Brownmillerite Ca2(Fe2-xAlx)O5 series; Redhammer et al. Structural variations in the brownmillerite solid solution series: ... sample BX000_1; x = 0.00 5.4268 14.7631 5.5969 90.000 90.000 90.000 Pnma ANISOU CA 0.480823 0.107976 0.022670 0.00940 0.00638 0.00618 -0.00021 0.00144 -0.00114 M (Fe=1.0) 0.000000 0.000000 0.000000 0.00268 0.00911 0.00293 0.00032 -0.00016 0.00066 T (Fe=1.0) 0.946054 0.250000 0.934030 0.00486 0.00432 0.00473 0.00000 -0.00001 0.00000 ANIONS O1 0.262785 0.984263 0.237013 0.00526 0.00949 0.00636 0.00149 -0.00179 -0.00161 O2 0.023970 0.140632 0.073525 0.01363 0.00555 0.00703 0.00061 0.00023 0.00085 O3 0.599107 0.250000 0.874100 0.00548 0.01115 0.00547 0.00000 0.00034 0.00000 END Sample BHT005_2; X = 0.115 5.4212 14.7432 5.5961 90.000 90.000 90.000 Pnma ANISOU CA 0.48141 0.10802 0.02331 0.00930 0.00368 0.00643 0.00002 0.00131 -0.00094 M (Fe=0.966,Al=0.034) 0.00000 0.00000 0.00000 0.00192 0.00551 0.00245 0.00020 -0.00010 0.00040 T (Fe=0.916,Al=0.084) 0.94628 0.25000 0.93351 0.00340 0.00074 0.00370 0.00000 0.00015 0.00000 ANIONS O1 0.26221 0.98432 0.23753 0.00423 0.00806 0.00636 0.00048 -0.00222 -0.00051 O2 0.02358 0.14090 0.07234 0.01266 0.00355 0.00846 0.00052 0.00022 0.00129 O3 0.59917 0.25000 0.87360 0.00498 0.00603 0.00774 0.00000 -0.00156 0.00000 END sample BHT015_1; x = 0.204 5.4140 14.7163 5.5947 90.000 90.000 90.000 Pnma ANISOU CA 0.48243 0.10813 0.02388 0.00892 0.00512 0.00625 0.00004 0.00117 -0.00101 M (Fe=0.952,Al=0.048) 0.00000 0.00000 0.00000 0.00121 0.00772 0.00194 0.00012 0.00002 0.00036 T (Fe=0.844,Al=0.156) 0.94682 0.25000 0.93280 0.00317 0.00260 0.00372 0.00000 0.00029 0.00000 ANIONS O1 0.26100 0.98458 0.23858 0.00397 0.00942 0.00564 0.00041 -0.00254 -0.00085 O2 0.02317 0.14162 0.07196 0.01295 0.00548 0.00776 0.00030 0.00083 0.00108 O3 0.60067 0.25000 0.87201 0.00586 0.00802 0.00700 0.00000 -0.00094 0.00000 END sample BF010_1; x = 0.212 5.4162 14.7155 5.5949 90.000 90.000 90.000 Pnma ANISOU CA 0.481848 0.108115 0.023637 0.01381 0.00657 0.00921 0.00017 0.00129 -0.00104 M (Fe=0.938,Al=0.062) 0.000000 0.000000 0.000000 0.00564 0.00820 0.00432 0.00022 0.00000 0.00034 T (Fe=0.850,Al=0.150) 0.946719 0.250000 0.933219 0.00767 0.00289 0.00619 0.00000 0.00041 0.00000 ANIONS O1 0.261589 0.984361 0.238030 0.00863 0.01100 0.00788 0.00006 -0.00219 -0.00093 O2 0.023686 0.141256 0.072911 0.01703 0.00747 0.01113 0.00000 0.00077 0.00148 O3 0.599481 0.250000 0.872676 0.01205 0.00880 0.00831 0.00000 -0.00222 0.00000 END sample BF060_1; x = 0.257 5.4068 14.6973 5.5930 90.000 90.000 90.000 Pnma ANISOU CA 0.482519 0.108198 0.024034 0.01058 0.00689 0.00771 0.00018 0.00115 -0.00102 M (Fe=0.966,Al=0.044 0.000000 0.000000 0.000000 0.00275 0.00884 0.00359 0.00021 -0.00010 0.00033 T (Fe=0.787,Al=0.213) 0.946960 0.250000 0.932784 0.00458 0.00320 0.00490 0.00000 0.00019 0.00000 ANIONS O1 0.261164 0.984523 0.238644 0.00630 0.01084 0.00681 0.00060 -0.00239 -0.00064 O2 0.023316 0.141453 0.071813 0.01386 0.00796 0.00945 0.00052 0.00082 0.00120 O3 0.600683 0.250000 0.871991 0.00890 0.00857 0.00796 0.00000 -0.00224 0.00000 END sample BF070_1; x = 0.258 5.4051 14.6969 5.5942 90.000 90.000 90.000 Pnma ANISOU CA 0.482409 0.108116 0.023893 0.01020 0.00589 0.00693 0.00012 0.00119 -0.00098 M (Fe=0.939,Al=0.061) 0.000000 0.000000 0.000000 0.00235 0.00799 0.00275 0.00027 0.00005 0.00024 T (Fe=0.802,Al=0.197 0.946827 0.250000 0.932789 0.00422 0.00260 0.00418 0.00000 0.00019 0.00000 ANIONS O1 0.261012 0.984607 0.238574 0.00493 0.01032 0.00582 0.00063 -0.00267 -0.00106 O2 0.023092 0.141560 0.072268 0.01333 0.00664 0.00843 0.00088 0.00019 0.00119 O3 0.600347 0.250000 0.872051 0.00838 0.00830 0.00627 0.00000 -0.00140 0.00000 END sample BF020_2; x = 0.259 5.4073 14.6996 5.5948 90.000 90.000 90.000 Pnma ANISOU CA 0.482341 0.108130 0.023670 0.00864 0.00407 0.00652 0.00007 0.00102 -0.00116 M (Fe=0.933,Al=0.067) 0.000000 0.000000 0.000000 0.00059 0.00588 0.00174 0.00027 -0.00013 0.00031 T (Fe=0.808,Al=0.192 0.946820 0.250000 0.932906 0.00274 0.00036 0.00349 0.00000 0.00000 0.00000 ANIONS O1 0.261462 0.984593 0.238396 0.00481 0.00853 0.00590 0.00090 -0.00239 -0.00013 O2 0.022902 0.141100 0.072590 0.01229 0.00490 0.00877 0.00090 0.00029 0.00131 O3 0.600906 0.250000 0.871559 0.00712 0.00526 0.00766 0.00000 -0.00127 0.00000 END sample BF100_1; x = 0.271 5.4069 14.6974 5.5931 90.000 90.000 90.000 Pnma ANISOU CA 0.482357 0.108144 0.023898 0.01273 0.00770 0.00864 0.00000 0.00098 -0.00098 M (Fe=0.936,Al=0.064) 0.000000 0.000000 0.000000 0.00462 0.00930 0.00404 0.00017 -0.00011 0.00027 T (Fe=0.793,Al=0.207) 0.946937 0.250000 0.932898 0.00695 0.00416 0.00527 0.00000 0.00002 0.00000 ANIONS O1 0.261307 0.984440 0.238658 0.00869 0.01220 0.00682 0.00124 -0.00402 -0.00095 O2 0.022945 0.141512 0.072301 0.01573 0.00798 0.01026 0.00026 0.00037 0.00040 O3 0.600418 0.250000 0.872135 0.01097 0.01180 0.00753 0.00000 -0.00222 0.00000 END sample BHT025_2; x = 0.276 5.4071 14.6949 5.5941 90.000 90.000 90.000 Pnma ANISOU CA 0.48320 0.10819 0.02402 0.00930 0.00600 0.00682 0.00057 0.00099 -0.00087 M (Fe=0.963,Al=0.037) 0.00000 0.00000 0.00000 0.00198 0.00959 0.00332 0.00037 0.00003 0.00030 T (Fe=0.760,Al=0.240) 0.94715 0.25000 0.93249 0.00289 0.00274 0.00368 0.00000 -0.00006 0.00000 ANIONS O1 0.26043 0.98471 0.23944 0.00500 0.00823 0.00546 0.00081 -0.00269 0.00037 O2 0.02226 0.14146 0.07186 0.01221 0.00711 0.00837 0.00085 0.00067 0.00210 O3 0.60255 0.25000 0.87106 0.00692 0.00560 0.00906 0.00000 -0.00117 0.00000 END sample BHT030_3; x = 0.365 5.4027 14.6779 5.5923 90.000 90.000 90.000 Pnma ANISOU CA 0.48378 0.10821 0.02456 0.01119 0.00668 0.00873 0.00022 0.00094 -0.00090 M (Fe=0.932,Al=0.068) 0.00000 0.00000 0.00000 0.00367 0.00954 0.00463 0.00046 0.00005 0.00043 T (Fe=0.703,Al=0.297) 0.94757 0.25000 0.93200 0.00467 0.00373 0.00534 0.00000 0.00017 0.00000 ANIONS O1 0.25961 0.98489 0.24038 0.00540 0.01165 0.00806 0.00057 -0.00285 -0.00091 O2 0.02271 0.14189 0.07193 0.01513 0.00774 0.00983 0.00125 0.00012 0.00111 O3 0.60342 0.25000 0.86977 0.01098 0.00759 0.01130 0.00000 -0.00220 0.00000 END sample BHT035_1, x = 0.408 5.3986 14.6631 5.5911 90.000 90.000 90.000 Pnma ANISOU CA 0.48454 0.10834 0.02498 0.01088 0.00552 0.00738 0.00024 0.00092 -0.00109 M (Fe=0.906,Al=0.094) 0.00000 0.00000 0.00000 0.00331 0.00832 0.00282 0.00031 0.00000 0.00025 T (Fe=0.686,Al=0.314) 0.94803 0.25000 0.93142 0.00546 0.00237 0.00441 0.00000 0.00028 0.00000 ANIONS O1 0.25888 0.98498 0.24121 0.00664 0.01015 0.00632 0.00037 -0.00190 -0.00061 O2 0.02197 0.14226 0.07132 0.01445 0.00681 0.00914 0.00046 0.00073 0.00130 O3 0.60453 0.25000 0.86871 0.01112 0.00623 0.00916 0.00000 -0.00251 0.00000 END sample BHT040_2, x = 0.441 5.3936 14.6476 5.5899 90.000 90.000 90.000 Pnma ANISOU CA 0.48477 0.10835 0.02493 0.01053 0.00504 0.00756 0.00013 0.00108 -0.00101 M (Fe=0.920,Al=0.080) 0.00000 0.00000 0.00000 0.00281 0.00831 0.00339 0.00021 0.00003 0.00040 T (Fe=0.639,Al=0.361) 0.94805 0.25000 0.93132 0.00487 0.00226 0.00432 0.00000 0.00023 0.00000 ANIONS O1 0.25887 0.98509 0.24105 0.00591 0.01091 0.00657 0.00099 -0.00347 -0.00060 O2 0.02153 0.14222 0.07127 0.01385 0.00695 0.00964 0.00091 0.00061 0.00077 O3 0.60522 0.25000 0.86860 0.00965 0.00732 0.00914 0.00000 -0.00248 0.00000 END sample BF65I_1; x = 0.526 5.3859 14.6317 5.5871 90.000 90.000 90.000 Pnma ANISOU CA 0.484957 0.108523 0.025257 0.01155 0.00681 0.00793 0.00025 0.00083 -0.00102 M (Fe=0.881,Al=0.119) 0.000000 0.000000 0.000000 0.00398 0.00925 0.00366 0.00023 0.00004 0.00042 T (Fe=0.585,Al=0.415) 0.948280 0.250000 0.931099 0.00577 0.00328 0.00506 0.00000 0.00014 0.00000 ANIONS O1 0.258470 0.985157 0.241669 0.00751 0.01222 0.00761 0.00088 -0.00208 -0.00038 O2 0.021303 0.142498 0.070976 0.01416 0.00901 0.00983 0.00143 0.00071 0.00110 O3 0.604834 0.250000 0.868523 0.01189 0.00886 0.00958 0.00000 -0.00199 0.00000 END sample BF120I_1, X = 0.527 5.3886 14.6314 5.5885 90.000 90.000 90.000 Pnma ANISOU CA 0.485690 0.108570 0.025604 0.01245 0.00708 0.00905 0.00007 0.00094 -0.00089 M (Fe=0.885,Al=0.115) 0.000000 0.000000 0.000000 0.00483 0.01049 0.00495 0.00006 0.00002 0.00016 T (Fe=0.411,Al=0.589) 0.948868 0.250000 0.930985 0.00897 0.00389 0.00630 0.00000 0.00009 0.00000 ANIONS O1 0.257859 0.985081 0.241957 0.00855 0.01097 0.00843 0.00051 -0.00305 0.00023 O2 0.020713 0.142615 0.071488 0.01626 0.00916 0.01069 0.00076 0.00022 0.00087 O3 0.604457 0.250000 0.869120 0.01122 0.01086 0.01030 0.00000 -0.00201 0.00000 END sample BF90I_1; x = 0.541 5.3880 14.6306 5.5863 90.000 90.000 90.000 Pnma ANISOU CA 0.485062 0.108553 0.025327 0.01018 0.00366 0.00595 0.00011 0.00091 -0.00104 M (Fe=0.871,Al=0.129) 0.000000 0.000000 0.000000 0.00254 0.00669 0.00136 0.00022 0.00000 0.00033 T (Fe=0.587,Al=0.413) 0.948409 0.250000 0.930999 0.00439 0.00030 0.00218 0.00000 0.00042 0.00000 ANIONS O1 0.258017 0.985173 0.241536 0.00597 0.00768 0.00564 0.00079 -0.00219 -0.00044 O2 0.021370 0.142591 0.070457 0.01386 0.00691 0.00664 0.00117 0.00125 0.00102 O3 0.605328 0.250000 0.868565 0.01049 0.00469 0.00811 0.00000 -0.00141 0.00000 END sample BF80I_1; x = 0.560 5.3876 14.6302 5.5877 90.000 90.000 90.000 Pnma ANISOU CA 0.485588 0.108637 0.025692 0.00968 0.00682 0.00782 0.00033 0.00104 -0.00089 M (Fe=0.880,Al=0.120) 0.000000 0.000000 0.000000 0.00182 0.00958 0.00313 0.00014 -0.00003 0.00024 T (Fe=0.560,Al=0.440) 0.949031 0.250000 0.930841 0.00607 0.00376 0.00499 0.00000 0.00009 0.00000 ANIONS O1 0.257942 0.985175 0.242317 0.00616 0.01090 0.00696 0.00053 -0.00166 -0.00042 O2 0.020644 0.142713 0.070736 0.01163 0.00945 0.00919 0.00057 0.00036 0.00041 O3 0.605550 0.250000 0.868333 0.00801 0.00942 0.01062 0.00000 -0.00112 0.00000 END sample BHT055_1, x = 0.552 5.3808 14.6131 5.5911 90.000 90.000 90.000 I2mb ANISOU CA 0.49099 0.10817 0.02643 0.00963 0.00324 0.00640 0.00046 0.00040 -0.00131 M (Fe=0.862,Al=0.138) 0.00101 0.00000 0.00000 0.00190 0.00563 0.00198 -0.00003 0.00000 0.00000 T (Fe=0.586,Al=0.414) 0.95256 0.25000 0.92986 0.00414 0.00001 0.00379 0.00000 -0.00009 0.00000 ANIONS O1 0.24996 0.98578 0.25316 0.00437 0.00824 0.00563 0.00051 -0.00146 -0.00103 O2 0.02465 0.14270 0.06992 0.01309 0.00570 0.00794 0.00079 0.00130 0.00012 O3 0.60972 0.25000 0.86845 0.00982 0.00405 0.00820 0.00000 -0.00126 0.00000 END TITL BHT060_1, x = 0.583 5.3781 14.6016 5.5887 90.000 90.000 90.000 I2mb ANISOU CA 0.49121 0.10829 0.02642 0.00914 0.00549 0.00778 0.00053 0.00056 -0.00091 M (Fe=0.871,Al=0.129) 0.00080 0.00000 0.00000 0.00203 0.00816 0.00350 0.00011 0.00000 0.00000 T (Fe=0.545.Al=0.454) 0.95243 0.25000 0.92969 0.00359 0.00221 0.00442 0.00000 -0.00007 0.00000 ANIONS O1 0.24998 0.98590 0.25269 0.00569 0.01014 0.00672 0.00080 -0.00168 -0.00098 O2 0.02393 0.14257 0.06963 0.01170 0.00880 0.00917 0.00112 0.00145 -0.00005 O3 0.61028 0.25000 0.86749 0.01089 0.00619 0.00990 0.00000 -0.00232 0.00000 END sample BHT050_2, x = 0.590 5.3832 14.6214 5.5916 90.000 90.000 90.000 I2mb ANISOU CA 0.49118 0.10820 0.02655 0.00877 0.00441 0.00585 0.00049 0.00014 -0.00132 M (Fe=0.849,Al=0.151) 0.00109 0.00000 0.00000 0.00084 0.00683 0.00117 0.00029 0.00000 0.00000 T (Fe=0.561,Al=0.439) 0.95225 0.25000 0.92996 0.00301 0.00091 0.00295 0.00000 -0.00014 0.00000 ANIONS O1 0.24941 0.98593 0.25309 0.00386 0.00939 0.00484 0.00064 -0.00153 -0.00057 O2 0.02380 0.14263 0.06973 0.00992 0.00599 0.00944 0.00042 0.00046 0.00064 O3 0.61015 0.25000 0.86765 0.00993 0.00428 0.00723 0.00000 -0.00227 0.00000 END sample BHT065_3, x = 0.618 5.3725 14.5826 5.5870 90.000 90.000 90.000 I2mb ANISOU CA 0.49106 0.10826 0.02652 0.01131 0.00579 0.00708 0.00029 0.00043 -0.00139 M (Fe=0.867,Al=0.133) 0.00087 0.00000 0.00000 0.00430 0.00885 0.00299 0.00046 0.00000 0.00000 T (Fe=0.515,Al=0.485) 0.95257 0.25000 0.92945 0.00718 0.00214 0.00298 0.00000 -0.00038 0.00000 ANIONS O1 0.24908 0.98589 0.25171 0.00652 0.00900 0.00582 0.00126 -0.00177 -0.00148 O2 0.02400 0.14267 0.07029 0.00961 0.00895 0.01036 0.00128 0.00131 -0.00091 O3 0.61145 0.25000 0.86542 0.01311 0.00499 0.00860 0.00000 -0.00261 0.00000 END sample BHT070_1; x = 0.663 5.3714 14.5804 5.5847 90.000 90.000 90.000 I2mb ANISOU CA 0.49111 0.10826 0.02650 0.00997 0.00374 0.00607 0.00017 0.00068 -0.00139 M (Fe=0.851,Al=0.149) 0.00060 0.00000 0.00000 0.00209 0.00627 0.00126 0.00028 0.00000 0.00000 T (Fe=0.486,Al=0.514) 0.95281 0.25000 0.92959 0.00308 0.00008 0.00160 0.00000 -0.00003 0.00000 ANIONS O1 0.25007 0.98597 0.25304 0.00610 0.00859 0.00458 0.00192 -0.00289 -0.00054 O2 0.02395 0.14294 0.06973 0.01379 0.00564 0.00963 0.00087 0.00147 0.00116 O3 0.61062 0.25000 0.86616 0.01167 0.00595 0.00755 0.00000 -0.00260 0.00000 END sample BHT075_2; x = 0.749 5.3624 14.5526 5.5795 90.000 90.000 90.000 I2mb ANISOU CA 0.49130 0.10849 0.02705 0.01076 0.00536 0.00637 0.00067 0.00043 -0.00127 M (Fe=0.812.Al=0.188) 0.00064 0.00000 0.00000 0.00372 0.00825 0.00232 0.00032 0.00000 0.00000 T (Fe=0.439,Al=0.561) 0.95255 0.25000 0.92867 0.00770 0.00174 0.00363 0.00000 -0.00010 0.00000 ANIONS O1 0.24882 0.98627 0.25224 0.00778 0.00901 0.00495 0.00049 -0.00120 -0.00099 O2 0.02226 0.14344 0.06921 0.01229 0.00798 0.00934 0.00073 0.00147 0.00102 O3 0.61417 0.25000 0.86356 0.01086 0.00712 0.00901 0.00000 -0.00310 0.00000 END sample bht120_6; x = 0.789 5.3569 14.5407 5.5735 90.000 90.000 90.000 I2mb ANISOU CA 0.49115 0.10854 0.02705 0.00974 0.00615 0.00698 0.00047 0.00056 -0.00103 M (Fe=0.791,Al=0.209) 0.00057 0.00000 0.00000 0.00238 0.00891 0.00270 0.00020 0.00000 0.00000 T (Fe=0.420,Al=0.580) 0.95281 0.25000 0.92900 0.00505 0.00341 0.00431 0.00000 -0.00024 0.00000 ANIONS O1 0.24938 0.98611 0.25295 0.00591 0.01045 0.00588 0.00079 -0.00280 -0.00129 O2 0.02283 0.14334 0.06914 0.01256 0.00820 0.00958 0.00129 0.00149 0.00120 O3 0.61351 0.25000 0.86396 0.01083 0.00577 0.00841 0.00000 -0.00233 0.00000 END sample bht095_2; x = 0.866 5.3510 14.5256 5.5685 90.000 90.000 90.000 I2mb ANISOU CA 0.49127 0.10859 0.02718 0.00858 0.00561 0.00453 0.00034 0.00011 -0.00122 M (Fe=0.783,Al=0.217) 0.00047 0.00000 0.00000 0.00132 0.00937 0.00053 0.00008 0.00000 0.00000 T (Fe=0.351,Al=0.649) 0.95269 0.25000 0.92834 0.00303 0.00338 0.00158 0.00000 -0.00005 0.00000 ANIONS O1 0.24935 0.98635 0.25293 0.00498 0.01032 0.00328 -0.00026 -0.00140 -0.00041 O2 0.02160 0.14333 0.06859 0.00992 0.00926 0.00720 0.00188 -0.00045 0.00086 O3 0.61458 0.25000 0.86328 0.01075 0.00566 0.00447 0.00000 -0.00169 0.00000 END sample bht110_3, x = 0.880 5.3473 14.5156 5.5659 90.000 90.000 90.000 I2mb ANISOU CA 0.49119 0.10852 0.02715 0.00989 0.00536 0.00665 0.00056 0.00030 -0.00122 M (Fe=0.769,Al=0.231) 0.00057 0.00000 0.00000 0.00270 0.00874 0.00225 0.00004 0.00000 0.00000 T (Fe=0.351,Al=0.649) 0.95279 0.25000 0.92862 0.00493 0.00238 0.00378 0.00000 -0.00032 0.00000 ANIONS O1 0.24926 0.98629 0.25312 0.00532 0.01003 0.00523 -0.00012 -0.00158 -0.00080 O2 0.02197 0.14350 0.06864 0.01222 0.00838 0.00918 0.00153 0.00165 0.00062 O3 0.61431 0.25000 0.86297 0.01080 0.00630 0.00726 0.00000 -0.00221 0.00000 END sample BHT100_2, X = 0.909 5.3469 14.5149 5.5640 90.000 90.000 90.000 I2mb ANISOU CA 0.49141 0.10855 0.02702 0.00968 0.00508 0.00593 0.00057 -0.00017 -0.00125 M (Fe=0.758,Al=0.242) 0.00055 0.00000 0.00000 0.00272 0.00842 0.00206 0.00056 0.00000 0.00000 T (Fe=0.333,Al=0.667) 0.95235 0.25000 0.92831 0.00577 0.00216 0.00294 0.00000 0.00004 0.00000 ANIONS O1 0.24837 0.98646 0.25276 0.00615 0.00941 0.00480 0.00087 -0.00190 -0.00104 O2 0.02149 0.14347 0.06858 0.01169 0.00807 0.00823 0.00049 0.00127 0.00204 O3 0.61513 0.25000 0.86196 0.01022 0.00649 0.00630 0.00000 -0.00375 0.00000 END sample BHT110n1, x = 0.986 5.3369 14.4945 5.5548 90.000 90.000 90.000 I2mb ANISOU CA 0.49139 0.10852 0.02709 0.00859 0.00425 0.00623 0.00022 0.00002 -0.00152 M (Fe=0.733,Al=0.267) 0.00040 0.00000 0.00000 0.00169 0.00759 0.00174 0.00036 0.00000 0.00000 T (Fe=0.281,Al=0.719) 0.95260 0.25000 0.92783 0.00370 0.00066 0.00319 0.00000 -0.00043 0.00000 ANIONS O1 0.24863 0.98637 0.25194 0.00587 0.00687 0.00567 -0.00018 -0.00101 -0.00154 O2 0.02030 0.14399 0.06737 0.01115 0.00814 0.00912 0.00135 0.00125 0.00174 O3 0.61715 0.25000 0.86083 0.00814 0.00668 0.00409 0.00000 -0.00304 0.00000 END sample BHT120N2; x = 1.078 5.3269 14.4687 5.5433 90.000 90.000 90.000 I2mb ANISOU CA 0.49144 0.10871 0.02713 0.00968 0.00689 0.00543 0.00039 -0.00036 -0.00134 M (Fe=0.684,Al=0.316) 0.00044 0.00000 0.00000 0.00143 0.01072 0.00099 0.00028 0.00000 0.00000 T (Fe=0.338,Al=0.762) 0.95260 0.25000 0.92749 0.00359 0.00365 0.00168 0.00000 -0.00002 0.00000 ANIONS O1 0.24808 0.98675 0.25347 0.00491 0.01218 0.00455 -0.00033 -0.00161 -0.00021 O2 0.02002 0.14368 0.06660 0.00971 0.01149 0.00902 0.00345 0.00032 0.00233 O3 0.61683 0.25000 0.86104 0.00874 0.00938 0.00652 0.00000 -0.00030 0.00000 END sample BHT130_2; x = 1.259 5.3093 14.4534 5.5230 90.000 90.000 90.000 I2mb ANISOU CA 0.49171 0.10859 0.02695 0.00924 0.00554 0.00749 0.00073 0.00003 -0.00073 M (Fe=0.594,Al=0.406) -0.00029 0.00000 0.00000 0.00247 0.00875 0.00338 0.00020 0.00000 0.00000 T (Fe=0.147,Al=0.853) 0.95269 0.25000 0.92700 0.00372 0.00254 0.00311 0.00000 -0.00036 0.00000 ANIONS O1 0.24850 0.98713 0.25359 0.00603 0.00922 0.00655 -0.00069 -0.00109 0.00018 O2 0.01955 0.14381 0.06622 0.01208 0.00816 0.01269 0.00276 0.00260 0.00148 O3 0.61840 0.25000 0.85855 0.01007 0.00526 0.00568 0.00000 0.00108 0.00000 END sample BHT140_2; x = 1.356 5.2991 14.4434 5.5099 90.000 90.000 90.000 I2mb ANISOU CA 0.49185 0.10859 0.02659 0.00927 0.00931 0.00868 0.00060 0.00004 -0.00077 M (Fe=0.541,Al=0.459) -0.00040 0.00000 0.00000 0.00291 0.01306 0.00524 0.00057 0.00000 0.00000 T (Fe=0.897,Al=0.103) 0.95273 0.25000 0.92640 0.00555 0.00613 0.00448 0.00000 -0.00018 0.00000 ANIONS O1 0.24814 0.98752 0.25221 0.00564 0.01221 0.00919 0.00121 -0.00041 -0.00004 O2 0.01851 0.14383 0.06476 0.01042 0.01232 0.01251 0.00231 0.00152 0.00123 O3 0.61827 0.25000 0.85930 0.00928 0.01143 0.00721 0.00000 -0.00087 0.00000 END