .00580 .00670 .00535 .00535  .00131       0       0
FeT11     .25     .25 .25014 .012 .00580 .00670 .00535 .00535  .00131       0       0
SiT16       0      .5    .25      .00468 .00400 .00567 .00437       0       0       0
SiT21  .19241  .07782      0      .00419 .00441 .00368 .00449  .00023       0       0
SiT23  .13509 -.23748      0      .00427 .00377 .00443 .00460 -.00061       0       0
AlT26  .05078  .30787      0      .00452 .00375 .00500 .00479  .00057       0       0
O11    .24706 -.10275 .35876      .00777 .00958 .00707 .00666 -.00055  .00302 -.00077
O16    .06229 -.41607 .34893      .00745 .00620 .00912 .00703 -.00095  .00024 -.00316
O13   -.17325 -.31013 .35842      .00779 .00792 .00847 .00698  .00127 -.00208 -.00236
O26    .04320 -.24863      0      .01139 .00439 .01494 .01484 -.00221       0       0
O21    .12219  .18450      0      .01137 .00940 .00971 .01499  .00563       0       0
O23    .16419 -.07953      0      .01107 .01253 .00486 .01582 -.00307       0       0
NaCh2       0       0      0 .086   .066   .051   .019   .128       0       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Zimbabwe, T = 900 C, t = 24h
_database_code_amcsd 0002613
17.096 9.729 9.342 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33748       0    .25 .875 .00678 .00577 .00613 .00845       0       0 -.00005
FeM    .33748       0    .25 .125 .00678 .00577 .00613 .00845       0       0 -.00005
AlT11     .25     .25 .25010 .992 .00599 .00705 .00535 .00557  .00109       0       0
FeT11     .25     .25 .25010 .008 .00599 .00705 .00535 .00557  .00109       0       0
SiT16       0      .5    .25      .00505 .00445 .00583 .00485       0       0       0
SiT21  .19230  .07793      0      .00452 .00485 .00374 .00496  .00013       0       0
SiT23  .13508 -.23728      0      .00458 .00412 .00452 .00511 -.00066       0       0
AlT26  .05070  .30776      0      .00480 .00415 .00506 .00520  .00055       0       0
O11    .24692 -.10287 .35864      .00804 .01004 .00697 .00712 -.00056  .00295 -.00089
O16    .06223 -.41597 .34892      .00770 .00654 .00914 .00742 -.00100  .00020 -.00321
O13   -.17333 -.30993 .35840      .00806 .00815 .00864 .00738  .00122 -.00198 -.00233
O26    .04327 -.24890      0      .01181 .00482 .01511 .01550 -.00210       0       0
O21    .12214  .18465      0      .01157 .00947 .00961 .01564  .00524       0       0
O23    .16414 -.07939      0      .01133 .01299 .00505 .01596 -.00297       0       0
NaCh2       0       0      0 .074   .083   .058   .019   .171    .002       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 85131, Mt. Bity, Madagaskar, T = 900 C, t = 24 h
_database_code_amcsd 0002614
17.1135 9.7359 9.3330 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33754       0    .25 .810 .00665 .00529 .00583 .00883       0       0 -.00007
FeM    .33754       0    .25 .190 .00665 .00529 .00583 .00883       0       0 -.00007
AlT11     .25     .25 .25009 .988 .00603 .00679 .00547 .00583  .00110       0       0
FeT11     .25     .25 .25009 .012 .00603 .00679 .00547 .00583  .00110       0       0
SiT16       0      .5    .25      .00498 .00446 .00556 .00491       0       0       0
SiT21  .19202  .07808      0      .00445 .00460 .00341 .00536  .00023       0       0
SiT23  .13512 -.23696      0      .00453 .00379 .00429 .00550 -.00069       0       0
AlT26  .05050  .30757      0      .00468 .00388 .00466 .00549  .00055       0       0
O11    .24663 -.10299 .35858      .00788 .00981 .00661 .00722 -.00081  .00297 -.00070
O16    .06211 -.41584 .34883      .00781 .00660 .00914 .00769 -.00090  .00007 -.00335
O13   -.17333 -.30942 .35828      .00805 .00814 .00844 .00757  .00142 -.00212 -.00216
O26    .04344 -.24918      0      .01148 .00440 .01414 .01591 -.00190       0       0
O21    .12205  .18480      0      .01152 .00932 .00952 .01572  .00541       0       0
O23    .16401 -.07922      0      .01139 .01268 .00504 .01644 -.00301       0       0
NaCh2       0       0      0 .052   .083   .039   .016   .193    .008       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h
_database_code_amcsd 0002615
17.119 9.735 9.334 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33754       0    .25 .791 .00663 .00556 .00583 .00851       0       0 -.00010
FeM    .33754       0    .25 .209 .00663 .00556 .00583 .00851       0       0 -.00010
AlT11     .25     .25 .25007 .987 .00593 .00688 .00542 .00548  .00128       0       0
FeT11     .25     .25 .25007 .013 .00593 .00688 .00542 .00548  .00128       0       0
SiT16       0      .5    .25 .991 .00523 .00490 .00585 .00493       0       0       0
FeT16       0      .5    .25 .009 .00523 .00490 .00585 .00493       0       0       0
SiT21  .19202  .07809      0      .00431 .00439 .00352 .00503  .00019       0       0
SiT23  .13506 -.23699      0      .00444 .00396 .00431 .00505 -.00065       0       0
AlT26  .05054  .30758      0      .00462 .00387 .00491 .00507  .00072       0       0
O11    .24663 -.10297 .35844      .00778 .00960 .00669 .00705 -.00072  .00285 -.00101
O16    .06210 -.41591 .34889      .00770 .00663 .00902 .00745 -.00124  .00022 -.00324
O13   -.17335 -.30947 .35823      .00771 .00786 .00809 .00720  .00128 -.00202 -.00224
O26    .04345 -.24929      0      .01136 .00438 .01457 .01513 -.00166       0       0
O21    .12212  .18498      0      .01142 .00891 .00956 .01579  .00495       0       0
O23    .16405 -.07917      0      .01092 .01250 .00473 .01554 -.00299       0       0
NaCh2       0       0      0 .038   .182   .077   .027   .444   -.005       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: Great Bear Lake, T = 900 C, t = 24 h
_database_code_amcsd 0002616
17.132 9.744 9.330 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33757       0    .25 .725 .00649 .00515 .00551 .00881       0       0 -.00006
FeM    .33757       0    .25 .275 .00649 .00515 .00551 .00881       0       0 -.00006
AlT11     .25     .25 .25004 .988 .00593 .00693 .00521 .00566  .00117       0       0
FeT11     .25     .25 .25004 .012 .00593 .00693 .00521 .00566  .00117       0       0
SiT16       0      .5    .25 .993 .00510 .00474 .00554 .00501       0       0       0
FeT16       0      .5    .25 .007 .00510 .00474 .00554 .00501       0       0       0
SiT21  .19183  .07819      0      .00423 .00443 .00322 .00504  .00031       0       0
SiT23  .13504 -.23677      0      .00446 .00403 .00415 .00521 -.00069       0       0
AlT26  .05045  .30737      0      .00460 .00392 .00449 .00540  .00048       0       0
O11    .24639 -.10313 .35861      .00783 .00972 .00645 .00731 -.00039  .00326 -.00093
O16    .06192 -.41565 .34876      .00779 .00646 .00872 .00818 -.00131  .00060 -.00348
O13   -.17331 -.30913 .35824      .00780 .00758 .00855 .00725  .00154 -.00208 -.00238
O26    .04336 -.24898      0      .01162 .00402 .01466 .01619 -.00202       0       0
O21    .12195  .18469      0      .01120 .00861 .00958 .01542  .00524       0       0
O23    .16388 -.07901      0      .01115 .01249 .00477 .01618 -.00287       0       0
NaCh2       0       0      0 .021   .011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h
_database_code_amcsd 0002617
17.138 9.751 9.328 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33744       0    .25 .771 .00715 .00625 .00679 .00841       0       0 -.00009
FeM    .33744       0    .25 .289 .00715 .00625 .00679 .00841       0       0 -.00009
AlT11     .25     .25 .25005 .995 .00635 .00786 .00628 .00490  .00114       0       0
FeT11     .25     .25 .25005 .005 .00635 .00786 .00628 .00490  .00114       0       0
SiT16       0      .5    .25      .00564 .00577 .00657 .00457       0       0       0
SiT21  .19161  .07831      0      .00500 .00566 .00460 .00475  .00019       0       0
SiT23  .13501 -.23658      0      .00502 .00486 .00543 .00478 -.00056       0       0
AlT26  .05037  .30762      0      .00522 .00482 .00606 .00480  .00071       0       0
O11    .24616 -.10329 .35854      .00859 .01134 .00811 .00633 -.00059  .00313 -.00083
O16    .06194 -.41571 .34891      .00862 .00815 .01047 .00725 -.00150  .00079 -.00322
O13   -.17335 -.30888 .35817      .00872 .00940 .00972 .00702  .00136 -.00228 -.00231
O26    .04342 -.24893      0      .01254 .00600 .01612 .01551 -.00234       0       0
O21    .12162  .18469      0      .01254 .01122 .01063 .01578  .00557       0       0
O23    .16365 -.07891      0      .01218 .01390 .00634 .01630 -.00294       0       0
NaCh2       0       0      0 .066   .090   .041   .016   .212    .007       0       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cordierite
Download hom/cordierite.pdf
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A
Download am/vol86/AM86_66.pdf
American Mineralogist 86 (2001) 66-79
Structural properties of ferromagnesian cordierites
Sample: 111249, Cerro del Hoyazo, Spain, T = 900 C, t = 24 h
_database_code_amcsd 0002618
17.172 9.7660 9.3142 90 90 90 Cccm
atom        x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM    .33741       0    .25 .494 .00707 .00608 .00663 .00851       0       0  .00006
FeM    .33741       0    .25 .506 .00707 .00608 .00663 .00851       0       0  .00006
AlT11     .25     .25 .25008 .991 .00612 .00773 .00588 .00475  .00122       0       0
FeT11     .25     .25 .25008 .009 .00612 .00773 .00588 .00475  .00122       0       0
SiT16       0      .5    .25      .00525 .00537 .00642 .00397       0       0       0
SiT21  .19126  .07847      0      .00474 .00598 .00378 .00447  .00017       0       0
SiT23  .13492 -.23598      0      .00466 .00480 .00474 .00445 -.00079       0       0
AlT26  .05011  .30707      0      .00461 .00390 .00583 .00411  .00069       0       0
O11    .24562 -.10360 .35846      .00835 .01087 .00784 .00635 -.00043  .00291 -.00139
O16    .06161 -.41513 .34874      .00846 .00806 .00975 .00757 -.00124 -.00017 -.00298
O13   -.17332 -.30819 .35802      .00826 .00919 .00940 .00619  .00139 -.00217 -.00218
O26    .04360 -.24862      0      .01233 .00587 .01590 .01521 -.00263       0       0
O21    .12127  .18444      0      .01236 .01118 .01014 .01577  .00532       0       0
O23    .16337 -.07837      0      .01219 .01552 .00576 .01530 -.00341       0       0
NaCh2       0       0      0 .037   .055
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 2 K
_database_code_amcsd 0002632
5.86465 8.7652 13.1002 90 90 90 P2_1cn
atom     x      y     z occ  Uiso
Ca   -.266  .0812 .2511     .0035
Al       0  -.000 -.002 .97 .0015
Fe       0  -.000 -.002 .03 .0015
Ala   .002  -.002  .498 .97 .0015
Fea   .002  -.002  .498 .03 .0015
Si   -.248   .731  .133     .0021
Sia  -.250   .727  .366     .0021
O1   -.239 -.2016 .2485     .0030
O2    .024  .1185 .1250     .0027
O2a   .021  .1261 .3819     .0027
O2b   .474  .3674 .8870     .0027
O2c   .475  .3740 .6170     .0027
O3   -.253 -.1130 .0636     .0015
O3a  -.252 -.1155 .4339     .0015
O4   -.258  .3916 .0513     .0016
O4a  -.247  .3806 .4613     .0016
O5   -.234  .3589 .2479     .0041
Dw   -.250  .3826 .1721     .0226
Dwa   .699  .4402 .2841      .035
Dh   -.250  .2797 .0290     .0193
Dha  -.234  .3227 .4014      .028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 50 K
_database_code_amcsd 0002633
5.8639 8.76442 13.099 90 90 90 P2_1cn
atom     x      y     z occ  Uiso
Ca   -.272  .0811 .2506     .0026
Al       0   .000 -.004 .97 .0013
Fe       0   .000 -.004 .03 .0013
Ala  -.006  -.002  .497 .97 .0013
Fea  -.006  -.002  .497 .03 .0013
Si   -.253   .730  .132     .0011
Sia  -.254   .727  .366     .0011
O1   -.247 -.2016 .2485     .0044
O2    .017  .1185 .1248     .0028
O2a   .013  .1255 .3819     .0028
O2b   .466  .3664 .8869     .0028
O2c   .478  .3741 .6170     .0028
O3   -.261 -.1132 .0635     .0014
O3a  -.257 -.1154 .4337     .0014
O4   -.264  .3912 .0512     .0022
O4a  -.255  .3806 .4609     .0022
O5   -.239  .3592 .2482     .0039
Dw   -.259  .3827 .1726     .0226
Dwa   .694  .4408 .2843      .032
Dh   -.256  .2792 .0288     .0217
Dha  -.243  .3225 .4017      .029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 100 K
_database_code_amcsd 0002634
5.86332 8.76659 13.1021 90 90 90 P2_1cn
atom     x       y     z occ  Uiso
Ca   -.269   .0813 .2503     .0033
Al       0    .000 -.004 .97 .0017
Fe       0    .000 -.004 .03 .0017
Ala   .005   -.002  .505 .97 .0017
Fea   .005   -.002  .505 .03 .0017
Si   -.252    .730  .132     .0018
Sia  -.249    .727  .366     .0018
O1   -.244 -.20172 .2485     .0046
O2    .018   .1184 .1218     .0037
O2a   .015    .127 .3862     .0037
O2b   .467   .3675 .8824     .0037
O2c   .470    .374 .6197     .0037
O3   -.257  -.1135 .0637     .0016
O3a  -.256  -.1147 .4341     .0016
O4   -.263   .3919 .0513     .0026
O4a  -.255   .3806 .4609     .0026
O5   -.241   .3590 .2485     .0072
Dw   -.260   .3842 .1726     .0243
Dwa   .701   .4410 .2851      .036
Dh   -.254   .2797 .0295     .0216
Dha  -.240   .3218 .4024      .030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 130 K
_database_code_amcsd 0002635
5.86243 8.76981 13.1063 90 90 90 Pmcn
atom     x      y     z occ  Uiso
Ca    -.25  .0812 .2496     .0059
Al       0      0     0 .97 .0010
Fe       0      0     0 .03 .0010
Ala      0      0    .5 .97 .0010
Fea      0      0    .5 .03 .0010
Si    -.25  .7298 .1319     .0029
Sia   -.25  .7285 .3659     .0029
O1    -.25 -.2019 .2487     .0042
O2   .0243  .1226 .1207     .0040
O2a  .0230  .1230 .3848     .0040
O3    -.25 -.1139 .0628     .0023
O3a   -.25 -.1136 .4333     .0023
O4    -.25  .3925 .0514     .0029
O4a   -.25  .3812 .4612     .0029
O5    -.25  .3575 .2482     .0121
Dw    -.25  .3841 .1723     .0280
Dwa   -.25  .4379 .2878      .059
Dd    -.25  .2797 .0313     .0213
Dda   -.25  .3189 .4042      .031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 175 K
_database_code_amcsd 0002636
5.86092 8.77586 13.1132 90 90 90 Pmcn
atom     x      y     z occ  Uiso
Ca    -.25  .0810 .2493     .0065
Al       0      0     0 .97 .0016
Fe       0      0     0 .03 .0016
Ala      0      0    .5 .97 .0016
Fea      0      0    .5 .03 .0016
Si    -.25  .7291 .1324     .0038
Sia   -.25  .7292 .3664     .0038
O1    -.25 -.2020 .2488     .0057
O2   .0235  .1231 .1202     .0045
O2a  .0230  .1305 .3847     .0045
O3    -.25 -.1137 .0636     .0027
O3a   -.25 -.1137 .4332     .0027
O4    -.25  .3934 .0512     .0044
O4a   -.25  .3822 .4601     .0044
O5    -.25  .3580 .2484     .0142
Dw    -.25  .3875 .1734      .032
Dwa   -.25  .4371 .2902      .058
Dd    -.25  .2796 .0329     .0238
Dda   -.25  .3158 .4063      .038
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 225 K
_database_code_amcsd 0002637
5.85942 8.78269 13.1209 90 90 90 Pmcn
atom     x      y     z occ  Uiso
Ca    -.25  .0812 .2492     .0083
Al       0      0     0 .97 .0026
Fe       0      0     0 .03 .0026
Ala      0      0    .5 .97 .0026
Fea      0      0    .5 .03 .0026
Si    -.25  .7298 .1323     .0039
Sia   -.25  .7291 .3660     .0039
O1    -.25 -.2022 .2492     .0061
O2   .0224  .1242 .1195     .0049
O2a  .0234  .1304 .3845     .0049
O3    -.25 -.1138 .0638     .0039
O3a   -.25 -.1129 .4330     .0039
O4    -.25  .3943 .0515     .0049
O4a   -.25  .3835 .4594     .0049
O5    -.25  .3586 .2488     .0183
Dw    -.25  .3912 .1746      .038
Dwa   -.25  .4337 .2925      .060
Dd    -.25  .2794 .0350      .026
Dda   -.25  .3132 .4092      .043
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 268 K
_database_code_amcsd 0002638
5.85539 8.79152 13.1326 90 90 90 Pmcn
atom    x      y     z occ  Uiso
Ca   -.25  .0803 .2471     .0092
Al      0      0     0 .97 .0040
Fe      0      0     0 .03 .0040
Ala     0      0    .5 .97 .0040
Fea     0      0    .5 .03 .0040
Si   -.25   .731 .1312     .0037
Sia  -.25   .729 .3664     .0037
O1   -.25 -.2034 .2510     .0068
O2   .021  .1270 .1179     .0050
O2a  .024  .1289 .3842     .0050
O3   -.25 -.1135 .0661     .0034
O3a  -.25 -.1116 .4333     .0034
O4   -.25  .3936 .0516     .0076
O4a  -.25  .3868 .4577     .0076
O5   -.25  .3599  .249      .022
Dw   -.25   .407 .1805      .057
Dwa  -.25   .420 .3015      .064
Dd   -.25  .2781 .0383      .036
Dda  -.25   .307 .4178      .052
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 285 K
_database_code_amcsd 0002639
5.85424 8.79471 13.1365 90 90 90 *Cmcm
.25 .25 0
atom     x      y     z occ  Uiso
Ca    -.25  .0804   .25      .011
Al       0    .25     0 .97  .005
Fe       0    .25     0 .03  .005
Si    -.25  .7311 .1330     .0042
O1    -.25 -.2028   .25     .0064
O2   .0225  .1283 .1166     .0061
O3    -.25 -.1122 .0675     .0009
O4    -.25  .3910 .0480     .0128
O5    -.25  .3606   .25      .017
Dw    -.25  .4153 .1886      .059
Dd    -.25  .2890 .0551      .073
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 300 K
_database_code_amcsd 0002640
5.8543 8.79679 13.1387 90 90 90 *Cmcm
.25 .25 0
atom     x      y     z occ  Uiso
Ca    -.25  .0807   .25      .012
Al       0    .25     0 .97  .006
Fe       0    .25     0 .03  .006
Si    -.25  .7311 .1331     .0045
O1    -.25 -.2030   .25     .0066
O2   .0226  .1281 .1167     .0063
O3    -.25 -.1123 .0675     .0013
O4    -.25  .3913 .0482     .0128
O5    -.25  .3602   .25      .017
Dw    -.25  .4160 .1886      .060
Dd    -.25  .2889 .0554      .072
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 350 K
_database_code_amcsd 0002641
5.85603 8.80228 13.1442 90 90 90 *Cmcm
.25 .25 0
atom     x      y     z occ  Uiso
Ca    -.25  .0805   .25      .014
Al       0    .25     0 .97  .007
Fe       0    .25     0 .03  .007
Si    -.25  .7311 .1331     .0049
O1    -.25 -.2033   .25     .0071
O2   .0223  .1290 .1164     .0074
O3    -.25 -.1125 .0677     .0020
O4    -.25  .3915 .0482     .0142
O5    -.25  .3615   .25      .021
Dw    -.25  .4160 .1886      .062
Dd    -.25  .2896 .0556      .076
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T,
Dove M T
Download am/vol86/AM86_566.pdf
American Mineralogist 86 (2001) 566-577
Displacive components of the low-temperature phase transitions in lawsonite
T = 400 K
_database_code_amcsd 0002642
5.85851 8.80727 13.149 90 90 90 *Cmcm
.25 .25 0
atom     x      y     z occ  Uiso
Ca    -.25  .0803   .25      .014
Al       0    .25     0 .97  .007
Fe       0    .25     0 .03  .007
Si    -.25  .7309 .1330     .0052
O1    -.25 -.2036   .25     .0089
O2   .0225  .1288 .1165     .0075
O3    -.25 -.1123 .0678     .0027
O4    -.25  .3916 .0481     .0137
O5    -.25  .3607   .25      .022
Dw    -.25  .4161 .1889      .065
Dd    -.25  .2893 .0557      .075
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-1, before heat treatment
Locality: Parana, Brazil
_database_code_amcsd 0003147
9.716 8.946 5.252 90 108.49 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3381 .1688       .008   .005   .008   .010   .000   .002   .000
O1b   .3736 .8364 .1344       .008   .006   .008   .010   .001   .002   .000
O2A   .1218 .4994 .3324       .010   .011   .007   .013  -.002   .005  -.001
O2B   .6288 .9879 .3726       .014   .014   .010   .020  -.007   .009  -.007
O3A   .1043 .2391 .0765       .018   .007   .024   .022  -.001   .004   .000
O3B   .6050 .7097 .4808       .013   .007   .019   .013   .001   .003   .008
SiA   .0426 .3405 .2761       .006   .005   .005   .010  -.001   .003  -.001
SiB   .5494 .8374 .2386       .006   .005   .005   .007  -.001   .003  -.001
MgM1  .2504 .6547 .2319 .7595 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6547 .2319 .2155 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6547 .2319 .0070 .006   .006   .006   .007   .000   .002   .000
CaM2  .2552 .0190 .2294 .1950 .011   .008   .015   .007   .001   .000   .002
MgM2  .2552 .0190 .2294 .1624 .011   .008   .015   .007   .001   .000   .002
FeM2  .2552 .0190 .2294 .6222 .011   .008   .015   .007   .001   .000   .002
MnM2  .2552 .0190 .2294 .0204 .011   .008   .015   .007   .001   .000   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-2, after heating at 700 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003148
9.708 8.941 5.244 90 108.52 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1327 .3384 .1699       .008   .005   .009   .009   .000   .002   .000
O1b   .3737 .8368 .1339       .008   .006   .010   .009   .000   .002   .000
O2A   .1217 .4995 .3318       .010   .011   .007   .012  -.003   .005  -.001
O2B   .6293 .9875 .3740       .014   .014   .010   .020  -.006   .010  -.007
O3A   .1043 .2375 .0795       .016   .008   .021   .019  -.001   .004      0
O3B   .6051 .7086 .4795       .013   .007   .019   .012   .001   .003   .008
SiA   .0426 .3404 .2775       .006   .005   .006   .009  -.001   .003  -.001
SiB   .5496 .8374 .2380       .006   .005   .006   .007  -.001   .002  -.001
MgM1  .2504 .6546 .2311 .7283 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6546 .2311 .2458 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6546 .2311 .0079 .006   .006   .006   .007   .000   .002   .000
CaM2  .2553 .0188 .2286 .1953 .011   .008   .015   .007   .001   .000   .002
MgM2  .2553 .0188 .2286 .1974 .011   .008   .015   .007   .001   .000   .002
FeM2  .2553 .0188 .2286 .5879 .011   .008   .015   .007   .001   .000   .002
MnM2  .2553 .0188 .2286 .0194 .011   .008   .015   .007   .001   .000   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-3, after heating at 750 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003149
9.707 8.941 5.247 90 108.48 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3385 .1699       .008   .006   .010   .009   .000   .002   .000
O1b   .3738 .8369 .1343       .009   .006   .010   .010   .000   .002   .000
O2A   .1217 .4996 .3316       .011   .012   .007   .013  -.003   .005  -.001
O2B   .6293 .9874 .3737       .014   .014   .011   .020  -.006   .010  -.007
O3A   .1045 .2372 .0799       .017   .009   .022   .018  -.001   .004      0
O3B   .6050 .7086 .4791       .014   .008   .020   .013   .001   .003   .008
SiA   .0427 .3404 .2776       .007   .006   .006   .010  -.001   .003  -.001
SiB   .5496 .8374 .2382       .007   .006   .006   .008  -.001   .003  -.001
MgM1  .2504 .6546 .2310 .7159 .007   .007   .006   .008   .009   .000   .002
FeM1  .2504 .6546 .2310 .2544 .007   .007   .006   .008   .009   .000   .002
MnM1  .2504 .6546 .2310 .0082 .007   .007   .006   .008   .009   .000   .002
CaM2  .2554 .0188 .2286 .1953 .011   .009   .016   .008   .002   .001   .002
MgM2  .2554 .0188 .2286 .2049 .011   .009   .016   .008   .002   .001   .002
FeM2  .2554 .0188 .2286 .5807 .011   .009   .016   .008   .002   .001   .002
MnM2  .2554 .0188 .2286 .0191 .011   .009   .016   .008   .002   .001   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-4, after heating at 800 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003150
9.707 8.943 5.246 90 108.47 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3386 .1705       .008   .005   .009   .008   .000   .002   .000
O1b   .3738 .8369 .1341       .008   .006   .009   .009   .001   .002   .000
O2A   .1217 .4995 .3315       .010   .012   .007   .012  -.003   .005  -.001
O2B   .6294 .9874 .3741       .013   .014   .011   .019  -.006   .010  -.007
O3A   .1041 .2370 .0802       .016   .008   .021   .018  -.001   .004      0
O3B   .6049 .7084 .4791       .013   .007   .019   .012   .001   .003   .007
SiA   .0426 .3404 .2780       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8373 .2380       .006   .006   .006   .007  -.001   .002  -.001
MgM1  .2505 .6546 .2307 .7108 .006   .007   .006   .006   .000   .002   .000
FeM1  .2505 .6546 .2307 .2626 .006   .007   .006   .006   .000   .002   .000
MnM1  .2505 .6546 .2307 .0085 .006   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0187 .2283 .1935 .011   .009   .015   .007   .002   .001   .002
MgM2  .2554 .0187 .2283 .2188 .011   .009   .015   .007   .002   .001   .002
FeM2  .2554 .0187 .2283 .5668 .011   .009   .015   .007   .002   .001   .002
MnM2  .2554 .0187 .2283 .0189 .011   .009   .015   .007   .002   .001   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-5, after heating at 850 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003151
9.711 8.944 5.249 90 108.49 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1324 .3385 .1710       .008   .007   .009   .009   .001   .002   .000
O1b   .3738 .8371 .1334       .008   .007   .009   .009   .000   .002  -.001
O2A   .1216 .4995 .3307       .010   .013   .007   .012  -.003   .007  -.001
O2B   .6287 .9875 .3729       .014   .013   .011   .021  -.004   .010  -.006
O3A   .1041 .2369 .0802       .014   .007   .018   .016  -.002   .003  -.009
O3B   .6047 .7089 .4800       .012   .009   .016   .012   .001   .003   .006
SiA   .0426 .3404 .2783       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8372 .2379       .006   .006   .006   .007  -.001   .003  -.001
MgM1  .2504 .6545 .2304 .6900 .007   .007   .006   .006   .000   .002   .000
FeM1  .2504 .6545 .2304 .2784 .007   .007   .006   .006   .000   .002   .000
MnM1  .2504 .6545 .2304 .0087 .007   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0191 .2282 .1787 .011   .010   .016   .007   .002   .001   .003
MgM2  .2554 .0191 .2282 .2310 .011   .010   .016   .007   .002   .001   .003
FeM2  .2554 .0191 .2282 .5720 .011   .010   .016   .007   .002   .001   .003
MnM2  .2554 .0191 .2282 .0183 .011   .010   .016   .007   .002   .001   .003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Download am/vol88/AM88_1115.pdf
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-6, after the final in situ run to 500 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003152
9.718 8.951 5.250 90 108.50 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3384 .1704       .007   .006   .009   .007  -.001   .002   .000
O1b   .3734 .8374 .1339       .007   .006   .007   .007   .002   .002   .001
O2A   .1220 .4997 .3315       .009   .013   .006   .011  -.005   .006   .001
O2B   .6281 .9868 .3717       .014   .013   .010   .020  -.006   .008  -.004
O3A   .1041 .2370 .0798       .012   .006   .014   .014   .000   .001  -.008
O3B   .6043 .7098 .4800       .011   .006   .017   .010   .001   .002   .005
SiA   .0424 .3407 .2780       .006   .004   .005   .008  -.001   .002  -.002
SiB   .5498 .8370 .2377       .005   .005   .004   .007   .000   .002   .000
MgM1  .2505 .6546 .2303 .7010 .006   .006   .005   .006  -.001   .001  -.001
FeM1  .2505 .6546 .2303 .2736 .006   .006   .005   .006  -.001   .001  -.001
MnM1  .2505 .6546 .2303 .0086 .006   .006   .005   .006  -.001   .001  -.001
CaM2  .2554 .0194 .2281 .1803 .011   .009   .015   .007   .002  -.001   .002
MgM2  .2554 .0194 .2281 .2406 .011   .009   .015   .007   .002  -.001   .002
FeM2  .2554 .0194 .2281 .5607 .011   .009   .015   .007   .002  -.001   .002
MnM2  .2554 .0194 .2281 .0184 .011   .009   .015   .007   .002  -.001   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lawsonite
Download hom/lawsonite.pdf
Sondergeld P, Schranz W, Troster A, Armbruster T, Giester G, Kityk A, Carpenter M A
Download am/vol90/AM90_448.pdf
American Mineralogist 90 (2005) 448-456
Ordering and elasticity associated with low-temperature phase transitions in lawsonite
Sample at T = 215 K
_database_code_amcsd 0003737
5.8515 8.7768 13.1107 90 90 90 *Pmcn
.25 .25 0
atom      x      y      z   Uiso
Ca        0 .33243 .25072 .00745
Al      .25    .25      0 .00413
Ala     .25    .25     .5 .00383
Si        0 .98045 .13204 .00417
Sia       0 .97888 .36585 .00416
O1        0 .04971 .24903 .00699
O2   .27482 .37460 .11933 .00705
O2a  .27177 .37994 .38419 .00608
O3        0 .13736 .06351 .00562
O3a       0 .13592 .43419 .00576
O4        0 .64019 .05069 .00593
O4a       0 .63476 .45762 .00739
O5        0 .60880 .24857 .01533
Hw        0  .6420  .1849   .037
Hwa       0   .681  .2870   .046
Hh        0  .5395  .0386   .047
Hha       0  .5638  .4245   .104
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 298 K
_database_code_amcsd 0005052
5.1665 5.1665 8.7248 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2532 .985 .0195  .0186  .0186  .0213  .0093      0      0
AlT1   1/3   2/3  .0620      .0120  .0108  .0108  .0143  .0054      0      0
SiT2   1/3   2/3 .44379      .0087  .0085  .0085  .0091  .0042      0      0
O1     1/3   2/3  .2591      .0303  .0393  .0393  .0124  .0196      0      0
O2   .6164 .0132 1.0025      .0195  .0100  .0138  .0312  .0034  .0024  .0045
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 250 K
_database_code_amcsd 0005053
5.1627 5.1627 8.7352 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2536 .982 .0168  .0161  .0161  .0183 .00804      0      0
AlT1   1/3   2/3  .0622      .0112  .0109  .0109  .0119  .0054      0      0
SiT2   1/3   2/3 .44419      .0078  .0073  .0073  .0089  .0036      0      0
O1     1/3   2/3  .2595      .0277  .0359  .0359  .0113  .0179      0      0
O2   .6179 .0141 1.0041      .0175  .0086  .0117  .0279  .0019  .0016  .0034
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 200 K
_database_code_amcsd 0005054
5.1588 5.1588 8.7383 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2526 .987 .0142  .0136  .0136  .0152 .00682      0      0
AlT1   1/3   2/3  .0619      .0093  .0080  .0080  .0119  .0040      0      0
SiT2   1/3   2/3 .44383      .0071  .0071  .0071  .0071  .0036      0      0
O1     1/3   2/3  .2590      .0248  .0320  .0320  .0103  .0160      0      0
O2   .6196 .0146 1.0042      .0148  .0073  .0101  .0234  .0018  .0016  .0028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 150 K
_database_code_amcsd 0005055
5.1560 5.1560 8.7450 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2532 .983 .0117  .0113  .0113  .0125 .00566      0      0
AlT1   1/3   2/3  .0619      .0096  .0091  .0091  .0106  .0046      0      0
SiT2   1/3   2/3 .44386      .0059  .0057  .0057  .0063  .0028      0      0
O1     1/3   2/3  .2589      .0225  .0289  .0289  .0096  .0144      0      0
O2   .6204 .0140 1.0036      .0136  .0063  .0099  .0204  .0010  .0020  .0015
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 100 K
_database_code_amcsd 0005056
5.1531 5.1531 8.7523 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2529 .984 .0091  .0089  .0089  .0097 .00443      0      0
AlT1   1/3   2/3  .0618      .0078  .0069  .0069  .0096  .0034      0      0
SiT2   1/3   2/3 .44388      .0052  .0054  .0054  .0049  .0027      0      0
O1     1/3   2/3  .2588      .0185  .0239  .0239  .0078  .0119      0      0
O2   .6215 .0147 1.0041      .0111  .0054  .0070  .0180  .0009  .0003  .0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 175 K
_database_code_amcsd 0005057
5.1589 5.1589 8.7438 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2532 .980 .0130  .0124  .0124  .0142 .00621      0      0
AlT1   1/3   2/3  .0619      .0101  .0093  .0093  .0115  .0047      0      0
SiT2   1/3   2/3 .44386      .0064  .0064  .0064  .0064  .0032      0      0
O1     1/3   2/3  .2591      .0237  .0302  .0302  .0106  .0151      0      0
O2   .6196 .0137 1.0032      .0145  .0066  .0104  .0223  .0012  .0001  .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 225 K
_database_code_amcsd 0005058
5.1627 5.1627 8.7392 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2530 .985 .0154  .0149  .0149  .0164 .00744      0      0
AlT1   1/3   2/3  .0619      .0093  .0074  .0074  .0131  .0037      0      0
SiT2   1/3   2/3 .44384      .0081  .0089  .0089  .0065  .0044      0      0
O1     1/3   2/3  .2590      .0262  .0341  .0341  .0104  .0170      0      0
O2   .6190 .0146 1.0043      .0159  .0074  .0108  .0252  .0013  .0012  .0018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kalsilite
Download hom/kalsilite.pdf
Gatta G D, Angel R J, Carpenter M A
 
American Mineralogist 95 (2010) 1027-1034
Low-temperature behavior of natural kalsilite with P31c symmetry:
An in situ single-crystal X-ray diffraction study
Locality: a granulite facies gneiss from the Punalur district in Kerala, India
T = 275 K
_database_code_amcsd 0005059
5.1652 5.1652 8.7326 90 90 120 P31c
atom     x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0  .2532 .986 .0184  .0175  .0175  .0202  .0088      0      0
AlT1   1/3   2/3  .0620      .0119  .0110  .0110  .0137  .0055      0      0
SiT2   1/3   2/3 .44378      .0082  .0080  .0080  .0086  .0040      0      0
O1     1/3   2/3  .2591      .0295  .0386  .0386  .0115  .0193      0      0
O2   .6173 .0138 1.0036      .0184  .0087  .0131  .0287  .0018  .0001  .0036
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: natural sample
Note: T = 110 K
_database_code_amcsd 0006202
9.9820 9.9820 8.3670 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0031 .57 .024
Na1      0     0 .0031 .24 .024
Na2  .5547 .9971 .5082     .017
Al1    2/3   1/3 .7014 .48 .010
Si1    2/3   1/3 .7014 .52 .010
Al2    2/3   1/3 .3137 .48 .012
Si2    2/3   1/3 .3137 .52 .012
Al3  .9064 .6660 .8222 .48 .012
Si3  .9064 .6660 .8222 .52 .012
Al4  .9071 .6672 .1959 .48 .010
Si4  .9071 .6672 .1959 .52 .010
O1   .6611 .2825 .5005 1/3 .024
O2   .9734 .6822 .0022     .034
O3   .8270 .4774 .2518     .038
O4   .8374 .4891 .7613     .032
O5   .7736 .7143 .8253     .016
O6   .7765 .7329 .2012     .018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: natural sample
Note: T = 200 K
_database_code_amcsd 0006203
9.9890 9.9890 8.3687 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0034 .57 .028
Na1      0     0 .0034 .24 .028
Na2  .5545 .9972 .5081     .021
Al1    2/3   1/3 .7014 .48 .012
Si1    2/3   1/3 .7014 .52 .012
Al2    2/3   1/3 .3134 .48 .013
Si2    2/3   1/3 .3134 .52 .013
Al3  .9061 .6660 .8223 .48 .013
Si3  .9061 .6660 .8223 .52 .013
Al4  .9068 .6675 .1959 .48 .011
Si4  .9068 .6675 .1959 .52 .011
O1   .6620 .2858 .5015 1/3 .028
O2   .9734 .6830 .0027     .033
O3   .8269 .4775 .2516     .037
O4   .8373 .4896 .7629     .033
O5   .7736 .7145 .8249     .018
O6   .7765 .7330 .2011     .021
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: natural sample
Note: T = 290 K
_database_code_amcsd 0006204
9.9995 9.9995 8.3766 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0037 .57 .033
Na1      0     0 .0037 .24 .033
Na2  .5541 .9972 .5080     .025
Al1    2/3   1/3 .7015 .48 .013
Si1    2/3   1/3 .7015 .52 .013
Al2    2/3   1/3 .3132 .48 .014
Si2    2/3   1/3 .3132 .52 .014
Al3  .9057 .6661 .8224 .48 .014
Si3  .9057 .6661 .8224 .52 .014
Al4  .9064 .6676 .1959 .48 .012
Si4  .9064 .6676 .1959 .52 .012
O1   .6620 .2891 .5013 1/3 .033
O2   .9729 .6835 .0027     .034
O3   .8265 .4775 .2514     .038
O4   .8367 .4898 .7642     .034
O5   .7737 .7147 .8241     .020
O6   .7760 .7329 .2011     .023
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: annealed
Note: T = 220 K
_database_code_amcsd 0006205
9.9751 9.9751 8.3658 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0031 .57 .028
Na1      0     0 .0031 .24 .028
Na2  .5547 .9979 .5081     .020
Al1    2/3   1/3 .7017 .48 .011
Si1    2/3   1/3 .7017 .52 .011
Al2    2/3   1/3 .3124 .48 .012
Si2    2/3   1/3 .3124 .52 .012
Al3  .9066 .6664 .8226 .48 .011
Si3  .9066 .6664 .8226 .52 .011
Al4  .9071 .6679 .1958 .48 .010
Si4  .9071 .6679 .1958 .52 .010
O1   .6640 .2910 .5023 1/3 .028
O2   .9743 .6842 .0022     .028
O3   .8272 .4773 .2512     .033
O4   .8373 .4896 .7645     .029
O5   .7739 .7145 .8252     .016
O6   .7767 .7335 .2007     .018
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: annealed
Note: T = 150 K
_database_code_amcsd 0006206
9.9698 9.9698 8.3615 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0029 .57 .024
Na1      0     0 .0029 .24 .024
Na2  .5550 .9978 .5082     .017
All    2/3   1/3 .7017 .48  .01
Sil    2/3   1/3 .7017 .52  .01
Al2    2/3   1/3 .3124 .48 .011
Si2    2/3   1/3 .3124 .52 .011
Al3  .9067 .6662 .8226 .48 .010
Si3  .9067 .6662 .8226 .52 .010
Al4  .9073 .6677 .1958 .48 .009
Si4  .9073 .6677 .1958 .52 .009
O1   .6623 .2875 .5015 1/3 .024
O2   .9745 .6837 .0023     .028
O3   .8273 .4771 .2517     .033
O4   .8377 .4894 .7635     .029
O5   .7739 .7143 .8255     .014
O6   .7767 .7333 .2008     .016
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: annealed
Note: T = 100 K
_database_code_amcsd 0006207
9.9685 9.9685 8.3608 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0028 .57 .022
Na1      0     0 .0028 .24 .022
Na2  .5551 .9976 .5085     .015
Al1    2/3   1/3 .7017 .48 .009
Si1    2/3   1/3 .7017 .52 .009
Al2    2/3   1/3 .3124 .48 .010
Si2    2/3   1/3 .3124 .52 .010
Al3  .9067 .6661 .8225 .48 .010
Si3  .9067 .6661 .8225 .52 .010
Al4  .9074 .6675 .1958 .48 .008
Si4  .9074 .6675 .1958 .52 .008
O1   .6605 .2846 .5008 1/3 .021
O2   .9743 .6830 .0023     .029
O3   .8273 .4771 .2518     .033
O4   .8379 .4894 .7624     .034
O5   .7736 .7141 .8257     .014
O6   .7769 .7333 .2011     .015
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: annealed
Note: T = 15 K
_database_code_amcsd 0006208
9.9801 9.9801 8.3707 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0037 .57 .022
Na1      0     0 .0037 .24 .022
Na2  .5554 .9976 .5086     .017
Al1    2/3   1/3 .7010 .48 .012
Si1    2/3   1/3 .7010 .52 .012
Al2    2/3   1/3 .3136 .48 .014
Si2    2/3   1/3 .3136 .52 .014
Al3  .9067 .6658 .8222 .48 .014
Si3  .9067 .6658 .8222 .52 .014
Al4  .9073 .6671 .1961 .48 .012
Si4  .9073 .6671 .1961 .52 .012
O1   .6602 .2797 .5053 1/3 .023
O2   .9732 .6814 .0034     .035
O3   .8287 .4781 .2515     .038
O4   .8365 .4889 .7610     .034
O5   .7746 .7152 .8251     .019
O6   .7762 .7315 .2007     .020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nepheline
Download hom/nepheline.pdf
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A
Download cm/vol46/CM46_1465.pdf
The Canadian Mineralogist 46 (2008) 1465-1476
The mechanism of coupling in the modulated structure of nepheline
Locality: Snipe River, Tambani, Malawi
Note: annealed
Note: T = 298 K
_database_code_amcsd 0006209
9.9867 9.9861 8.3697 90 90 120 P6_3
atom     x     y     z occ Uiso
K        0     0 .0030 .57 .032
Na1      0     0 .0030 .24 .032
Na2  .5545 .9980 .5080     .024
Al1    2/3   1/3 .7018 .48 .012
Si1    2/3   1/3 .7018 .52 .012
Al2    2/3   1/3 .3123 .48 .013
Si2    2/3   1/3 .3123 .52 .013
Al3  .9063 .6665 .8226 .48 .012
Si3  .9063 .6665 .8226 .52 .012
Al4  .9067 .6680 .1959 .48 .010
Si4  .9067 .6680 .1959 .52 .010
O1   .6660 .2950 .5021 1/3 .030
O2   .9739 .6845 .0022     .028
O3   .8267 .4773 .2508     .033
O4   .8371 .4898 .7651     .030
O5   .7739 .7148 .8246     .018
O6   .7764 .7334 .2008     .021
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
 
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hga, T = 25 C
_database_code_amcsd 0008637
9.719 8.947 5.251 90 108.49 90 P2_1/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1 .2506 .6548 .2317 .7668 .006   .007   .006   .007   .000   .003   .000
FeM1 .2506 .6548 .2317 .2082 .006   .007   .006   .007   .000   .003   .000
MnM1 .2506 .6548 .2317 .0067 .006   .007   .006   .007   .000   .003   .000
CaM1 .2506 .6548 .2317 .0183 .006   .007   .006   .007   .000   .003   .000
MgM2 .2552 .0192 .2294 .1596 .011   .009   .016   .008   .001   .001   .003
FeM2 .2552 .0192 .2294 .6245 .011   .009   .016   .008   .001   .001   .003
MnM2 .2552 .0192 .2294 .0206 .011   .009   .016   .008   .001   .001   .003
CaM2 .2552 .0192 .2294 .1953 .011   .009   .016   .008   .001   .001   .003
SiA  .0426 .3405 .2761       .007   .006   .006   .010  -.001   .004  -.001
SiB  .5493 .8374 .2382       .006   .006   .005   .008  -.001   .003  -.001
O1A  .8673 .3383 .1685       .009   .007   .009   .010   .000   .002   .000
O1B  .3735 .8367 .1342       .009   .007   .009   .011   .000   .003   .001
O2A  .1215 .4994 .3316       .011   .012   .007   .014  -.026   .006  -.001
O2B  .6286 .9881 .3719       .014   .014   .011   .021  -.006   .011  -.008
O3A  .1042 .2605 .5758       .017   .007   .022   .021   .002   .004   .013
O3B  .6050 .7100 .4806       .013   .008   .017   .014   .000   .003   .006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
 
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hgd, T = 650 C
_database_code_amcsd 0008638
9.801 9.008 5.296 90 109.01 90 P2_1/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1 .2502 .6532 .2397 .7529 .018   .019   .019   .016   .000   .003   .000
FeM1 .2502 .6532 .2397 .2222 .018   .019   .019   .016   .000   .003   .000
MnM1 .2502 .6532 .2397 .0072 .018   .019   .019   .016   .000   .003   .000
CaM1 .2502 .6532 .2397 .0179 .018   .019   .019   .016   .000   .003   .000
MgM2 .2528 .0188 .2382 .1699 .029   .029   .034   .020   .003   .002   .002
FeM2 .2528 .0188 .2382 .6148 .029   .029   .034   .020   .003   .002   .002
MnM2 .2528 .0188 .2382 .0202 .029   .029   .034   .020   .003   .002   .002
CaM2 .2528 .0188 .2382 .1951 .029   .029   .034   .020   .003   .002   .002
SiA  .0435 .3398 .2703       .015   .014   .016   .016  -.001   .006  -.002
SiB  .5470 .8381 .2480       .014   .013   .015   .016  -.002   .005  -.001
O1A  .8691 .3381 .1609       .019   .014   .024   .019   .001   .005   .001
O1B  .3725 .8384 .1418       .020   .014   .023   .021   .001   .004  -.001
O2A  .1222 .4968 .3397       .025   .030   .017   .032  -.008   .014  -.003
O2B  .6262 .9905 .3632       .029   .030   .026   .032  -.011   .014  -.010
O3A  .1024 .2516 .5583       .035   .018   .052   .032   .003   .006   .023
O3B  .6031 .7222 .5045       .031   .021   .043   .029   .004   .009   .019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
 
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hgg, T = 750 C
_database_code_amcsd 0008639
9.824 9.017 5.309 90 109.19 90 P2_1/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1 .2502 .6530 .2429 .7267 .020   .021   .022   .018   .000   .005   .000
FeM1 .2502 .6530 .2429 .2474 .020   .021   .022   .018   .000   .005   .000
MnM1 .2502 .6530 .2429 .0080 .020   .021   .022   .018   .000   .005   .000
CaM1 .2502 .6530 .2429 .0179 .020   .021   .022   .018   .000   .005   .000
MgM2 .2520 .0187 .2414 .2008 .033   .033   .038   .022   .005   .002   .001
FeM2 .2520 .0187 .2414 .5845 .033   .033   .038   .022   .005   .002   .001
MnM2 .2520 .0187 .2414 .0194 .033   .033   .038   .022   .005   .002   .001
CaM2 .2520 .0187 .2414 .1953 .033   .033   .038   .022   .005   .002   .001
SiA  .0439 .3396 .2681       .017   .016   .018   .017  -.002   .006  -.002
SiB  .5461 .8385 .2525       .016   .014   .016   .018  -.002   .005  -.001
O1A  .8696 .3380 .1587       .021   .012   .027   .021   .001   .003  -.002
O1B  .3724 .8393 .1453       .022   .019   .024   .023   .001   .006   .001
O2A  .1223 .4960 .3426       .029   .036   .019   .035  -.008   .016  -.003
O2B  .6256 .9913 .3597       .032   .031   .030   .036  -.012   .014  -.012
O3A  .1019 .2484 .5519       .038   .021   .058   .034   .006   .008   .026
O3B  .6034 .7273 .5162       .036   .022   .051   .036   .003   .010   .022
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
 
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hgi, T = 850 C
_database_code_amcsd 0008640
9.840 9.021 5.3184 90 109.35 90 P2_1/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1 .2499 .6526 .2463 .7108 .022   .023   .024   .019   .000   .005  -.003
FeM1 .2499 .6526 .2463 .2625 .022   .023   .024   .019   .000   .005  -.003
MnM1 .2499 .6526 .2463 .0085 .022   .023   .024   .019   .000   .005  -.003
CaM1 .2499 .6526 .2463 .0182 .022   .023   .024   .019   .000   .005  -.003
MgM2 .2514 .0187 .2458 .2137 .035   .036   .041   .024   .007   .003  -.002
FeM2 .2514 .0187 .2458 .5722 .035   .036   .041   .024   .007   .003  -.002
MnM2 .2514 .0187 .2458 .0189 .035   .036   .041   .024   .007   .003  -.002
CaM2 .2514 .0187 .2458 .1952 .035   .036   .041   .024   .007   .003  -.002
SiA  .0445 .3390 .2659       .018   .017   .019   .019  -.003   .007  -.004
SiB  .5451 .8392 .2565       .017   .014   .019   .018  -.002   .005   .001
O1A  .8697 .3378 .1564       .023   .016   .029   .023   .001   .005  -.005
O1B  .3719 .8400 .1482       .024   .017   .029   .024   .001   .005   .004
O2A  .1237 .4959 .3460       .029   .035   .016   .036  -.010   .012  -.005
O2B  .6241 .9921 .3559       .036   .038   .036   .039  -.015   .020  -.011
O3A  .1019 .2429 .5446       .039   .020   .061   .035   .005   .006   .028
O3B  .6029 .7352 .5284       .041   .027   .058   .040   .002   .012   .024
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pigeonite
Download hom/pigeonite.pdf
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
 
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hgj, T = 950 C
_database_code_amcsd 0008641
9.849 9.018 5.323 90 109.44 90 C2/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1     0 .9020   1/4 .6900 .024   .026   .025   .020      0   .006      0
FeM1     0 .9020   1/4 .2820 .024   .026   .025   .020      0   .006      0
MnM1     0 .9020   1/4 .0091 .024   .026   .025   .020      0   .006      0
CaM1     0 .9020   1/4 .0189 .024   .026   .025   .020      0   .006      0
MgM2     0 .2688   1/4 .2457 .037   .038   .043   .025      0   .003      0
FeM2     0 .2688   1/4 .5401 .037   .038   .043   .025      0   .003      0
MnM2     0 .2688   1/4 .0182 .037   .038   .043   .025      0   .003      0
CaM2     0 .2688   1/4 .1960 .037   .038   .043   .025      0   .003      0
Si   .2948 .0892 .2617       .019   .017   .019   .019  -.002   .006  -.002
O1   .1207 .0889 .1522       .024   .018   .030   .024   .001   .005  -.001
O2   .3735 .2446 .3497       .034   .039   .026   .040  -.013   .017  -.009
O3   .3523 .0100 .0382       .042   .027   .061   .037  -.004   .010  -.027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 59
View in amc, download in amc

Return to AMCSD Home Page