|
Sudoite |
 |
Eggleton R A, Bailey S W |
 |
American Mineralogist 52 (1967) 673-689 |
|
Structural aspects of dioctahedral chlorite |
|
_database_code_amcsd 0000155 |
|
5.237 9.070 14.285 90 97.03 90 C2/m |
|
atom x y z occ |
|
Si .2312 .1667 .1909 .83 |
|
Al .2312 .1667 .1909 .17 |
|
Al2 0 .3333 0 |
|
Mg3 0 .1667 .5 .77 |
|
Al3 0 .1667 .5 .23 |
|
Mg4 0 .5 .5 .77 |
|
Al4 0 .5 .5 .23 |
|
O1 .1900 .1667 .0720 |
|
O2 .1943 0 .2368 |
|
O3 .5066 .2335 .2332 |
|
OH1 .1900 .5 .0720 |
|
OH2 .1421 0 .4243 |
|
OH3 .1421 .3333 .4243 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Zirkelite |
 |
Sinclair W, Eggleton R A |
 |
American Mineralogist 67 (1982) 615-620 |
|
Structure refinement of zirkelite from Kaiserstuhl, West Germany |
|
_database_code_amcsd 0000869 |
|
12.431 7.224 11.483 90 100.33 90 C2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .3752 .1245 .4971 .870 0.020 0.019 0.029 0.003 0.005 0.004 |
|
Th1 .3752 .1245 .4971 .130 0.020 0.019 0.029 0.003 0.005 0.004 |
|
Zr2 .1210 .2161 -.0239 .850 0.017 0.012 0.023 0.002 0.004 0.001 |
|
Ti2 .1210 .2161 -.0239 .150 0.017 0.012 0.023 0.002 0.004 0.001 |
|
Fe3 .25 .1252 .7450 .125 0.019 0.017 0.021 -.001 0.005 0 |
|
Ti3 .25 .1252 .7450 .375 0.019 0.017 0.021 -.001 0.005 0 |
|
Nb3 .25 .1252 .7450 .350 0.019 0.017 0.021 -.001 0.005 0 |
|
Zr3 .25 .1252 .7450 .150 0.019 0.017 0.021 -.001 0.005 0 |
|
Fe4 .4788 .0892 .2509 .330 0.056 0.062 0.009 -.003 -.002 -.004 |
|
Ti4 .4788 .0892 .2509 .170 0.056 0.062 0.009 -.003 -.002 -.004 |
|
Ti5 0 .1279 .25 .720 0.020 0.020 0.020 0 0.002 0 |
|
Nb5 0 .1279 .25 .280 0.020 0.020 0.020 0 0.002 0 |
|
O1 .3087 .1243 .2864 0.062 0.013 0.042 -.004 0.007 -.007 |
|
O2 .4693 .1373 .0891 0.028 0.024 0.051 0.002 0.004 0.002 |
|
O3 .2070 .0857 .5687 0.030 0.028 0.048 -.007 -.001 -.007 |
|
O4 .3957 .1665 .7151 0.035 0.041 0.036 -.010 0.005 -.000 |
|
O5 .7121 .1700 .5821 0.034 0.027 0.031 0.000 -.004 0.007 |
|
O6 -.0024 .1157 .4189 0.031 0.028 0.035 0.001 0.010 0.005 |
|
O7 .1086 .0653 .7917 0.026 0.043 0.041 -.014 -.001 0.003 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Calzirtite |
 |
Sinclair W, Eggleton R A, McLaughlin G M |
 |
American Mineralogist 71 (1986) 815-818 |
|
Structure refinement of calzirtite from Jacupiranga, Brazil |
|
_database_code_amcsd 0001034 |
|
15.094 15.094 10.043 90 90 90 I4_1/acd |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zr1 .01264 .01264 .25 .5 .0140 .0140 .0073 -.0064 .0011 -.0011 |
|
Ti2 .16809 .16809 .25 .75 .0065 .0065 .0060 .0001 -.0006 .0006 |
|
Fe2 .16809 .16809 .25 .1 .0065 .0065 .0060 .0001 -.0006 .0006 |
|
Nb2 .16809 .16809 .25 .15 .0065 .0065 .0060 .0001 -.0006 .0006 |
|
Ca3 .33281 .33281 .25 .0069 .0069 .0074 .0001 -.0007 .0007 |
|
Zr4 .16152 .01780 .48578 .0047 .0041 .0051 .0002 .0010 -.0001 |
|
O1 .25 .2130 .125 .008 .014 .011 0 0 -.0030 |
|
O2 .25 .4303 .125 .008 .008 .006 0 0 .0000 |
|
O3 .2433 .0776 .3309 .017 .009 .010 -.0060 .0010 .0000 |
|
O4 .1135 .0827 .1236 .014 .011 .011 -.0020 .0000 .0000 |
|
O5 .0655 .0795 .6193 .017 .008 .007 -.0020 -.0010 .0000 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bementite |
 |
Heinrich A R, Eggleton R A, Guggenheim S |
 |
American Mineralogist 79 (1994) 91-106 |
|
Structure and polytypism of bementite, a modulated layer silicate |
|
_database_code_amcsd 0001635 |
|
14.838 17.584 14.700 90 95.54 90 P2_1/c |
|
atom x y z occ Biso |
|
Si1 .921 .467 .199 .6 |
|
Si2 .719 .451 .208 .6 |
|
Si3 .556 .564 .184 .6 |
|
Si4 .990 .626 .170 .6 |
|
Si5 .845 .744 .149 .6 |
|
Si6 .640 .730 .164 .6 |
|
Si7 .494 .843 .160 .6 |
|
Si8 .568 .999 .189 .6 |
|
Si9 .768 .017 .204 .6 |
|
Si10 .299 .807 .173 .6 |
|
Si11 .184 .663 .177 .6 |
|
Si12 .930 .906 .176 .6 |
|
Mn1 0 0 0 .95 .8 |
|
Mn2 .224 .025 -.008 .79 .8 |
|
Mn3 .434 .069 .023 .96 .8 |
|
Mn4 .643 .123 .022 .96 .8 |
|
Mn5 .854 .139 .028 .98 .8 |
|
Mn6 .081 .176 .045 .85 .8 |
|
Mn7 .284 .225 .072 .8 |
|
Mn8 .493 .255 .035 .88 .8 |
|
Mn9 .723 .293 .038 .8 |
|
Mn10 .941 .316 .042 .8 |
|
Mn11 .139 .355 .041 .8 |
|
Mn12 .359 .397 .002 .99 .8 |
|
Mn13 .580 .429 .021 .8 |
|
Mn14 .797 .450 .001 .8 |
|
Mn15 0 0 .5 .96 .8 |
|
O1 .82 .49 .21 1.2 |
|
O2 .99 .54 .21 1.2 |
|
O3 .96 .41 .28 1.2 |
|
O4 .64 .51 .23 1.2 |
|
O5 .46 .56 .23 1.2 |
|
O6 .59 .65 .20 1.2 |
|
O7 .75 .74 .19 1.2 |
|
O8 .90 .67 .20 1.2 |
|
O9 .90 .82 .19 1.2 |
|
O10 .86 .96 .22 1.2 |
|
O11 .67 .97 .22 1.2 |
|
O12 .49 .93 .19 1.2 |
|
O13 .58 .80 .20 1.2 |
|
O14 .41 .80 .19 1.2 |
|
O15 .24 .74 .21 1.2 |
|
O16 .08 .67 .21 1.2 |
|
O17 .77 .09 .28 1.2 |
|
O18 .73 .39 .29 1.2 |
|
O19 .92 .92 .07 1.2 |
|
O20 .69 .88 .00 1.2 |
|
O21 .49 .85 .05 1.2 |
|
O22 .28 .81 .06 1.2 |
|
O23 .05 .79 .01 1.2 |
|
O24 .83 .75 .04 1.2 |
|
O25 .63 .73 .05 1.2 |
|
O26 .41 .68 .03 1.2 |
|
O27 .18 .65 .07 1.2 |
|
O28 .98 .62 .06 1.2 |
|
O29 .77 .57 .04 1.2 |
|
O30 .54 .54 .08 1.2 |
|
O31 .33 .51 .07 1.2 |
|
O32 .12 .47 .08 1.2 |
|
O33 .92 .43 .09 1.2 |
|
O34 .70 .41 .11 1.2 |
|
O35 .48 .37 .08 1.2 |
|
O36 .28 .34 .11 1.2 |
|
O37 .06 .29 .13 1.2 |
|
O38 .84 .24 .08 1.2 |
|
O39 .63 .22 .10 1.2 |
|
O40 .41 .17 .09 1.2 |
|
O41 .21 .12 .10 1.2 |
|
O42 .98 .10 .07 1.2 |
|
O43 .76 .06 .10 1.2 |
|
O44 .56 .03 .09 1.2 |
|
O45 .35 .98 .07 1.2 |
|
O46 .13 .96 .06 1.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Parsettensite |
 |
Eggleton R A, Guggenheim S |
 |
American Mineralogist 79 (1994) 426-437 |
|
The use of electron optical methods to determine the crystal structure of a |
|
modulated phyllosilicate: Parsettensite |
|
_database_code_amcsd 0001653 |
|
39.1 22.84 17.95 90 135.6 90 C2/m |
|
atom x y z occ |
|
Mn1 .5743 0 .0087 |
|
Mn2 .7186 0 .0133 |
|
Mn3 0 0 0 |
|
Mn4 .8578 0 .0016 |
|
Mn5 .5 .0697 0 |
|
Mn6 .6475 .0703 .0139 |
|
Mn7 .7880 .0700 .0075 |
|
Mn8 .9282 .0709 0 |
|
Mn9 .5744 .1428 .0079 |
|
Mn10 .7173 .1429 .0091 |
|
Mn11 .8571 .1430 -.0002 |
|
Mn12 0 .1436 0 |
|
Mn13 .5 .2135 0 |
|
Mn14 .6456 .2135 .0086 |
|
Mn15 .7849 .2150 -.0003 |
|
Mn16 .9280 .2143 -.0023 |
|
Si1 .4725 .0680 .2156 .896 |
|
Al1 .4725 .0680 .2156 .104 |
|
Si2 .5427 .1343 .2201 .896 |
|
Al2 .5427 .1343 .2201 .104 |
|
Si3 .6139 .0681 .2284 .896 |
|
Al3 .6139 .0681 .2284 .104 |
|
Si4 .4043 .1366 .2148 .896 |
|
Al4 .4043 .1366 .2148 .104 |
|
Si5 .4056 .2723 .2191 .896 |
|
Al5 .4056 .2723 .2191 .104 |
|
Si6 .4750 .3381 .2203 .896 |
|
Al6 .4750 .3381 .2203 .104 |
|
Si7 .5436 .2701 .2216 .896 |
|
Al7 .5436 .2701 .2216 .104 |
|
Si8 .5022 .4316 .3778 .896 |
|
Al8 .5022 .4316 .3778 .104 |
|
Si9 .6946 .1603 .3800 .896 |
|
Al9 .6946 .1603 .3800 .104 |
|
Si10 .6549 .2779 .3790 .896 |
|
Al10 .6549 .2779 .3790 .104 |
|
Si11 .3366 .0679 .2156 .896 |
|
Al11 .3366 .0679 .2156 .104 |
|
Si12 .2701 .1369 .2192 .896 |
|
Al12 .2701 .1369 .2192 .104 |
|
Si13 .2030 .0679 .2218 .896 |
|
Al13 .2030 .0679 .2218 .104 |
|
Si14 .3410 .3428 .2275 .896 |
|
Al14 .3410 .3428 .2275 .104 |
|
Si15 .2738 .2726 .2275 .896 |
|
Al15 .2738 .2726 .2275 .104 |
|
Si16 .4251 .4293 .3821 .896 |
|
Al16 .4251 .4293 .3821 .104 |
|
Si17 .2236 .1549 .3798 .896 |
|
Al17 .2236 .1549 .3798 .104 |
|
Si18 .2634 .2723 .3810 .896 |
|
Al18 .2634 .2723 .3810 .104 |
|
O1 .6544 0 .1106 |
|
O2 .7980 0 .1086 |
|
O3 .9374 0 .0990 |
|
O4 .0796 0 .0973 |
|
O5 .2215 0 .0931 |
|
O6 .3611 0 .0851 |
|
O7 .5061 0 .0963 |
|
O8 .7269 .0723 .1091 |
|
O9 .8670 .0718 .0994 |
|
O10 .0078 .0718 .0961 |
|
O11 .1515 .0712 .0971 |
|
O12 .2913 .0706 .0869 |
|
O13 .4325 .0710 .0868 |
|
O14 .5801 .0718 .1018 |
|
O15 .6544 .1429 .1074 |
|
O16 .7963 .1439 .1011 |
|
O17 .9366 .1433 .0960 |
|
O18 .0796 .1419 .0970 |
|
O19 .2219 .1413 .0919 |
|
O20 .3621 .1409 .0859 |
|
O21 .5056 .1416 .0926 |
|
O22 .7248 .2161 .1025 |
|
O23 .8638 .2165 .0917 |
|
O24 .0078 .2152 .0964 |
|
O25 .1518 .2130 .0999 |
|
O26 .2946 .2118 .0960 |
|
O27 .4344 .2134 .0910 |
|
O28 .5799 .2151 .0997 |
|
O29 .5191 .1046 .2571 |
|
O30 .5868 .0923 .2604 |
|
O31 .6624 .1081 .2927 |
|
O32 .4505 .0998 .2546 |
|
O33 .4196 .2041 .2563 |
|
O34 .5192 .2974 .2581 |
|
O35 .5 .3958 .2964 |
|
O36 .4529 .3058 .2588 |
|
O37 .5570 .2020 .2600 |
|
O38 .5980 .2976 .2960 |
|
O39 .5032 .5 .3542 |
|
O40 .4548 .4134 .3531 |
|
O41 .6603 .2175 .3403 |
|
O42 .4867 0 .2545 |
|
O43 .6341 0 .2647 |
|
O44 .6853 .3303 .3864 |
|
O45 .7245 .1397 .5 |
|
O46 .6816 .2668 .5 |
|
O47 .5500 .4124 .5 |
|
O48 .3155 .0993 .2570 |
|
O49 .2497 .1021 .2597 |
|
O50 .1997 .1007 .2966 |
|
O51 .3827 .1045 .2546 |
|
O52 .3195 .3109 .2675 |
|
O53 .3699 .4030 .2928 |
|
O54 .3837 .3008 .2605 |
|
O55 .2885 .2040 .2605 |
|
O56 .2639 .2949 .2963 |
|
O57 .4284 .5 .3868 |
|
O58 .2323 .2119 .3409 |
|
O59 .3512 0 .2544 |
|
O60 .2185 0 .2601 |
|
O61 .2366 .3248 .3847 |
|
K1 .0568 .2000 .4750 .313 |
|
K2 .1234 0 .4750 .313 |
|
K3 .2401 0 .4750 .313 |
|
K4 .1151 .3750 .4750 .313 |
|
K5 .9234 .2000 .4750 .313 |
|
K6 .8568 0 .4750 .313 |
|
K7 .7401 0 .4750 .313 |
|
K8 .8651 .3750 .4750 .313 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Stilpnomelane |
 |
Guggenheim S, Eggleton R A |
 |
American Mineralogist 79 (1994) 438-442 |
|
Stilpnomelane and parsettensite: A distance least squares (DLS) study |
|
_database_code_amcsd 0001654 |
|
22.20 22.20 17.835 125.03 95.98 120.0 P-1 |
|
atom x y z |
|
Fe1 .3038 .3533 .5300 |
|
Fe2 .2171 .4317 .5217 |
|
Fe3 .1335 .2693 .5223 |
|
Fe4 .3803 .5102 .5144 |
|
Fe5 .0476 .3439 .5155 |
|
Fe6 .2153 .1784 .5180 |
|
Fe7 .4618 .4217 .5073 |
|
Fe8 .2964 .5921 .5125 |
|
Fe9 .1295 .5084 .5124 |
|
Fe10 .9679 .1768 .5164 |
|
Fe11 .0452 .0893 .5095 |
|
Fe12 .3828 .2617 .5153 |
|
Fe13 .5416 .3321 .4984 |
|
Fe14 .2087 .6698 .5035 |
|
Fe15 .9637 .4212 .5058 |
|
Fe16 .8772 .2541 .5061 |
|
Fe17 .7931 .0841 .5036 |
|
Fe18 .8732 -.0021 .4972 |
|
Fe19 .2947 .0882 .5075 |
|
Fe20 .3747 .0009 .5004 |
|
Fe21 .4616 .1711 .5043 |
|
Fe22 .3752 .7519 .5028 |
|
Fe23 .2905 .8323 .4992 |
|
Fe24 .5420 .0832 .5003 |
|
Si1 .2804 .2733 .2901 |
|
Si2 .1991 .3526 .2869 |
|
Si3 .0380 .2717 .2876 |
|
Si4 .9582 .1107 .2882 |
|
Si5 .0390 .0298 .2872 |
|
Si6 .2029 .1141 .2933 |
|
Si7 .4320 .3383 .2681 |
|
Si8 .2744 .5075 .2772 |
|
Si9 .9534 .3451 .2751 |
|
Si10 .7952 .0274 .2841 |
|
Si11 .9530 .8591 .2728 |
|
Si12 .2797 .0268 .2821 |
|
Si13 .5059 .4910 .2552 |
|
Si14 .4306 .5798 .2648 |
|
Si15 .1940 .5873 .2722 |
|
Si16 .0307 .5022 .2684 |
|
Si17 .7899 .2606 .2703 |
|
Si18 .7090 .0993 .2710 |
|
Si19 .7066 .8552 .2678 |
|
Si20 .7872 .7728 .2623 |
|
Si21 .0312 .7741 .2664 |
|
Si22 .1950 .8583 .2716 |
|
Si23 .4366 .0994 .2712 |
|
Si24 .5120 .2557 .2630 |
|
Si25 .8615 .5596 .1301 |
|
Si26 .7219 .5600 .1311 |
|
Si27 .5821 .4205 .1315 |
|
Si28 .5819 .2803 .1309 |
|
Si29 .7212 .2791 .1311 |
|
Si30 .8603 .4191 .1303 |
|
Si31 .5280 .8945 .1308 |
|
Si32 .3877 .8937 .1302 |
|
Si33 .2476 .7543 .1305 |
|
Si34 .2460 .6138 .1309 |
|
Si35 .3865 .6149 .1313 |
|
Si36 .5268 .7543 .1313 |
|
O1 .1801 .2865 .4307 |
|
O2 .1723 .5253 .4153 |
|
O3 .1683 .7695 .4023 |
|
O4 .1737 .0295 .4142 |
|
O5 .2562 .4452 .4209 |
|
O6 .2511 .6855 .4055 |
|
O7 .2526 .9391 .4045 |
|
O8 .2607 .2036 .4273 |
|
O9 .3383 .3627 .4241 |
|
O10 .3346 .6046 .4107 |
|
O11 .3349 .8538 .4056 |
|
O12 .3393 .1123 .4156 |
|
O13 .4188 .2730 .4115 |
|
O14 .4149 .5193 .4087 |
|
O15 .4160 .7686 .4046 |
|
O16 .4199 .0228 .4077 |
|
O17 .4963 .4307 .4015 |
|
O18 .4945 .6794 .3978 |
|
O19 .5024 .9361 .4048 |
|
O20 .5013 .1847 .4037 |
|
O21 .5791 .3430 .3951 |
|
O22 .5732 .5889 .3879 |
|
O23 .5821 .8500 .4016 |
|
O24 .5854 .1016 .4045 |
|
O25 .6673 .2635 .3991 |
|
O26 .6583 .5019 .3836 |
|
O27 .6624 .7626 .3932 |
|
O28 .6708 .0213 .4071 |
|
O29 .7459 .4235 .3895 |
|
O30 .7440 .6735 .3817 |
|
O31 .7507 .9349 .4005 |
|
O32 .7529 .1840 .4038 |
|
O33 .8387 .3502 .4038 |
|
O34 .8292 .5908 .3864 |
|
O35 .8333 .8500 .3950 |
|
O36 .8447 .1116 .4178 |
|
O37 .9233 .2738 .4125 |
|
O38 .9119 .5086 .3899 |
|
O39 .9098 .7599 .3850 |
|
O40 .9231 .0261 .4108 |
|
O41 .0052 .4375 .4087 |
|
O42 .0000 .6807 .3947 |
|
O43 .0057 .9416 .4064 |
|
O44 .0109 .1986 .4221 |
|
O45 .0931 .3635 .4215 |
|
O46 .0843 .5998 .4013 |
|
O47 .0845 .8529 .3994 |
|
O48 .0933 .1160 .4211 |
|
O49 .2221 .1652 .2497 |
|
O50 .2224 .2847 .2468 |
|
O51 .1010 .2826 .2454 |
|
O52 .9801 .1631 .2461 |
|
O53 .9825 .0437 .2459 |
|
O54 .1041 .0438 .2484 |
|
O55 .3366 .2757 .2378 |
|
O56 .2184 .4012 .2405 |
|
O57 .9791 .2800 .2396 |
|
O58 .8596 .0402 .2444 |
|
O59 .9794 .9180 .2382 |
|
O60 .2246 .0444 .2462 |
|
O61 .4506 .2656 .2240 |
|
O62 .4472 .3860 .2210 |
|
O63 .4505 .5083 .2190 |
|
O64 .3340 .5130 .2299 |
|
O65 .2133 .5158 .2339 |
|
O66 .0955 .5187 .2293 |
|
O67 .9789 .3957 .2311 |
|
O68 .8550 .2722 .2316 |
|
O69 .7323 .1525 .2297 |
|
O70 .7398 .0396 .2371 |
|
O71 .7369 .9153 .2348 |
|
O72 .7298 .7871 .2239 |
|
O73 .8542 .7927 .2268 |
|
O74 .9784 .7933 .2288 |
|
O75 .0964 .7883 .2280 |
|
O76 .2166 .9163 .2361 |
|
O77 .3399 .0380 .2357 |
|
O78 .4575 .1496 .2265 |
|
O79 .5613 .2572 .2012 |
|
O80 .5576 .4843 .1969 |
|
O81 .4368 .6137 .2033 |
|
O82 .2105 .6185 .2080 |
|
O83 .9605 .4907 .2054 |
|
O84 .7324 .2618 .2071 |
|
O85 .6077 .0133 .2058 |
|
O86 .6055 .7811 .2033 |
|
O87 .7300 .6563 .2005 |
|
O88 .9616 .6575 .2044 |
|
O89 .2115 .7845 .2070 |
|
O90 .4405 .0130 .2062 |
|
O91 .8454 .4906 .1493 |
|
O92 .8134 .5970 .1667 |
|
O93 .6728 .4951 .1548 |
|
O94 .5846 .3685 .1677 |
|
O95 .6718 .3164 .1519 |
|
O96 .8124 .3669 .1665 |
|
O97 .5555 .8551 .1674 |
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O98 .4544 .8839 .1501 |
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O99 .3266 .8546 .1665 |
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O100 .2782 .7082 .1495 |
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O101 .3249 .6255 .1671 |
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O102 .4546 .7107 .1531 |
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O103 .8241 .4906 .0000 |
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O104 .6683 .4881 .0000 |
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O105 .5125 .3321 .0000 |
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O106 .5102 .1776 .0000 |
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O107 .6673 .1761 .0000 |
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O108 .8230 .3314 .0000 |
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| 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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ScAlO3 |
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Sinclair W, Eggleton R A, Ringwood A E |
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Zeitschrift fur Kristallographie 149 (1979) 307-314 |
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Crystal synthesis and structure refinement of high-pressure ScAlO3 perovskite |
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_database_code_amcsd 0010808 |
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4.9355 5.2313 7.2007 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sc .9793 .0701 .25 .35 .0029 .0029 .0022 -.00025 0 0 |
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Al 0 .5 0 .29 .0022 .0028 .0018 -.00003 .00009 .00009 |
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O1 .1196 .4551 .25 .34 .0034 .0036 .0014 -.0009 0 0 |
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O2 .6906 .3061 .0611 .37 .0029 .0032 .0023 -.0004 .0003 -.0004 |
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| 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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