|
Apjohnite |
 |
Menchetti S, Sabelli C |
 |
Mineralogical Magazine 40 (1976) 599-608 |
|
The halotrichite group: The crystal structure of apjohnite |
|
Locality: Terlano, Bolzano, Italy |
|
_database_code_amcsd 0014465 |
|
6.198 24.347 21.266 90 100.28 90 P2_1/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mn .36995 .59600 .08053 .64 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Mg .36995 .59600 .08053 .28 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Zn .36995 .59600 .08053 .06 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Fe .36995 .59600 .08053 .02 1.09 .00757 .00040 .00064 -.00018 .00002 -.00005 |
|
Al1 .44015 .61206 .42426 1.29 .00892 .00046 .00078 -.00021 .00003 .00004 |
|
Al2 .68679 .34315 .19779 1.24 .00937 .00047 .00067 .00011 .00026 -.00003 |
|
S1 .08662 .24404 .52658 1.45 .00985 .00053 .00090 -.00015 .00016 -.00002 |
|
S2 .96419 .46510 .38825 1.32 .00972 .00051 .00071 -.00024 .00024 -.00002 |
|
S3 .14189 .19411 .25596 1.49 .01099 .00063 .00076 .00055 .00052 .00011 |
|
S4 .16025 .47277 .10454 1.59 .01214 .00061 .00081 -.00052 .00011 .00010 |
|
O1 .1310 .2170 .4679 2.81 .02080 .00111 .00166 -.00049 .00212 -.00058 |
|
O2 .0271 .3022 .5126 2.23 .01399 .00061 .00175 .00007 .00045 .00009 |
|
O3 -.0941 .2154 .5490 2.47 .01751 .00117 .00118 -.00110 .00119 .00010 |
|
O4 .2866 .2426 .5763 2.75 .01602 .00096 .00177 .00019 -.00164 .00007 |
|
O5 .0118 .4371 .3311 2.40 .01640 .00100 .00137 .00013 .00087 -.00048 |
|
O6 .9042 .5228 .3727 2.21 .01487 .00066 .00155 .00057 .00013 .00015 |
|
O7 .1656 .4644 .4380 2.51 .01799 .00083 .00131 -.00068 -.00220 .00027 |
|
O8 .7860 .4360 .4119 2.83 .01966 .00132 .00144 -.00176 .00150 .00002 |
|
O9 .1249 .1833 .3228 3.20 .02901 .00149 .00110 .00215 .00214 .00042 |
|
O10 .2217 .2505 .2490 2.58 .01528 .00073 .00204 -.00083 .00028 .00014 |
|
O11 -.0809 .1890 .2155 2.67 .01456 .00116 .00167 .00018 .00003 -.00028 |
|
O12 .2933 .1541 .2342 2.56 .02066 .00108 .00124 .00258 .00160 .00028 |
|
O13 .1610 .4437 .1659 2.74 .01670 .00127 .00162 .00144 .00146 .00080 |
|
O14 .2279 .4341 .0593 3.65 .02299 .00195 .00177 -.00094 .00225 -.00079 |
|
O15 -.0616 .4935 .0801 2.97 .01825 .00128 .00162 -.00016 -.00064 .00023 |
|
O16 .3170 .5185 .1176 3.24 .02004 .00086 .00231 -.00226 -.00216 .00032 |
|
O17 .7097 .5854 .1272 2.47 .01574 .00102 .00153 .00023 .00099 -.00015 |
|
O18 .3275 .6323 .1728 2.93 .01406 .00150 .00173 .00072 .00047 -.00048 |
|
O19 .4403 .6756 .0437 3.17 .01743 .00121 .00207 -.00142 -.00103 .00046 |
|
O20 .0329 .6122 .0451 2.30 .01618 .00101 .00119 .00008 .00073 -.00020 |
|
O21 .4004 .5611 -.0100 4.82 .02371 .00241 .00304 -.00114 .00205 -.00099 |
|
O22 .4974 .5572 .3680 2.02 .01255 .00088 .00117 -.00009 .00040 -.00010 |
|
O23 .1491 .6181 .3781 1.84 .00971 .00069 .00132 -.00011 .00004 .00012 |
|
O24 .5339 .6666 .3724 1.89 .01434 .00069 .00103 -.00023 .00038 .00004 |
|
O25 .3746 .6674 .4798 2.11 .01164 .00088 .00143 .00033 .00072 -.00028 |
|
O26 .7283 .6076 .4709 1.79 .01285 .00072 .00092 -.00038 -.00011 .00012 |
|
O27 .3524 .5570 .4763 1.99 .01765 .00072 .00094 -.00092 .00090 .00002 |
|
O28 .5345 .3423 .1120 1.98 .01460 .00082 .00092 .00025 -.00068 .00004 |
|
O29 .9393 .3164 .1698 1.98 .01346 .00085 .00109 .00063 .00071 -.00004 |
|
O30 .6010 .2698 .2096 1.88 .01216 .00074 .00113 .00006 .00024 .00006 |
|
O31 .8392 .3437 .2828 2.21 .01645 .00091 .00109 .00015 .00021 -.00001 |
|
O32 .4301 .3678 .2238 1.89 .01218 .00090 .00104 .00079 .00122 .00002 |
|
O33 .7696 .4155 .1850 2.14 .01549 .00074 .00133 -.00024 .00064 .00002 |
|
O34 .8038 .2629 .3618 5.64 .05442 .00226 .00205 .00337 .00269 .00036 |
|
O35 .2122 .5394 .2608 4.45 .03324 .00206 .00197 -.00126 .00111 -.00034 |
|
O36 .6806 .5091 .2345 3.53 .02919 .00128 .00175 .00126 .00055 .00008 |
|
O37 .4190 .3913 .3425 3.22 .01942 .00163 .00168 .00051 .00117 -.00032 |
|
O38 .4073 .2954 .4097 4.38 .03362 .00196 .00183 -.00075 -.00004 .00001 |
|
H1 .781 .620 .142 |
|
H2 .793 .561 .112 |
|
H3 .210 .647 .173 |
|
H4 .442 .643 .196 |
|
H5 .580 .690 .040 |
|
H6 .320 .690 .010 |
|
H7 -.015 .651 .040 |
|
H8 -.029 .593 .008 |
|
H9 .520 .560 -.030 |
|
H10 .290 .540 -.030 |
|
H11 .632 .543 .380 |
|
H12 .421 .548 .329 |
|
H13 .068 .585 .377 |
|
H14 .137 .644 .346 |
|
H15 .608 .703 .399 |
|
H16 .607 .658 .348 |
|
H17 .225 .679 .476 |
|
H18 .491 .690 .521 |
|
H19 .828 .641 .483 |
|
H20 .764 .585 .510 |
|
H21 .307 .519 .460 |
|
H22 .302 .563 .510 |
|
H23 .450 .310 .100 |
|
H24 .430 .370 .090 |
|
H25 .913 .310 .120 |
|
H26 .048 .293 .197 |
|
H27 .474 .266 .226 |
|
H28 .711 .248 .211 |
|
H29 .888 .381 .303 |
|
H30 .830 .310 .310 |
|
H31 .442 .379 .260 |
|
H32 .332 .398 .195 |
|
H33 .718 .455 .209 |
|
H34 .920 .430 .190 |
|
H35 .732 .262 .326 |
|
H36 .953 .232 .366 |
|
H37 .214 .570 .235 |
|
H38 .190 .510 .230 |
|
H39 .690 .540 .200 |
|
H40 .750 .510 .280 |
|
H41 .547 .412 .361 |
|
H42 .292 .417 .338 |
|
H43 .506 .280 .385 |
|
H44 .410 .330 .390 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
