Yang H, Hirschmann M M
American Mineralogist 80 (1995) 916-922
Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation
ordering and composition in the P2_1/m - C2/m transition in cummingtonite
Sample: UH1, untreated
_database_code_amcsd 0001752
9.5015 18.1289 5.3089 90 102.090 90 C2/m
atom x y z occ Biso
Fe1 0 .0869 .5 .200 .671
Mg1 0 .0869 .5 .800 .671
Fe2 0 .1771 0 .091 .693
Mg2 0 .1771 0 .903 .693
Al2 0 .1771 0 .006 .693
Fe3 0 0 0 .164 .521
Mg3 0 0 0 .836 .521
Fe4 0 .2589 .5 .906 .931
Mg4 0 .2589 .5 .051 .931
Ca4 0 .2589 .5 .043 .931
Si1 .2879 .0842 .2745 .561
Si2 .2979 .1688 .7812 .572
O1 .1142 .0869 .2092 .681
O2 .1232 .1721 .7193 .722
O3 .1133 0 .7068 .846
O4 .3805 .2454 .7689 .917
O5 .3514 .1313 .0646 1.036
O6 .3499 .1185 .5586 1.177
O7 .3434 0 .2699 1.026
Sample: 11a, heat treated at 600 C
_database_code_amcsd 0001753
9.5048 18.1343 5.3077 90 102.009 90 P2_1/m
Fe1 -.2499 .3369 .4929 .258 .692
Mg1 -.2499 .3369 .4929 .742 .692
Fe2 -.2501 .4273 .9923 .165 .653
Mg2 -.2501 .4273 .9923 .828 .653
Al2 -.2501 .4273 .9923 .007 .653
Fe3 -.2497 .25 .9940 .220 .567
Mg3 -.2497 .25 .9940 .780 .567
Fe4 -.2510 .5089 .4903 .778 .931
Mg4 -.2510 .5089 .4903 .167 .931
Ca4 -.2510 .5089 .4903 .055 .931
Si1a .0383 .3343 .2652 .514
Si2a .0467 .4194 .7718 .539
Si1b .5374 .8339 .2814 .524
Si2b .5487 .9182 .7876 .549
O1a -.1353 .3368 .2024 .586
O2a -.1278 .4223 .7089 .739
O3a -.1349 .25 .7006 .743
O4a .1292 .4968 .7756 .923
O5a .1001 .3756 .0421 1.052
O6a .1021 .3756 .5371 1.213
O7a .0945 .25 .2851 1.153
O1b .3641 .8370 .2161 .688
O2b .3742 .9229 .7262 .674
O3b .3619 .75 .7143 .854
O4b .6324 .9938 .7633 .927
O5b .6017 .8847 .0794 .915
O6b .5979 .8636 .5732 .972
O7b .5927 .75 .2613 .841
Sample: 1c, heat treated at 700 C
_database_code_amcsd 0001754
9.5057 18.1187 5.3059 90 102.031 90 P2_1/m
Fe1 -.2493 .3369 .4923 .25 .673
Mg1 -.2493 .3369 .4923 .75 .673
Fe2 -.2501 .4273 .9914 .163 .650
Mg2 -.2501 .4273 .9914 .830 .650
Al2 -.2501 .4273 .9914 .007 .650
Fe3 -.2495 .25 .9933 .221 .544
Mg3 -.2495 .25 .9933 .789 .544
Fe4 -.2517 .5089 .4897 .713 .916
Mg4 -.2517 .5089 .4897 .237 .916
Ca4 -.2517 .5089 .4897 .050 .916
Si1a .0386 .3344 .2649 .614
Si2a .0461 .4194 .7710 .575
Si1b .5368 .8339 .2818 .499
Si2b .5491 .9183 .7880 .595
O1a -.1354 .3368 .2025 .747
O2a -.1275 .4228 .7075 .655
O3a -.1362 .25 .7009 .773
O4a .1285 .4972 .7774 .965
O5a .1011 .3751 .0403 1.074
O6a .1036 .3756 .5360 1.126
O7a .0951 .25 .2865 .887
O1b .3640 .8371 .2163 .636
O2b .3740 .9229 .7267 .783
O3b .3634 .75 .7160 .979
O4b .6326 .9937 .7620 .873
O5b .6004 .8850 .0801 .920
O6b .5965 .8633 .5744 1.093
O7b .5918 .75 .2593 1.167
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