Cordierite
Gibbs G V
American Mineralogist 51 (1966) 1068-1087
The polymorphism of cordierite I: The crystal structure of low cordierite
_database_code_amcsd 0000149
17.083 9.738 9.335 90 90 90 Cccm
atom x y z occ Biso
Al1 1/4 1/4 1/4 .22
Si2 0 1/2 1/4 .92 .20
Al2 0 1/2 1/4 .08 .20
Si3 .1923 .0781 0 .26
Si4 .1351 -.2372 0 .23
Al5 .0506 .3084 0 .96 .25
Si5 .0506 .3084 0 .04 .25
Mg .3374 0 1/4 .77 .23
Fe .3374 0 1/4 .23 .23
O1 .2466 -.1040 .3591 .27
O2 .0616 -.4167 .3494 .24
O3 -.1730 -.3091 .3583 .31
O4 .0434 -.2453 0 .25
O5 .1224 .1848 0 .65
O6 .1639 -.0788 0 .54
Wat 0 0 1/4 .48 7.13
Li 0 0 1/4 .12 7.13
Na 0 0 1/4 .10 7.13
Ca 0 0 1/4 .03 7.13
K 0 0 1/4 .02 7.13
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Cordierite
Cohen J P, Ross F K, Gibbs G V
American Mineralogist 62 (1977) 67-78
An X-Ray and neutron diffraction study of hydrous low cordierite
_database_code_amcsd 0000556
17.079 9.730 9.356 90 90 90 Cccm
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si11 .25 .25 .2507 .559 .00052 .00109 .00148 0.00013 0 0
Al11 .25 .25 .2507 .441 .00052 .00109 .00148 0.00013 0 0
Si16 0 .5 .25 .559 .00043 .00202 .00174 0 0 0
Al16 0 .5 .25 .441 .00043 .00202 .00174 0 0 0
Si21 .1926 .0780 0 .559 .00033 .00104 .00201 0.00003 0 0
Al21 .1926 .0780 0 .441 .00033 .00104 .00201 0.00003 0 0
Si26 .0508 .3081 0 .559 .00039 .00124 .00154 0.00002 0 0
Al26 .0508 .3081 0 .441 .00039 .00124 .00154 0.00002 0 0
Si23 -.1352 .2372 0 .559 .00038 .00119 .00168 0.00009 0 0
Al23 -.1352 .2372 0 .441 .00038 .00119 .00168 0.00009 0 0
Mg .1626 .5 .25 .955 .00038 .00165 .00212 0 0 0
Fe .1626 .5 .25 .040 .00038 .00165 .00212 0 0 0
Mn .1626 .5 .25 .005 .00038 .00165 .00212 0 0 0.00005
Na 0 0 0 .050 5.0
K 0 0 0 .020 5.0
Ca 0 0 0 .020 5.0
H1 -.0029 -.0412 .2397 .140 5.0
H2 .0174 .0833 .3050 .140 5.0
O11 .2473 .1028 .1422 .00073 .00160 .00253 0.00010 -.00032 -.00013
O16 .0623 .4161 .1512 .00052 .00214 .00231 0.00009 -.00007 -.00075
O13 -.1733 .3103 .1416 .00065 .00206 .00231 -.00017 0.00027 -.00061
O21 .1222 .1844 0 .00070 .00242 .00437 0.00061 0 0
O26 -.0432 .2478 0 .00041 .00336 .00410 -.00026 0 0
O23 -.1646 .0796 0 .00093 .00133 .00421 -.00032 0 0
OW .027 0 .25 .280 9.8
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Cordierite
Hochella M F, Brown G E, Ross F K, Gibbs G V
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 375 C
_database_code_amcsd 0000706
17.113 9.741 9.358 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg .1622 .5 .25 .955 .00075 .00259 .00436 0 0 .00010
Fe .1622 .5 .25 .045 .00075 .00259 .00436 0 0 .00010
Al11 .25 .25 .2500 .00093 .00224 .00272 .00022 0 0
Si16 0 .5 .25 .00060 .00245 .00228 0 0 0
Si21 .1920 .0783 0 .00060 .00155 .00239 .00011 0 0
Al26 .0506 .3076 0 .00062 .00220 .00268 .00021 0 0
Si23 -.1351 .2369 0 .00057 .00176 .00247 -.00014 0 0
O11 .2470 .1036 .1407 .00137 .00277 .00308 .00024 -.00040 -.00068
O16 .0620 .4166 .1512 .00090 .00376 .00331 .00024 -.00016 -.00150
O13 -.1736 .3090 .1418 .00111 .00342 .00285 -.00026 .00036 -.00090
O21 .1220 .1846 0 .00135 .00368 .00718 .00133 0 0
O26 -.0434 .2478 0 .00069 .00594 .00711 -.00031 0 0
O23 -.1641 .0793 0 .00163 .00189 .00779 -.00076 0 0
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Cordierite
Hochella M F, Brown G E, Ross F K, Gibbs G V
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 775 C
_database_code_amcsd 0000707
17.149 9.759 9.352 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg .1626 .5 .25 .955 .00109 .00385 .00655 0 0 .00030
Fe .1626 .5 .25 .045 .00109 .00385 .00655 0 0 .00030
Al11 .25 .25 .25 .00125 .00363 .00429 .00035 0 0
Si16 0 .5 .25 .00088 .00352 .00342 0 0 0
Si21 .1917 .0785 0 .00087 .00240 .00373 .00013 0 0
Al26 .0500 .3070 0 .00091 .00335 .00382 .00027 0 0
Si23 -.1347 .2363 0 .00086 .00273 .00340 -.00040 0 0
O11 .2468 .1042 .1398 .00217 .00414 .00450 .00016 -.00122 -.00095
O16 .0619 .4159 .1510 .00122 .00550 .00545 .00023 -.00073 -.00234
O13 -.1734 .3082 .1422 .00179 .00501 .00549 -.00055 .00095 -.00140
O21 .1216 .1843 0 .00165 .00615 .01206 .00217 0 0
O26 -.0438 .2484 0 .00122 .00883 .00875 -.00014 0 0
O23 -.1630 .0778 0 .00243 .00298 .00850 -.00155 0 0
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Cordierite
Hochella M F, Brown G E, Ross F K, Gibbs G V
American Mineralogist 64 (1979) 337-351
High-temperature crystal chemistry of hydrous Mg- and Fe-cordierite
White Well, T = 24 C afer heating.
_database_code_amcsd 0000708
17.119 9.746 9.361 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg .1624 .5 .25 .955 .00044 .00122 .00225 0 0 0
Fe .1624 .5 .25 .045 .00044 .00122 .00225 0 0 0
Al11 .25 .25 .2502 .00051 .00106 .00174 .00015 0 0
Si16 0 .5 .25 .00033 .00170 .00135 0 0 0
Si21 .1924 .0778 0 .00032 .00091 .00167 .00001 0 0
Al26 .0508 .3079 0 .00032 .00124 .00153 .00005 0 0
Si23 -.1352 .2374 0 .00023 .00133 .00141 -.00013 0 0
O11 .2473 .1034 .1409 .00066 .00282 .00153 .00003 -.00031 -.00011
O16 .0623 .4166 .1513 .00057 .00215 .00198 -.00003 -.00010 -.00072
O13 -.1733 .3102 .1414 .00060 .00174 .00209 -.00020 .00021 -.00039
O21 .1222 .1844 0 .00073 .00178 .00401 .00061 0 0
O26 -.0432 .2487 0 .00058 .00261 .00360 -.00033 0 0
O23 -.1646 .0803 0 .00088 .00140 .00412 -.00002 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 1542 mono
Locality: Passo di Mello, Bergell Alps, Switzerland
_database_code_amcsd 0000763
17.044 9.716 9.334 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33742 0 .25 .900 .00041 .00121 .00193 0 0 -.00001
Fe1 .33742 0 .25 .068 .00041 .00121 .00193 0 0 -.00001
Al1 .25 .25 .25006 .962 .00044 .00096 .00104 0.00023 0 0
Si2 0 .5 .25 .876 .00028 .00115 .00076 0 0 0
Al2 0 .5 .25 .097 .00028 .00115 .00076 0 0 0
Si3 .19252 .07803 0 .963 .00031 .00069 .00102 0.00004 0 0
Si4 .13516 -.23731 0 .970 .00025 .00090 .00099 -.00005 0 0
Al5 .05083 .30791 0 .911 .00028 .00085 .00110 0.00008 0 0
Si5 .05083 .30791 0 .048 .00028 .00085 .00110 0.00008 0 0
O1 .24722 -.10301 .35881 .00078 .00155 .00176 -.00016 0.00032 -.00025
O2 .06220 -.41620 .34910 .00054 .00232 .00184 -.00014 0.00004 -.00057
O3 -.17326 -.31006 .35854 .00067 .00203 .00179 0.00023 -.00024 -.00026
O4 .04321 -.24815 0 .00051 .00299 .00371 -.00011 0 0
O5 .12231 .18464 0 .00074 .00239 .00361 0.00047 0 0
O6 .16468 -.07957 0 .00091 .00151 .00415 -.00027 0 0
OH1 0 0 .25 .740 .051 .026 0.011 0 0 0
OH2 0 0 0 .120 .001 -.001 0.510 0.002 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 1542 filter
Locality: Passo di Mello, Bergell Alps, Switzerland
_database_code_amcsd 0000764
17.044 9.716 9.334 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33739 0 .25 .886 .00037 .00120 .00175 0 0 -.00005
Fe1 .33739 0 .25 .068 .00037 .00120 .00175 0 0 -.00005
Al1 .25008 .25 .25010 .954 .00042 .00093 .00100 0.00016 0 0
Si2 0 .5 .25 .864 .00031 .00098 .00079 0 0 0
Al2 0 .5 .25 .096 .00031 .00098 .00079 0 0 0
Si3 .19252 .07796 0 .960 .00031 .00076 .00093 0.00001 0 0
Si4 .13517 -.23732 0 .958 .00033 .00083 .00098 -.00007 0 0
Al5 .05077 .30786 0 .913 .00033 .00099 .00106 0.00006 0 0
Si5 .05077 .30786 0 .048 .00033 .00099 .00106 0.00006 0 0
O1 .24723 -.10292 .35868 .00088 .00154 .00172 -.00011 0.00030 -.00026
O2 .06229 -.41627 .34908 .00059 .00221 .00185 -.00010 0.00011 -.00057
O3 -.17321 -.31005 .35851 .00076 .00193 .00185 0.00012 -.00030 -.00047
O4 .04305 -.24824 0 .00053 .00334 .00339 -.00015 0 0
O5 .12213 .18479 0 .00069 .00237 .00378 0.00063 0 0
O6 .16474 -.07956 0 .00102 .00127 .00387 -.00026 0 0
OH1 0 0 .25 .770 0.050 0.028 0.012 0 0 0
OH2 0 0 0 .080 -.001 -.004 0.320 0.00230 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample Brg 50
Locality: Alpe Lera Sura, Bergell Alps, Switzerland
_database_code_amcsd 0000765
17.089 9.737 9.344 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33734 0 .25 .883 .00025 .00112 .00160 0 0 -.00007
Fe1 .33734 0 .25 .090 .00025 .00112 .00160 0 0 -.00007
Al1 .25011 .25 .25010 .960 .00033 .00102 .00110 0.00017 0 0
Si2 0 .5 .25 .871 .00028 .00113 .00084 0 0 0
Al2 0 .5 .25 .097 .00028 .00113 .00084 0 0 0
Si3 .19236 .078030 0 .963 .00029 .00073 .00098 0 0 0
Si4 .13526 -.23704 0 .965 .00021 .00089 .00102 -.00006 0 0
Al5 .05077 .307950 0 .903 .00019 .00096 .00099 0.00008 0 0
Si5 .05077 .307950 0 .048 .00019 .00096 .00099 0.00008 0 0
O1 .24695 -.10317 .35876 .00082 .00171 .00169 -.00007 0.00025 -.00019
O2 .06199 -.41601 .34877 .00058 .00227 .00193 -.00010 0.00001 -.00067
O3 -.17335 -.30949 .35847 .00062 .00214 .00185 0.00022 -.00018 -.00043
O4 .04332 -.24787 0 .00058 .00338 .00388 -.00010 0 0
O5 .12217 .184140 0 .00090 .00230 .00374 0.00045 0 0
O6 .16438 -.07957 0 .00099 .00143 .00378 -.00031 0 0
OH1 0 0 .25 .600 .032 .024 .017 0 0 0
OH2 0 0 0 .110 .002 .006 .010 0.002 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 624
Locality: Debris SW Cap Brasca, Bergell Alps, Switzerland
_database_code_amcsd 0000766
17.088 9.726 9.335 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33751 0 .25 .816 .00032 .00109 .00174 0 0 0.00008
Fe1 .33751 0 .25 .130 .00032 .00109 .00174 0 0 0.00008
Al1 .25 .25 .25006 .964 .00041 .00097 .00111 0.00013 0 0
Si2 0 .5 .25 .853 .00020 .00091 .00075 0 0 0
Al2 0 .5 .25 .095 .00020 .00091 .00075 0 0 0
Si3 .19234 .077810 0 .970 .00030 .00072 .00101 0.00008 0 0
Si4 .13511 -.23714 0 .971 .00025 .00090 .00104 -.00009 0 0
Al5 .05059 .307700 0 .928 .00029 .00109 .00115 0.00006 0 0
Si5 .05059 .307700 0 .049 .00029 .00109 .00115 0.00006 0 0
O1 .24695 -.10288 .35874 .00074 .00167 .00159 -.00018 .00045 -.00027
O2 .06208 -.41554 .34870 .00049 .00215 .00179 -.00013 -.00003 -.00088
O3 -.17323 -.30982 .35824 .00059 .00200 .00185 0.00015 -.00023 -.00053
O4 .04334 -.24887 0 .00035 .00332 .00351 -.00027 0 0
O5 .12219 .184810 0 .00065 .00219 .00383 0.00058 0 0
O6 .16431 -.07930 0 .00089 .00118 .00388 -.00037 0 0
OH1 0 0 .25 .960 .220 .018 .075 0 0 0
OH2 0 0 0 .260 .015 .022 .057 0.001 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 1018
Locality: Vallun Trubinasca, Bergell Alps, Switzerland
_database_code_amcsd 0000767
17.114 9.761 9.333 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33734 0 .25 .626 .00037 .00125 .00187 0 0 -.00001
Fe1 .33734 0 .25 .626 .00037 .00125 .00187 0 0 -.00001
Al1 .25 .25 .25011 .970 .00048 .00124 .00110 0.00016 0 0
Si2 0 .5 .25 .884 .00030 .00142 .00094 0 0 0
Al2 0 .5 .25 .098 .00030 .00142 .00094 0 0 0
Si3 .19170 .078390 0 .966 .00030 .00085 .00104 0.00003 0 0
Si4 .13508 -.23636 0 .960 .00028 .00093 .00096 -.00008 0 0
Al4 .05046 .307770 0 .899 .00024 .00099 .00097 0.00006 0 0
Si5 .05046 .307770 0 .047 .00024 .00099 .00097 0.00006 0 0
O1 .24623 -.10370 .35868 .00083 .00171 .00176 -.00008 0.00037 -.00019
O2 .06172 -.41580 .34874 .00059 .00239 .00184 -.00012 0.00006 -.00075
O3 -.17323 -.30846 .35841 .00067 .00221 .00171 0.00013 -.00025 -.00046
O4 .04332 -.24703 0 .00044 .00365 .00384 -.00018 0 0
O5 .12135 .183910 0 .00087 .00263 .00375 0.00077 0 0
O6 .16390 -.07889 0 .00102 .00136 .00398 -.00043 0 0
OH1 0 0 .25 .42 .0059 .0160 .0082 0 0 0
OH2 0 0 0 .16 .0001 .0026 .0110 -.0005 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 1104
Locality: SW Mte. Rosso, Bergell Alps, Switzerland
_database_code_amcsd 0000768
17.098 9.741 9.319 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33735 0 .25 .581 .00028 .00118 .00174 0 0 0.00002
Fe1 .33735 0 .25 .366 .00028 .00118 .00174 0 0 0.00002
Al1 .25 .25 .25002 .969 .00043 .00128 .00110 0.00014 0 0
Si2 0 .5 .25 .881 .00035 .00128 .00097 0 0 0
Al2 0 .5 .25 .098 .00035 .00128 .00097 0 0 0
Si3 .19150 .078530 0 .967 .00031 .00090 .00096 0.00003 0 0
Si4 .13506 -.23592 0 .962 .00027 .00096 .00089 -.00011 0 0
Al5 .05024 .307510 0 .906 .00024 .00133 .00096 0.00009 0 0
Si5 .05024 .307510 0 .048 .00024 .00133 .00096 0.00009 0 0
O1 .24584 -.10367 .35849 .00083 .00175 .00187 0.00000 0.00038 -.00012
O2 .06148 -.41534 .34882 .00063 .00246 .00170 -.00017 0.00003 -.00067
O3 -.17319 -.30796 .35827 .00059 .00224 .00190 0.00019 -.00024 -.00047
O4 .04344 -.24735 0 .00052 .00358 .00415 -.00012 0 0
O5 .12149 .18412 0 .00088 .00261 .00366 0.00064 0 0
O6 .16373 -.07855 0 .00096 .00198 .00355 -.00034 0 0
OH1 0 0 .25 .65 .0280 .024 .017 0 0 0
OH2 0 0 0 .12 .0003 .003 .004 0 0 0
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Cordierite
Wallace J H, Wenk H R
American Mineralogist 65 (1980) 96-111
Structure variation in low cordierites
Note: sample sci 552
Locality: contact of Bergell granite, Switzerland
_database_code_amcsd 0000769
17.140 9.769 9.321 90 90 90 Cccm
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg1 .33733 0 .25 .588 .00028 .00127 .00211 0 0 -.00003
Fe1 .33733 0 .25 .386 .00028 .00127 .00211 0 0 -.00003
Al1 .25 .25 .25006 .978 .00044 .00142 .00143 0.00013 0 0
Si2 0 .5 .25 .880 .00026 .00126 .00109 0 0 0
Al2 0 .5 .25 .098 .00026 .00126 .00109 0 0 0
Si3 .19135 .078440 0 .983 .00029 .00102 .00140 0.00005 0 0
Si4 .13502 -.23589 0 .969 .00023 .00122 .00124 -.00009 0 0
Al5 .05032 .307490 0 .901 .00016 .00117 .00126 0.00007 0 0
Si5 .05032 .307490 0 .047 .00016 .00117 .00126 0.00007 0 0
O1 .24563 -.10374 .35836 .00074 .00191 .00206 -.00006 0.00035 -.00005
O2 .06144 -.41538 .34922 .00054 .00240 .00223 -.00015 0.00013 -.00086
O3 -.17322 -.30721 .35803 .00059 .00228 .00212 0.00019 -.00017 -.00036
O4 .04348 -.24780 0 .00036 .00383 .00446 -.00023 0 0
O5 .12130 .184190 0 .00079 .00259 .00409 0.00056 0 0
O6 .16362 -.07814 0 .00084 .00175 .00394 -.00017 0 0
OH1 0 0 .25 .60 .018 .025 .019 0 0 0
OH2 0 0 0 .12 .002 .001 .009 0 0 0
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Cordierite
Armbruster T
American Mineralogist 71 (1986) 746-757
Role of Na in the structure of low-cordierite: A single-crystal X-ray study
Sample: from Alpe Sponda, Central Alps, Switzerland
_database_code_amcsd 0001017
17.060 9.759 9.322 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24614 -.10433 .35857 .0118 .0086 .0094 -.0005 .0029 -.0009
O16 .06196 -.41577 .34876 .0074 .0113 .0094 -.0008 .0000 -.0033
O13 -.17344 -.30866 .35804 .0100 .0105 .0095 .0016 -.0011 -.0026
O26 .04328 -.24612 0 .0059 .0163 .0196 -.0021 0 0
O21 .12039 .18225 0 .0119 .0127 .0187 .0058 0 0
O23 .16356 -.07844 0 .0136 .0065 .0192 -.0031 0 0
Al11 .25 .25 .25010 .92 .0083 .0068 .0078 .0012 0 0
Be11 .25 .25 .25010 .08 .0083 .0068 .0078 .0012 0 0
Si16 0 .5 .25 .0063 .0072 .0062 0 0 0
Si21 .19177 .07870 0 .0062 .0050 .0074 .0002 0 0
Si23 -.13562 .23649 0 .0056 .0058 .0076 -.0005 0 0
Al26 .05051 .30825 0 .0058 .0062 .0068 .0005 0 0
Mg .33632 0 .25 .7 .0086 .0112 .0112 .0002 0 0
Fe .33632 0 .25 .3 .0086 .0112 .0112 .0002 0 0
NaCh0 0 0 0 .25 .033 .022 .049 .0030 0 0
OHCh1 0 0 .25 .6 .109 .054 .054 0 0 0
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Cordierite
Armbruster T
American Mineralogist 71 (1986) 746-757
Role of Na in the structure of low-cordierite: A single-crystal X-ray study
Sample: from Kemio Island, Finland
_database_code_amcsd 0001018
17.065 9.797 9.293 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24458 -.10606 .35763 .0135 .0095 .0106 .0001 .0041 -.0001
O16 .06148 -.41548 .34870 .0096 .0115 .0096 -.0013 .0010 -.0034
O13 -.17377 -.30681 .35715 .0116 .0118 .0102 .0011 -.0017 -.0035
O26 .04344 -.24302 0 .0066 .0167 .0203 -.0017 0 0
O21 .11723 .17903 0 .0124 .0128 .0214 .0057 0 0
O23 .16260 -.07703 0 .0150 .0070 .0221 -.0035 0 0
Al11 .25 .25 .25007 .8 .0080 .0070 .0077 .0010 0 0
Be11 .25 .25 .25007 .2 .0080 .0070 .0077 .0010 0 0
Si16 0 .5 .25 .0068 .0075 .0067 0 0 0
Si21 .19092 .07963 0 .0063 .0058 .0087 .0003 0 0
Si23 -.13639 .23546 0 .0060 .0063 .0091 -.0006 0 0
Al26 .04994 .30859 0 .0059 .0064 .0077 .0008 0 0
Mg .33488 0 .25 .38 .0057 .0125 .0091 .0001 0 0
Fe .33488 0 .25 .55 .0057 .0125 .0091 .0001 0 0
Li .33488 0 .25 .07 .0057 .0125 .0091 .0001 0 0
NaCh0 0 0 0 .47 .028 .020 .047 .0000 0 0
OHCh1 0 0 .25 .8 .088 .050 .033 0 0 0
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Cordierite
Armbruster T
American Mineralogist 71 (1986) 746-757
Role of Na in the structure of low-cordierite: A single-crystal X-ray study
Sample: from a pelitic schist, south-central Maine, USA (Ferry)
_database_code_amcsd 0001019
17.056 9.783 9.335 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24549 -.10446 .35842 .0121 .0083 .0073 -.0006 .0029 -.0006
O16 .06140 -.41540 .34868 .0078 .0120 .0081 -.0019 .0002 -.0036
O13 -.17273 -.30701 .35842 .0096 .0107 .0071 .0025 -.0018 -.0019
O26 .04256 -.24250 0 .0059 .0161 .0189 -.0013 0 0
O21 .11916 .18157 0 .0138 .0121 .0179 .0065 0 0
O23 .16287 -.07747 0 .0147 .0075 .0188 -.0037 0 0
Al11 .25 .25 .25018 .92 .0087 .0078 .0053 .0007 0 0
Be11 .25 .25 .25018 .08 .0087 .0078 .0053 .0007 0 0
Si16 0 .5 .25 .0066 .0073 .0047 0 0 0
Si21 .19140 .07894 0 .0054 .0048 .0056 .0003 0 0
Si23 -.13524 .23542 0 .0049 .0057 .0054 -.0011 0 0
Al26 .05052 .30935 0 .0048 .0063 .0055 .0006 0 0
Mg .33680 0 .25 .53 .0059 .0069 .0087 .0002 0 0
Fe .33680 0 .25 .29 .0059 .0069 .0087 .0002 0 0
Li .33680 0 .25 .18 .0059 .0069 .0087 .0002 0 0
NaCh0 0 0 0 .36 .024 .016 .041 .0020 0 0
OHCh1 0 0 .25 .85 .123 .059 .035 0 0 0
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Cordierite
Armbruster T
American Mineralogist 71 (1986) 746-757
Role of Na in the structure of low-cordierite: A single-crystal X-ray study
Sample: from Haddam, Connecticut, USA
_database_code_amcsd 0001020
17.054 9.759 9.324 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24592 -.10438 .35850 .0120 .0080 .0083 -.0004 .0035 -.0007
O16 .06187 -.41574 .34885 .0083 .0102 .0081 -.0014 .0003 -.0032
O13 -.17331 -.30849 .35792 .0094 .0102 .0086 .0011 -.0017 -.0028
O26 .04315 -.24496 0 .0062 .0143 .0190 -.0016 0 0
O21 .11975 .18176 0 .0121 .0114 .0181 .0061 0 0
O23 .16350 -.07847 0 .0144 .0059 .0185 -.0035 0 0
Al11 .25 .25 .25011 .92 .0076 .0061 .0061 .0010 0 0
Be11 .25 .25 .25011 .08 .0076 .0061 .0061 .0010 0 0
Si16 0 .5 .25 .0060 .0066 .0048 0 0 0
Si21 .19179 .07870 0 .0055 .0045 .0061 .0002 0 0
Si23 -.13563 .23635 0 .0051 .0052 .0063 -.0006 0 0
Al26 .05052 .30856 0 .0051 .0058 .0057 .0006 0 0
Mg .33622 0 .25 .66 .0067 .0093 .0085 .0000 0 0
Fe .33622 0 .25 .29 .0067 .0093 .0085 .0000 0 0
Li .33622 0 .25 .05 .0067 .0093 .0085 .0000 0 0
NaCh0 0 0 0 .27 .024 .011 .041 .0010 0 0
OHCh1 0 0 .25 .75 .128 .066 .049 0 0 0
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Cordierite
Geiger C A, Armbruster T, Khomenko V, Quartieri S
American Mineralogist 85 (2000) 1255-1264
Cordierite I: The coordination of Fe2+
Sample: DA-1
_database_code_amcsd 0002493
17.072 9.727 9.351 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si21 .30746 .07779 0 .0050 .0039 .0056 -.00013 0 0
Si16 0 0 .25 .0051 .0059 .0051 0 0 0
Si23 .36489 .23727 .5 .0047 .0044 .0056 -.00059 0 0
Al26 .05090 .19210 0 .0045 .0052 .0059 -.00040 0 0
Al11 .25 .25 .25021 .0072 .0052 .0061 -.00169 0 0
MgM .16264 0 .25 .930 .0056 .0059 .0081 0 0 .0000
FeM .16264 0 .25 .070 .0056 .0059 .0081 0 0 .0000
NaCH0 .5 0 .5 .09 .04118 .02585 .06546 .00249 0 0
OCH1 .5 0 .25 .32 .09435 .09373 .04963 0 0 0
OCH2 .440 0 .25 .13 .04386 .13710 .03721 0 0 -.01927
O16 .06225 .08387 .15115 .0068 .0091 .0082 -.0010 -.0001 .0031
O11 .25272 .10278 .14116 .0104 .0067 .0075 -.0005 .0036 -.0007
O13 .32679 .31010 .64158 .0090 .0088 .0082 -.0013 .0020 -.0029
O21 .37770 .1845 0 .0097 .0100 .0171 -.0063 0 0
O26 .45699 .2475 .5 .0050 .0158 .0166 -.0025 0 0
O23 .33548 -.0793 0 .0133 .0048 .0173 .0029 0 0
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Cordierite
Geiger C A, Armbruster T, Khomenko V, Quartieri S
American Mineralogist 85 (2000) 1255-1264
Cordierite I: The coordination of Fe2+
Sample: 42/IA
_database_code_amcsd 0002494
17.069 9.725 9.347 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si21 .30750 .07774 0 .00472 .00409 .0052 -.00028 0 0
Si16 0 0 .25 .0047 .0063 .0047 0 0 0
Si23 .36487 .23734 .5 .00417 .0050 .0054 -.00073 0 0
Al26 .05089 .19218 0 .0042 .0055 .0053 -.00066 0 0
Al11 .25 .25 .25025 .0069 .0053 .0057 -.00143 0 0
MgM .16262 0 .25 .918 .0055 .0061 .0079 0 0 .00004
FeM .16262 0 .25 .082 .0055 .0061 .0079 0 0 .00004
NaCH0 .5 0 .5 .07 .02378 .02869 .04720 .00059 0 0
OCH1 .5 0 .25 .31
OCH2 .446 0 .25 .14
O16 .06224 .08396 .15096 .0067 .0098 .0074 -.0013 .0001 .0036
O11 .25279 .10285 .14133 .0103 .0072 .0072 -.0007 .0033 -.0009
O13 .32678 .31029 .64167 .0084 .0093 .0076 -.0014 .0017 -.0023
O21 .37769 .1844 0 .0097 .0102 .0153 -.0056 0 0
O26 .45701 .2475 .5 .0050 .0159 .0158 -.0020 0 0
O23 .33551 -.07960 0 .0132 .0049 .0161 .0029 0 0
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Cordierite
Geiger C A, Armbruster T, Khomenko V, Quartieri S
American Mineralogist 85 (2000) 1255-1264
Cordierite I: The coordination of Fe2+
Sample: C005
_database_code_amcsd 0002495
17.101 9.736 9.331 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si21 .30792 .07805 0 .00535 .00402 .00546 -.00028 0 0
Si16 0 0 .25 .0052 .0064 .0052 0 0 2
Si23 .36486 .23691 .5 .0047 .0049 .0052 -.00059 0 0
Al26 .05055 .19245 0 .0047 .00545 .0054 -.00035 0 0
Al11 .25 .25 .25005 .00743 .00561 .0055 -.00119 0 0
MgM .16248 0 .25 .0058 .0060 .0084 0 0 -.0000
CH0 .5 0 .5
CH1 .5 0 .25
CH2 .45272 0 .25
O16 .06208 .08413 .15114 .0073 .0096 .0079 -.0011 -.0002 .0
O11 .25328 .10318 .14144 .0108 .0072 .0072 -.0007 .0036 -.0
O13 .32664 .30963 .64171 .0088 .0088 .0074 -.0016 .0020 -.0
O21 .37794 .18492 0 .0097 .0099 .0164 -.0055 0 0
O26 .45664 .24873 .5 .0045 .0150 .0161 -.0022 0 0
O23 .33579 -.07929 0 .0132 .0052 .0171 .0031 0 0
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Cordierite
Sokol E V, Seryotkin Y V, Bul'bak T A
European Journal of Mineralogy 22 (2010) 565-575
Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia
Locality: Murzinka pegmatite field, MIddle Ural Mountains, Russia
_database_code_amcsd 0017555
17.0046 9.73133 9.31989 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)
Na 0 0 0 .235 .028 .031 .012 .041 .001 0 0
Wat 0 0 .25 .646 .098 .151 .088 .055 0 0 0
MnM .33634 0 .25 .01 .00896 .0073 .0098 .0098 0 0 .00013
LiM .33634 0 .25 .03 .00896 .0073 .0098 .0098 0 0 .00013
FeM .33634 0 .25 .13 .00896 .0073 .0098 .0098 0 0 .00013
MgM .33634 0 .25 .83 .00896 .0073 .0098 .0098 0 0 .00013
FeT1 .25 .25 .25013 .02 .00804 .0092 .0074 .0075 .00105 0 0
BeT1 .25 .25 .25013 .08 .00804 .0092 .0074 .0075 .00105 0 0
AlT1 .25 .25 .25013 .90 .00804 .0092 .0074 .0075 .00105 0 0
SiT1 .5 0 .25 .00641 .0063 .0068 .0061 0 0 0
AlT2 .05067 .30862 0 .00613 .0059 .0062 .0063 .00057 0 0
SiT2 .19207 .07856 0 .00603 .0059 .0052 .0069 .00009 0 0
SiT2 .13576 .23679 .5 .00602 .0058 .0057 .0066 .00062 0 0
O1 .24647 .10427 .14143 .0096 .0120 .0085 .0084 .0003 -.0026 -.0002
O2 .17344 .30910 .35836 .0097 .0098 .0105 .0089 .0015 .0012 .0019
O3 .06214 .41602 .15108 .0094 .0080 .0113 .0089 .0011 -.0002 -.0027
O4 .12035 .18247 0 .0146 .0125 .0115 .0197 .0060 0 0
O5 .16398 -.07867 0 .0130 .0135 .0072 .0182 -.0035 0 0
O6 -.04327 .24567 0 .0138 .0064 .0165 .0186 -.0012 0 0
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Cordierite
Armbruster T
Physics and Chemistry of Minerals 12 (1985) 233-245
Ar, N2, CO2 in the structural cavities of cordierite,
an optical and X-ray single-crystal study
Sample: White Well Ar
_database_code_amcsd 0007365
17.069 9.718 9.355 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24705 -.10287 .35888 .0098 .0065 .0072 -.0010 .0030 -.0010
O16 .06241 -.41625 .34866 .0065 .0088 .0075 -.0008 .0000 -.0030
O13 -.17361 -.31026 .35840 .0085 .0076 .0074 .0014 -.0022 -.0020
O26 .04355 -.25090 0 .0056 .0135 .0149 -.0018 0 0
O21 .12229 .18525 0 .0097 .0092 .0149 .0045 0 0
O23 .16385 -.07954 0 .0133 .0042 .0157 -.0032 0 0
AlT11 .25 .25 .24983 .0079 .0047 .0053 .0011 0 0
SiT16 0 .5 .25 .0049 .0056 .0047 0 0 0
SiT21 .19233 .07803 0 .0054 .0034 .0054 .0001 0 0
SiT23 -.13530 .23787 0 .0047 .0042 .0051 -.0007 0 0
AlT26 .05080 .30851 0 .0046 .0047 .0053 .0006 0 0
MgM .33733 0 .25 .955 .0067 .0063 .0091 0 0 -.0002
FeM .33733 0 .25 .045 .0067 .0063 .0091 0 0 -.0002
MnM .33733 0 .25 .005 .0067 .0063 .0091 0 0 -.0002
NaChO 0 0 .25 .05 .05 .03 .09 0 0 0
ArCh1/4 0 0 .25 .72 .095 .051 .045 0 0 0
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Cordierite
Armbruster T
Physics and Chemistry of Minerals 12 (1985) 233-245
Ar, N2, CO2 in the structural cavities of cordierite,
an optical and X-ray single-crystal study
Sample: White Well N2
_database_code_amcsd 0007366
17.069 9.722 9.359 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24715 -.10283 .35880 .0087 .0070 .0070 -.0009 .0026 -.0008
O16 .06247 -.41634 .34886 .0071 .0092 .0071 -.0008 -.0001 -.0030
O13 -.17361 -.31038 .35843 .0085 .0082 .0066 .0013 -.0020 -.0015
O26 .04328 -.25020 0 .0055 .0143 .0144 -.0019 0 0
O21 .12240 .18528 0 .0095 .0099 .0151 .0049 0 0
O23 .16412 -.07946 0 .0133 .0050 .0151 -.0027 0 0
AlT11 .25 .25 .24993 .0065 .0051 .0049 .0013 0 0
SiT16 0 .5 .25 .0048 .0058 .0046 0 0 0
SiT21 .19240 .07796 0 .0048 .0039 .0047 .0001 0 0
SiT23 -.13535 .23772 0 .0040 .0049 .0048 -.0006 0 0
AlT26 .05078 .30847 0 .0045 .0050 .0047 .0006 0 0
MgM .33738 0 .25 .955 .0069 .0069 .0088 0 0 -.0000
FeM .33738 0 .25 .045 .0069 .0069 .0088 0 0 -.0000
MnM .33738 0 .25 .005 .0069 .0069 .0088 0 0 -.0000
NaCho 0 0 .25 .05 .19 .02 .15 0 0 0
NCh1/4a .0265 0 .25 .6 .085 .128 .052 0 0 -.005
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Cordierite
Armbruster T
Physics and Chemistry of Minerals 12 (1985) 233-245
Ar, N2, CO2 in the structural cavities of cordierite,
an optical and X-ray single-crystal study
Sample: White Well CO2
_database_code_amcsd 0007367
17.062 9.722 9.356 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24739 -.10309 .35886 .0097 .0070 .0070 -.0007 .0029 -.0010
O16 .06233 -.41610 .34913 .0066 .0091 .0073 -.0010 .0002 -.0030
O13 -.17330 -.31015 .35852 .0083 .0080 .0074 .0015 -.0018 -.0019
O26 .04310 -.24773 0 .0050 .0146 .0149 -.0018 0 0
O21 .12237 .18490 0 .0100 .0097 .0155 .0052 0 0
O23 .16465 -.07953 0 .0120 .0053 .0162 -.0029 0 0
AlT11 .25 .25 .25017 .0071 .0052 .0054 .0012 0 0
SiT16 0 .5 .25 .0047 .0058 .0047 0 0 0
SiT21 .19261 .07809 0 .0049 .0037 .0050 .0002 0 0
SiT23 -.13523 .23724 0 .0044 .0043 .0051 -.0007 0 0
AlT26 .05091 .30805 0 .0043 .0052 .0052 .0006 0 0
MgM .33730 0 .25 .955 .0063 .0064 .0084 0 0 .0000
FeM .33730 0 .25 .045 .0063 .0064 .0084 0 0 .0000
MnM .33730 0 .25 .005 .0063 .0064 .0084 0 0 .0000
NaChO 0 0 .25 .05 .03 .03 .04 0 0 0
CCh1/4 0 0 .25 .45 .044 .048 .049 0 0 0
OCh1/4a .0616 0 .25 .45 .18 .39 .09 0 0 -.05
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Cordierite
Armbruster T
Physics and Chemistry of Minerals 12 (1985) 233-245
Ar, N2, CO2 in the structural cavities of cordierite,
an optical and X-ray single-crystal study
Sample: Ruby Island natural
_database_code_amcsd 0007368
17.066 9.722 9.345 90 90 90 Cccm
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O11 .24747 -.10311 .35888 .0110 .0076 .0066 -.0009 .0024 -.0007
O16 .06232 -.41636 .34882 .0077 .0102 .0078 -.0008 -.0001 -.0029
O13 -.17343 -.31011 .35848 .0099 .0086 .0079 .0012 -.0016 -.0015
O26 .04317 -.24765 0 .0074 .0149 .0161 -.0022 0 0
O21 .12235 .18473 0 .0117 .0109 .0164 .0049 0 0
O23 .16477 -.07966 0 .0140 .0062 .0168 -.0026 0 0
AlT11 .25 .25 .25014 .0085 .0064 .0063 .0013 0 0
SiT16 0 .5 .25 .0060 .0070 .0056 0 0 0
SiT21 .19268 .07800 0 .0065 .0049 .0054 .0002 0 0
SiT23 -.13523 .23722 0 .0056 .0057 .0052 -.0006 0 0
AlT26 .05086 .30802 0 .0056 .0061 .0058 .0007 0 0
MgM .33737 0 .25 .0069 .0065 .0078 0 0 .0001
NaChO 0 0 .25 .05 .02 .03 .03 0 0 0
OCh1/4 0 0 .25 .3 .07 .060 .036 0 0 0
OCh1/4a .0617 0 .25 .2 .07 .13 .019 0 0 -.014
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 0.1 MPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007383
17.071 9.715 9.344 90 90 90 Cccm
atom x y z Uiso
Mg .16248 .5 .25 .0088
Al11 .25 .25 .2505 .0075
Si16 0 .5 .25 .0067
Si21 .19281 .0782 0 .0053
Al26 .0506 .3085 0 .0062
Si23 -.13544 .2376 0 .0060
O11 .2468 .1029 .1407 .0083
O16 .0625 .4156 .1506 .0084
O13 -.1733 .3100 .1413 .0077
O21 .1226 .1846 0 .0112
O26 -.0433 .2491 0 .0117
O23 -.1638 .0803 0 .0135
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 0.3 GPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007384
17.058 9.724 9.336 90 90 90 Cccm
atom x y z Uiso
Mg .1629 .5 .25 .0146
Al11 .25 .25 .2493 .0138
Si16 0 .5 .25 .0133
Si21 .1938 .0778 0 .0133
Al26 .0501 .3073 0 .0096
Si23 -.1354 .2376 0 .0117
O11 .2483 .1038 .1416 .0125
O16 .0611 .4167 .1509 .0172
O13 -.1737 .3088 .1424 .0209
O21 .1223 .1880 0 .0217
O26 -.0440 .2515 0 .0092
O23 -.1646 .0793 0 .0153
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 0.9 GPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007385
17.040 9.702 9.320 90 90 90 Cccm
atom x y z Uiso
Mg .1626 .5 .25 .0069
Al11 .25 .25 .2500 .0074
Si16 0 .5 .25 .0063
Si21 .1930 .0780 0 .0055
Al26 .0509 .3077 0 .0058
Si23 -.1352 .2378 0 .0064
O11 .2473 .1032 .1416 .0071
O16 .0618 .4158 .1511 .0084
O13 -.1733 .3110 .1410 .0067
O21 .1228 .1842 0 .0100
O26 -.0431 .2485 0 .0116
O23 -.1650 .0795 0 .0099
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 1.2 GPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007386
17.013 9.680 9.3035 90 90 90 Cccm
atom x y z Uiso
Mg .1622 .5 .25 .0069
Al11 .25 .25 .2503 .0072
Si16 0 .5 .25 .0061
Si21 .1930 .0779 0 .0042
Al26 .0506 .3083 0 .0051
Si23 -.1351 .2374 0 .0057
O11 .2474 .1031 .1421 .0068
O16 .0624 .4154 .1506 .0078
O13 -.1733 .3116 .1423 .0078
O21 .1228 .1851 0 .0112
O26 -.0428 .2480 0 .0082
O23 -.1647 .0806 0 .0106
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 2.3 GPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007387
16.990 9.680 9.293 90 90 90 Cccm
atom x y z Uiso
Mg .1624 .5 .25 .0084
Al11 .25 .25 .2503 .0075
Si16 0 .5 .25 .0081
Si21 .1932 .0769 0 .0060
Al26 .0514 .3076 0 .0063
Si23 -.1350 .2368 0 .0062
O11 .2476 .1022 .1420 .0092
O16 .0625 .4157 .1503 .0075
O13 -.1734 .3138 .1415 .0122
O21 .1239 .1825 0 .0099
O26 -.0424 .2462 0 .0129
O23 -.1656 .0778 0 .0132
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Cordierite
Koepke J, Schulz H
Physics and Chemistry of Minerals 13 (1986) 165-173
Single crystal structure investigations under high-pressure of the
mineral cordierite with an improved high-pressure cell
Sample: P = 2.2 GPa
Locality: Zabargad island, Red Sea
_database_code_amcsd 0007388
16.975 9.647 9.274 90 90 90 Cccm
atom x y z Uiso
Mg .1622 .5 .25 .0074
Al11 .25 .25 .2473 .0076
Si16 0 .5 .25 .0032
Si21 .1938 .0770 0 .0063
Al26 .0520 .3055 0 .0069
Si23 -.1348 .2369 0 .0011
O11 .2473 .1033 .1426 .0058
O16 .0625 .4152 .1502 .0065
O13 -.1734 .3127 .1414 .0055
O21 .1227 .1833 0 .0050
O26 -.0430 .2441 0 .0182
O23 -.1646 .0812 0 .0098
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Cordierite
Schwartz K B, Leong D B, McConville R L
Physics and Chemistry of Minerals 20 (1994) 563-574
Structural chemistry of synthetic cordierite: evidence for solid solutions
and disordered compositional domains in Bi-flux-grown Mg-cordierites
Sample: Crystallized from glass at 1200 degrees C for 350 hours
Note: tetrahedral site occupancies are assumed, not refined
_database_code_amcsd 0007854
17.047 9.7315 9.3463 90 90 90 Cccm
atom x y z Biso
MgM .339 0 .25 -1.5
AlT11 .25 .25 .252 -2.17
SiT16 0 .5 .25 -2.17
SiT21 .1889 .074 0 -2.17
SiT23 .1314 -.236 0 -2.17
AlT26 .0527 .299 0 -2.17
O11 .241 -.096 .362 -1.9
O16 .068 -.405 .352 -1.9
O13 -.178 -.308 .357 -1.9
O26 .047 -.227 0 -1.9
O11 .114 .180 0 -1.9
O23 .148 -.083 0 -1.9
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Cordierite
Schwartz K B, Leong D B, McConville R L
Physics and Chemistry of Minerals 20 (1994) 563-574
Structural chemistry of synthetic cordierite: evidence for solid solutions
and disordered compositional domains in Bi-flux-grown Mg-cordierites
Sample: Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours
Note: tetrahedral site occupancies are assumed, not refined
_database_code_amcsd 0007856
17.0299 9.7424 9.3481 90 90 90 Cccm
atom x y z occ Biso
MgM .3369 0 .25 .91
AlT11 .25 .25 .2525 .73
SiT16 0 .5 .25 .84
SiT21 .1914 .0803 0 .86
SiT23 .1343 -.2380 0 .82
AlT26 .0499 .3106 0 .54
O11 .2470 -.1037 .3584 1.04
O16 .0637 -.4163 .3492 .77
O13 -.1735 -.3108 .3578 .88
O26 .0420 -.2508 0 1.46
O21 .1199 .1883 0 1.45
O23 .1633 -.0812 0 1.31
BiC1 0 0 .25 .084 13
BiC2 0 0 0 .032 8
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Cordierite
Schwartz K B, Leong D B, McConville R L
Physics and Chemistry of Minerals 20 (1994) 563-574
Structural chemistry of synthetic cordierite: evidence for solid solutions
and disordered compositional domains in Bi-flux-grown Mg-cordierites
Sample: Synthesized in 10 at% bismuth oxide flux at 1000 C for 12 hours
Note: tetrahedral site occupancies are assumed, not refined
_database_code_amcsd 0007857
17.0409 9.7382 9.3285 90 90 90 Cccm
atom x y z occ Biso
MgM .3376 0 .25 1.09
AlT11 .25 .25 .2526 .79
SiT16 0 .5 .25 .87
SiT21 .1915 .0795 0 .85
SiT23 .1348 -.2381 0 .74
AlT26 .0497 .3100 0 .69
O11 .2473 -.1038 .3581 .97
O16 .0633 -.4163 .3485 .89
O13 -.1733 -.3107 .3581 .82
O26 .0420 -.2504 0 1.43
O21 .1201 .1881 0 1.45
O23 .1639 -.0803 0 1.27
BiC1 0 0 .25 .105 12
BiC2 0 0 0 .039 8
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