|
Anorthite |
 |
Angel R J, Carpenter M A, Finger L W |
 |
American Mineralogist 75 (1990) 150-162 |
|
Structural variation associated with compositional variation and order-disorder |
|
behavior in anorthite-rich feldspars |
|
sample from Val Pasmeda |
|
_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) |
|
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 |
|
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 |
|
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
|
| |
|
Anorthite |
|
Angel R J, Carpenter M A, Finger L W |
|
American Mineralogist 75 (1990) 150-162 |
|
Structural variation associated with compositional variation and order-disorder |
|
behavior in anorthite-rich feldspars |
|
sample from Monte Somma |
|
_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) |
|
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 |
|
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 |
|
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
|
| |
|
Anorthite |
|
Angel R J, Carpenter M A, Finger L W |
|
American Mineralogist 75 (1990) 150-162 |
|
Structural variation associated with compositional variation and order-disorder |
|
behavior in anorthite-rich feldspars |
|
sample from Monte Somma |
|
_database_code_amcsd 0001288 |
|
8.1796 12.8747 14.172 93.134 115.885 91.236 I-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
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 |
|
Caooo .2659 .9861 .0869 .0020 .0029 .0015 -.0002 .0007 -.0009 |
|
Cazoo .2681 .0304 .5450 .0020 .0017 .0013 .0008 .0001 -.0003 |
|
Caoio .7735 .5353 .5422 .0023 .0015 .0013 .0006 .0004 -.0002 |
|
Cazio .7637 .5030 .0770 .0026 .0023 .0011 .0006 .0002 -.0007 |
|
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
|
| |
|
Anorthite |
|
Angel R J, Carpenter M A, Finger L W |
|
American Mineralogist 75 (1990) 150-162 |
|
Structural variation associated with compositional variation and order-disorder |
|
behavior in anorthite-rich feldspars |
|
sample #115082a |
|
_database_code_amcsd 0001289 |
|
8.178 12.870 14.175 93.17 115.97 91.15 I-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
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 |
|
Caooo .2658 .9859 .0865 .0036 .0038 .0019 -.0002 .0013 -.0011 |
|
Cazoo .2681 .0301 .5459 .0033 .0020 .0016 .0007 .0007 -.0003 |
|
Caoio .7737 .5350 .5429 .0034 .0020 .0015 .0009 .0007 -.0003 |
|
Cazio .7636 .5020 .0770 .0029 .0025 .0017 .0006 .0010 -.0006 |
|
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
|
| |
|
Kalsilite |
|
Cellai D, Bonazzi P, Carpenter M A |
|
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
|
| |
|
Kalsilite |
|
Cellai D, Gesing T M, Wruck B, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cordierite |
|
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lawsonite |
|
Meyer H, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Lawsonite |
|
Meyer H W, Marion S, Sondergeld P, Carpenter M A, Knight K S, Redfern S A T, |
|
Dove M T |
|
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
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003147 |
|
9.716 8.946 5.252 90 108.49 90 P2_1/c |
|
atom x y z Uiso occ 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 0 |
|
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 .006 .7595 .006 .006 .007 .000 .002 .000 |
|
FeM1 .2504 .6547 .2319 .006 .2155 .006 .006 .007 .000 .002 .000 |
|
MnM1 .2504 .6547 .2319 .006 .0070 .006 .006 .007 .000 .002 .000 |
|
CaM2 .2552 .0190 .2294 .011 .1950 .008 .015 .007 .001 .000 .002 |
|
MgM2 .2552 .0190 .2294 .011 .1624 .008 .015 .007 .001 .000 .002 |
|
FeM2 .2552 .0190 .2294 .011 .6222 .008 .015 .007 .001 .000 .002 |
|
MnM2 .2552 .0190 .2294 .011 .0204 .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
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003148 |
|
9.708 8.941 5.244 90 108.52 90 P2_1/c |
|
atom x y z Uiso occ 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 .006 .7283 .006 .006 .007 .000 .002 .000 |
|
FeM1 .2504 .6546 .2311 .006 .2458 .006 .006 .007 .000 .002 .000 |
|
MnM1 .2504 .6546 .2311 .006 .0079 .006 .006 .007 .000 .002 .000 |
|
CaM2 .2553 .0188 .2286 .011 .1953 .008 .015 .007 .001 .000 .002 |
|
MgM2 .2553 .0188 .2286 .011 .1974 .008 .015 .007 .001 .000 .002 |
|
FeM2 .2553 .0188 .2286 .011 .5879 .008 .015 .007 .001 .000 .002 |
|
MnM2 .2553 .0188 .2286 .011 .0194 .008 .015 .007 .001 .000 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003149 |
|
9.707 8.941 5.247 90 108.48 90 P2_1/c |
|
atom x y z Uiso occ 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 .007 .7159 .007 .006 .008 .009 .000 .002 |
|
FeM1 .2504 .6546 .2310 .007 .2544 .007 .006 .008 .009 .000 .002 |
|
MnM1 .2504 .6546 .2310 .007 .0082 .007 .006 .008 .009 .000 .002 |
|
CaM2 .2554 .0188 .2286 .011 .1953 .009 .016 .008 .002 .001 .002 |
|
MgM2 .2554 .0188 .2286 .011 .2049 .009 .016 .008 .002 .001 .002 |
|
FeM2 .2554 .0188 .2286 .011 .5807 .009 .016 .008 .002 .001 .002 |
|
MnM2 .2554 .0188 .2286 .011 .0191 .009 .016 .008 .002 .001 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003150 |
|
9.707 8.943 5.246 90 108.47 90 P2_1/c |
|
atom x y z Uiso occ 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 .006 .7108 .007 .006 .006 .000 .002 .000 |
|
FeM1 .2505 .6546 .2307 .006 .2626 .007 .006 .006 .000 .002 .000 |
|
MnM1 .2505 .6546 .2307 .006 .0085 .007 .006 .006 .000 .002 .000 |
|
CaM2 .2554 .0187 .2283 .011 .1935 .009 .015 .007 .002 .001 .002 |
|
MgM2 .2554 .0187 .2283 .011 .2188 .009 .015 .007 .002 .001 .002 |
|
FeM2 .2554 .0187 .2283 .011 .5668 .009 .015 .007 .002 .001 .002 |
|
MnM2 .2554 .0187 .2283 .011 .0189 .009 .015 .007 .002 .001 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003151 |
|
9.711 8.944 5.249 90 108.49 90 P2_1/c |
|
atom x y z Uiso occ 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 .007 .6900 .007 .006 .006 .000 .002 .000 |
|
FeM1 .2504 .6545 .2304 .007 .2784 .007 .006 .006 .000 .002 .000 |
|
MnM1 .2504 .6545 .2304 .007 .0087 .007 .006 .006 .000 .002 .000 |
|
CaM2 .2554 .0191 .2282 .011 .1787 .010 .016 .007 .002 .001 .003 |
|
MgM2 .2554 .0191 .2282 .011 .2310 .010 .016 .007 .002 .001 .003 |
|
FeM2 .2554 .0191 .2282 .011 .5720 .010 .016 .007 .002 .001 .003 |
|
MnM2 .2554 .0191 .2282 .011 .0183 .010 .016 .007 .002 .001 .003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V |
|
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 |
|
_database_code_amcsd 0003152 |
|
9.718 8.951 5.250 90 108.50 90 P2_1/c |
|
atom x y z Uiso occ 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 .006 .7010 .006 .005 .006 -.001 .001 -.001 |
|
FeM1 .2505 .6546 .2303 .006 .2736 .006 .005 .006 -.001 .001 -.001 |
|
MnM1 .2505 .6546 .2303 .006 .0086 .006 .005 .006 -.001 .001 -.001 |
|
CaM2 .2554 .0194 .2281 .011 .1803 .009 .015 .007 .002 -.001 .002 |
|
MgM2 .2554 .0194 .2281 .011 .2406 .009 .015 .007 .002 -.001 .002 |
|
FeM2 .2554 .0194 .2281 .011 .5607 .009 .015 .007 .002 -.001 .002 |
|
MnM2 .2554 .0194 .2281 .011 .0184 .009 .015 .007 .002 -.001 .002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lawsonite |
|
Sondergeld P, Schranz W, Troster A, Armbruster T, Giester G, Kityk A, Carpenter M A |
|
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)
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View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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View JMOL 3-D Structure
|
| |
|
Kalsilite |
|
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)
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View JMOL 3-D Structure
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Nepheline |
|
Angel R J, Gatta G C, Boffa Ballaran T, Carpenter M A |
| |
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
|
| |
|
Pigeonite |
|
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
|
| |
|
Pigeonite |
|
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
|
| |
|
Pigeonite |
|
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
|
| |
|
Pigeonite |
|
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
|
| |
|
Pigeonite |
|
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
|
| |
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