|
Brandholzite |
 |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
 |
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
|
_database_code_amcsd 0002426 |
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16.119 16.119 9.868 90 90 120 P3 |
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atom x y z Uiso |
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Sb1 0 0 0 .0109 |
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Sb2 2/3 1/3 -.08211 .0107 |
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Sb3 1/3 2/3 .00883 .0104 |
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Sb4 0 0 .49757 .0103 |
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Sb5 2/3 1/3 .42305 .0101 |
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Sb6 1/3 2/3 .50490 .0100 |
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Sb7 .32739 -.00737 .47077 .0113 |
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Sb8 .66781 .00662 .45371 .0108 |
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Mg1 .33825 .00882 -.03108 .0142 |
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Mg2 .66274 -.00884 -.04466 .0149 |
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H21 .528 .297 .555 .037 |
|
H22 .575 .185 .328 .037 |
|
H23 .271 .513 .607 .037 |
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H24 .360 .806 .375 .037 |
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H25 .286 .096 .356 .037 |
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H26 .429 .149 .558 .037 |
|
H27 .474 .025 .349 .037 |
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H28 .363 -.110 .597 .037 |
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H29 .221 -.145 .358 .037 |
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H30 .198 -.046 .595 .037 |
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H31 .568 .050 .573 .037 |
|
H32 .704 .145 .308 .037 |
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H33 .812 .116 .572 .037 |
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H34 .769 -.042 .356 .037 |
|
H35 .643 -.134 .581 .037 |
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H36 .514 -.096 .366 .037 |
|
H01 .017 .099 -.187 .037 |
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H02 .101 .100 .181 .037 |
|
H03 .573 .239 -.263 .037 |
|
H04 .672 .239 .085 .037 |
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H05 .329 .571 .196 .037 |
|
H06 .337 .771 -.182 .037 |
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H071 .330 .150 -.122 .037 |
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H072 .339 .118 -.222 .037 |
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H081 .464 .169 .074 .037 |
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H082 .433 .104 .178 .037 |
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H091 .447 .010 -.228 .037 |
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H092 .495 .090 -.153 .037 |
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H101 .349 -.089 .169 .037 |
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H102 .363 -.126 .040 .037 |
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H111 .233 -.101 -.250 .037 |
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H112 .205 -.146 -.131 .037 |
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H121 .178 -.023 .051 .037 |
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H122 .228 -.003 .170 .037 |
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H131 .529 .012 .042 .037 |
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H132 .568 .009 .153 .037 |
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H141 .671 .106 -.229 .037 |
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H142 .687 .154 -.114 .037 |
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H151 .818 .060 .089 .037 |
|
H152 .765 .087 .156 .037 |
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H161 .775 .009 -.244 .037 |
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H162 .795 -.045 -.155 .037 |
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H171 .576 -.162 .086 .037 |
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H172 .654 -.109 .165 .037 |
|
H181 .500 -.136 -.158 .037 |
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H182 .552 -.107 -.250 .037 |
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H19 .033 .132 .372 .037 |
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H20 .156 .096 .599 .037 |
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O1 .0335 .1144 -.1107 .0176 |
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O2 .1132 .0835 .1123 .0186 |
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O3 .5822 .2204 -.1939 .0172 |
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O4 .6962 .2494 .0283 .0170 |
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O5 .3049 .5543 .1205 .0175 |
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O6 .3635 .7805 -.1021 .0176 |
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O7 .3147 .0983 -.1531 .0241 |
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O8 .4311 .1157 .0942 .0277 |
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O9 .4532 .0333 -.1505 .0204 |
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O10 .3626 -.0845 .0861 .0208 |
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O11 .2517 -.1062 -.1534 .0226 |
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O12 .2227 -.0206 .0869 .0223 |
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O13 .5762 .0190 .0784 .0233 |
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O14 .6914 .1107 -.1570 .0207 |
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O15 .7782 .0775 .0751 .0195 |
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O16 .7547 -.0277 -.1709 .0218 |
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O17 .6328 -.1266 .0706 .0231 |
|
O18 .5524 -.0982 -.1673 .0281 |
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O19 .0648 .1141 .3770 .0157 |
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O20 .1135 .0411 .6127 .0166 |
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O21 .5522 .2693 .5424 .0154 |
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O22 .6218 .2189 .3076 .0173 |
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O23 .2648 .5522 .6189 .0174 |
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O24 .3946 .7809 .3844 .0160 |
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O25 .2607 .0407 .3524 .0193 |
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O26 .3740 .1100 .5807 .0166 |
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O27 .4435 .0564 .3556 .0163 |
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O28 .3965 -.0510 .5901 .0182 |
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O29 .2803 -.1236 .3575 .0183 |
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O30 .2117 -.0734 .5860 .0173 |
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O31 .6215 .0747 .5732 .0177 |
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O32 .7343 .1190 .3335 .0164 |
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O33 .7842 .0595 .5679 .0165 |
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O34 .7100 -.0652 .3390 .0169 |
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O35 .6074 -.1073 .5751 .0167 |
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O36 .5500 -.0413 .3456 .0153 |
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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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Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Wildner M, Tillmanns E, Merz P L |
|
American Mineralogist 85 (2000) 593-599 |
|
Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, |
|
and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) |
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_database_code_amcsd 0002427 |
|
16.105 16.105 9.851 90 90 120 P3 |
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atom x y z Uiso |
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Sb1 0 0 0 .0107 |
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Sb2 2/3 1/3 -.00850 .0116 |
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Sb3 1/3 2/3 -.09218 .0118 |
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Sb4 0 0 .49620 .0104 |
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Sb5 2/3 1/3 .48833 .0119 |
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Sb6 1/3 2/3 .41225 .0106 |
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Sb7 .33208 .00551 .46350 .0125 |
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Sb8 .66045 -.00523 .44466 .0100 |
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Co1 .33755 -.00376 -.03589 .0165 |
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Co2 .67454 .00358 -.05172 .0146 |
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O1 .0295 .1136 -.1118 .0168 |
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O2 .1115 .0847 .1127 .0183 |
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O3 .7470 .2999 -.1210 .0196 |
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O4 .7795 .4172 .1031 .0175 |
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O5 .3625 .5827 .0196 .0189 |
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O6 .3045 .7501 -.2062 .0205 |
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O7 .3059 .0813 -.1649 .0222 |
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O8 .4228 .1141 .0816 .0234 |
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O9 .4526 .0231 -.1658 .0254 |
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O10 .3565 -.0941 .0875 .0280 |
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O11 .2466 -.1217 -.1602 .0210 |
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O12 .2180 -.0302 .0812 .0206 |
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O13 .5878 .0349 .0648 .0195 |
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O14 .6962 .1165 -.1828 .0195 |
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O15 .7944 .0933 .0617 .0248 |
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O16 .7633 -.0207 -.1787 .0291 |
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O17 .6451 -.1129 .0692 .0219 |
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O18 .5535 -.0855 -.1688 .0180 |
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O19 .0617 .1145 .3751 .0147 |
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O20 .1146 .0457 .6099 .0172 |
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O21 .7810 .3748 .6027 .0175 |
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O22 .7155 .2681 .3667 .0160 |
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O23 .2184 .6033 .5322 .0163 |
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O24 .4479 .7357 .2973 .0175 |
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O25 .2631 .0532 .3474 .0165 |
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O26 .3816 .1210 .5767 .0166 |
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O27 .4469 .0718 .3425 .0176 |
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O28 .4038 -.0409 .5705 .0171 |
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O29 .2805 -.1100 .3451 .0162 |
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O30 .2189 -.0640 .5804 .0174 |
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O31 .6077 .0577 .5575 .0170 |
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O32 .7320 .1078 .3270 .0161 |
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O33 .7746 .0488 .5639 .0181 |
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O34 .7092 -.0744 .3336 .0162 |
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O35 .5929 -.1200 .5623 .0180 |
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O36 .5478 -.0516 .3216 .0168 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Uvarovite |
|
Wildner M, Andrut M |
|
American Mineralogist 86 (2001) 1231-1251 |
|
The crystal chemistry of birefringent natural uvarovites: Part II. |
|
Single-crystal X-ray structures |
|
Sample: Sar-k12 |
|
_database_code_amcsd 0002723 |
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11.965 11.965 11.965 90 90.14 90.01 I-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .12500 -.00015 .25003 .0056 .0041 .0063 .0063 .0000 -.0001 .0009 |
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Ca2 .37504 -.00012 .75000 .0056 .0041 .0064 .0063 .0000 -.0002 -.0011 |
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Ca3 .24999 .12501 .00000 .0056 .0065 .0040 .0064 -.0001 .0009 .0000 |
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Ca4 .74998 .37501 -.00003 .0056 .0065 .0039 .0065 -.0001 -.0013 .0000 |
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Ca5 .00003 .25016 .12503 .0056 .0064 .0063 .0040 .0010 -.0000 .0000 |
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Ca6 -.00001 .75019 .37484 .0056 .0065 .0063 .0041 -.0011 -.0002 .0000 |
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Cr1 0 0 0 .861 .0038 .0040 .0036 .0037 -.0000 -.0000 -.0001 |
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Al1 0 0 0 .139 .0038 .0040 .0036 .0037 -.0000 -.0000 -.0001 |
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Cr2 1/2 0 1/2 .524 .0039 .0040 .0036 .0039 -.0001 -.0002 .0001 |
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Al2 1/2 0 1/2 .476 .0039 .0040 .0036 .0039 -.0001 -.0002 .0001 |
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Cr3 0 1/2 1/2 .910 .0040 .0042 .0038 .0039 -.0000 -.0001 -.0000 |
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Al3 0 1/2 1/2 .090 .0040 .0042 .0038 .0039 -.0000 -.0001 -.0000 |
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Cr4 1/2 1/2 0 .572 .0040 .0042 .0039 .0038 .0001 -.0003 .0001 |
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Al4 1/2 1/2 0 .428 .0040 .0042 .0039 .0038 .0001 -.0003 .0001 |
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Cr5 3/4 .25 .25 .644 .0039 .0041 .0037 .0041 -.0000 -.0003 .0001 |
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Al5 3/4 .25 .25 .356 .0039 .0041 .0037 .0041 -.0000 -.0003 .0001 |
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Cr6 3/4 3/4 3/4 .929 .0038 .0039 .0037 .0039 .0000 -.0002 -.0000 |
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Al6 3/4 3/4 3/4 .071 .0038 .0039 .0037 .0039 .0000 -.0002 -.0000 |
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Cr7 .25 .25 3/4 .866 .0039 .0041 .0038 .0039 -.0001 -.0002 -.0000 |
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Al7 .25 .25 3/4 .134 .0039 .0041 .0038 .0039 -.0001 -.0002 -.0000 |
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Cr8 .25 3/4 .25 .543 .0040 .0042 .0037 .0041 -.0002 -.0003 -.0001 |
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Al8 .25 3/4 .25 .457 .0040 .0042 .0037 .0041 -.0002 -.0003 -.0001 |
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Si1 .37495 -.00071 .25061 .0041 .0040 .0041 .0042 .0000 -.0002 -.0000 |
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Si2 .12497 -.00041 .74957 .0041 .0040 .0041 .0042 -.0002 -.0001 .0000 |
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Si3 .24989 .37564 -.00012 .0047 .0052 .0041 .0048 -.0001 -.0003 .0001 |
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Si4 .75012 .12560 -.00021 .0047 .0047 .0041 .0052 -.0002 -.0003 .0000 |
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Si5 -.00044 .24941 .37512 .0041 .0043 .0042 .0039 -.0001 -.0001 -.0001 |
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Si6 .00055 .74938 .12496 .0044 .0048 .0045 .0041 -.0000 -.0002 .0002 |
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O1 .03881 .04655 .65278 .0054 .0053 .0062 .0046 .0003 -.0006 .0004 |
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O2 .46096 -.04767 .15413 .0051 .0057 .0055 .0042 .0004 .0007 -.0002 |
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O3 -.03881 .54625 -.15262 .0055 .0055 .0064 .0045 -.0003 -.0004 -.0009 |
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O4 .53912 .45266 -.65393 .0053 .0051 .0063 .0045 -.0002 .0005 .0001 |
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O5 .65383 .03933 .04743 .0056 .0049 .0061 .0059 -.0001 .0001 -.0006 |
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O6 .15274 .46185 -.04671 .0055 .0048 .0058 .0060 .0001 -.0003 .0002 |
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O7 -.15286 -.03829 .54666 .0055 .0046 .0058 .0061 .0002 -.0003 -.0003 |
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O8 -.65373 .53922 .45255 .0055 .0050 .0058 .0057 .0000 .0000 .0001 |
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O9 .04682 .65255 .03857 .0055 .0058 .0051 .0055 .0003 .0003 -.0001 |
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O10 -.04686 .15266 .46143 .0054 .0059 .0053 .0050 -.0006 .0004 .0002 |
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O11 .54718 -.15407 -.03896 .0053 .0060 .0049 .0049 -.0005 .0000 -.0005 |
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O12 .45301 -.65406 .53900 .0055 .0060 .0047 .0058 .0003 -.0001 .0000 |
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O13 .79663 .28823 -.40270 .0055 .0065 .0050 .0050 .0003 -.0001 -.0003 |
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O14 .70279 .71067 .09642 .0054 .0059 .0058 .0045 -.0003 .0000 .0001 |
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O15 .29759 .21072 .40398 .0054 .0058 .0061 .0042 .0003 .0001 -.0001 |
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O16 .20298 .78818 .90310 .0056 .0063 .0058 .0047 -.0001 -.0002 .0001 |
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O17 .78908 .90396 .20299 .0053 .0054 .0044 .0060 -.0003 -.0001 -.0006 |
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O18 .21081 .40426 .29702 .0054 .0052 .0050 .0058 .0003 -.0005 .0004 |
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O19 .71129 .09750 .70299 .0054 .0053 .0051 .0060 -.0003 .0002 .0004 |
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O20 .28886 -.40303 .79688 .0053 .0054 .0046 .0058 .0002 .0001 -.0003 |
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O21 .40410 .29770 .21084 .0051 .0042 .0061 .0050 .0004 .0003 -.0005 |
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O22 .90263 .20371 .78876 .0057 .0051 .0061 .0059 -.0009 .0001 -.0004 |
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O23 -.40396 .79750 .28903 .0053 .0044 .0060 .0054 -.0004 .0003 -.0001 |
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O24 .09705 .70338 .71098 .0054 .0048 .0064 .0050 .0006 -.0001 .0002 |
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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
|
| |
|
Uvarovite |
|
Wildner M, Andrut M |
|
American Mineralogist 86 (2001) 1231-1251 |
|
The crystal chemistry of birefringent natural uvarovites: Part II. |
|
Single-crystal X-ray structures |
|
Sample: Sar-899 |
|
_database_code_amcsd 0002724 |
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11.959 16.958 16.958 90 90 90 *Fddd |
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.125 .125 .125 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca11256 .00019 .06251 -.18750 .0056 .0063 .0051 .0053 -.0007 .0007 -.0011 |
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Ca23 -1/8 -1/8 -1/8 .0055 .0039 .0053 .0074 0 0 0 |
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Ca34 -3/8 -3/8 -3/8 .0055 .0039 .0072 .0055 0 0 0 |
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Cr11367 0 0 0 .888 .0038 .0037 .0036 .0040 -.0000 .0001 .0000 |
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Al11367 0 0 0 .112 .0038 .0037 .0036 .0040 -.0000 .0001 .0000 |
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Cr22458 0 0 -1/2 .535 .0036 .0035 .0036 .0037 .0000 .0000 -.0001 |
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Al22458 0 0 -1/2 .465 .0036 .0035 .0036 .0037 .0000 .0000 -.0001 |
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Si11256 .00068 -.06221 -.31277 .0041 .0041 .0038 .0043 .0001 .0001 -.0001 |
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Si234 -.37565 -1/8 -1/8 .0041 .0037 .0040 .0045 0 0 .0002 |
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O1 -.04628 .30693 -.34570 .0055 .0059 .0056 .0051 -.0001 .0006 .0001 |
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O2 .04757 .34657 -.80752 .0052 .0058 .0045 .0053 .0004 -.0000 .0004 |
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O3 -.03936 -.30325 -.35060 .0055 .0057 .0050 .0057 -.0002 -.0002 -.0007 |
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O4 -.46170 -.59976 -.55307 .0056 .0056 .0065 .0047 .0000 .0004 -.0005 |
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O5 -.65255 -.00410 -.04280 .0054 .0050 .0052 .0061 .0003 .0002 .0003 |
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O6 .15414 -.29305 -.25395 .0055 .0047 .0061 .0056 .0001 -.0006 .0004 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Uvarovite |
|
Wildner M, Andrut M |
|
American Mineralogist 86 (2001) 1231-1251 |
|
The crystal chemistry of birefringent natural uvarovites: Part II. |
|
Single-crystal X-ray structures |
|
Sample: Ska-1 |
|
_database_code_amcsd 0002725 |
|
11.925 11.926 11.926 90.04 90.10 90.04 I-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .12514 -.00024 .25007 .0056 .0040 .0063 .0066 .0001 .0000 .0008 |
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Ca2 .37506 -.00017 .74998 .0056 .0039 .0062 .0066 .0001 -.0001 -.0012 |
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Ca3 .25012 .12498 -.00000 .0056 .0062 .0040 .0066 -.0000 .0009 -.0002 |
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Ca4 .75014 .37491 -.00009 .0056 .0062 .0039 .0067 .0000 -.0010 -.0001 |
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Ca5 -.00003 .25016 .12501 .0056 .0062 .0063 .0043 .0010 .0001 -.0002 |
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Ca6 .00011 .75006 .37495 .0056 .0063 .0064 .0042 -.0009 .0001 -.0002 |
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Cr1 0 0 0 .746 .0041 .0040 .0039 .0042 -.0000 -.0001 -.0001 |
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Al1 0 0 0 .254 .0041 .0040 .0039 .0042 -.0000 -.0001 -.0001 |
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Cr2 1/2 0 1/2 .347 .0037 .0035 .0036 .0040 -.0001 .0001 -.0002 |
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Al2 1/2 0 1/2 .653 .0037 .0035 .0036 .0040 -.0001 .0001 -.0002 |
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Cr3 0 1/2 1/2 .431 .0040 .0040 .0038 .0042 -.0001 -.0001 -.0001 |
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Al3 0 1/2 1/2 .569 .0040 .0040 .0038 .0042 -.0001 -.0001 -.0001 |
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Cr4 1/2 1/2 0 .526 .0037 .0034 .0035 .0040 .0000 -.0000 -.0002 |
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Al4 1/2 1/2 0 .474 .0037 .0034 .0035 .0040 .0000 -.0000 -.0002 |
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Cr5 3/4 .25 .25 .483 .0040 .0039 .0039 .0042 .0001 -.0000 -.0001 |
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Al5 3/4 .25 .25 .517 .0040 .0039 .0039 .0042 .0001 -.0000 -.0001 |
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Cr6 3/4 3/4 3/4 .722 .0039 .0038 .0038 .0041 .0002 -.0001 -.0001 |
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Al6 3/4 3/4 3/4 .278 .0039 .0038 .0038 .0041 .0002 -.0001 -.0001 |
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Cr7 .25 .25 3/4 .709 .0040 .0039 .0040 .0042 .0001 .0001 -.0002 |
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Al7 .25 .25 3/4 .291 .0040 .0039 .0040 .0042 .0001 .0001 -.0002 |
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Cr8 .25 3/4 .25 .280 .0035 .0032 .0034 .0039 .0001 .0000 -.0002 |
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Al8 .25 3/4 .25 .720 .0035 .0032 .0034 .0039 .0001 .0000 -.0002 |
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Si1 .37519 -.00085 .25005 .0040 .0036 .0039 .0046 .0001 -.0000 -.0001 |
|
Si2 .12518 -.00052 .74975 .0040 .0035 .0040 .0044 .0001 -.0002 -.0002 |
|
Si3 .24957 .37549 .00001 .0040 .0040 .0034 .0045 .0001 -.0002 -.0001 |
|
Si4 .74930 .12542 -.00040 .0040 .0040 .0035 .0045 .0001 -.0003 -.0000 |
|
Si5 -.00039 .25029 .37519 .0040 .0041 .0042 .0038 -.0001 -.0001 -.0003 |
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Si6 .00086 .74925 .12516 .0040 .0040 .0041 .0039 .0001 .0000 -.0002 |
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O1 .03883 .04655 .65277 .0056 .0054 .0064 .0049 .0007 -.0004 .0005 |
|
O2 .46161 -.04652 1.15259 .0053 .0050 .0060 .0049 .0002 .0005 -.0006 |
|
O3 -.03863 .54557 -.15223 .0057 .0059 .0060 .0052 .0000 -.0004 -.0005 |
|
O4 .53897 .45257 -.65358 .0054 .0057 .0060 .0046 -.0003 .0007 .0004 |
|
O5 .65230 .03907 .04603 .0054 .0044 .0052 .0066 -.0004 .0012 .0002 |
|
O6 1.15216 .46157 -.04633 .0053 .0046 .0050 .0063 .0004 -.0003 .0003 |
|
O7 -.15311 -.03832 .54684 .0054 .0049 .0054 .0059 -.0003 -.0002 -.0006 |
|
O8 -.65379 .53901 .45298 .0055 .0047 .0055 .0062 .0006 .0007 -.0007 |
|
O9 .04659 .65203 .03842 .0055 .0060 .0049 .0055 .0003 .0008 -.0003 |
|
O10 -.04678 1.15310 .46142 .0055 .0063 .0049 .0054 -.0004 .0006 .0003 |
|
O11 .54633 -.15250 -.03855 .0054 .0060 .0048 .0055 -.0006 -.0001 -.0006 |
|
O12 .45357 -.65371 .53922 .0053 .0060 .0045 .0055 .0002 -.0004 .0002 |
|
O13 .79631 .28818 -.40198 .0054 .0060 .0048 .0054 .0004 -.0002 .0005 |
|
O14 .70326 .71074 .09667 .0055 .0062 .0053 .0050 .0001 .0006 -.0007 |
|
O15 .29731 .21101 1.40331 .0055 .0055 .0059 .0050 -.0005 .0008 .0000 |
|
O16 .20406 .78855 .90276 .0055 .0058 .0056 .0052 -.0005 -.0001 -.0005 |
|
O17 .78871 .90351 .20299 .0055 .0054 .0048 .0064 -.0004 -.0003 -.0007 |
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O18 .21081 1.40372 .29664 .0053 .0049 .0047 .0064 .0004 .0000 .0004 |
|
O19 .71134 .09825 .70410 .0054 .0048 .0051 .0061 -.0005 .0005 .0003 |
|
O20 .28853 -.40247 .79675 .0054 .0050 .0045 .0068 .0003 .0007 -.0006 |
|
O21 1.40345 .29670 .21078 .0054 .0045 .0062 .0054 .0007 .0007 -.0004 |
|
O22 .90179 .20424 .78851 .0054 .0048 .0060 .0053 -.0004 -.0004 -.0006 |
|
O23 -.40363 .79704 .28885 .0056 .0049 .0066 .0053 -.0005 .0006 .0001 |
|
O24 .09746 .70340 .71145 .0053 .0046 .0058 .0055 .0010 -.0002 .0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co(H2O)6[Sb(OH)6]2 |
| |
Friedrich A, Mazzi F, Wildner M, Tillmanns E |
|
American Mineralogist 88 (2003) 462-463 |
|
Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite |
|
_database_code_amcsd 0002989 |
|
16.105 16.105 9.851 90 90 120 P3 |
|
atom x y z Uiso |
|
Sb1 0 0 .00000 .0116 |
|
Sb2 2/3 1/3 -.08368 .0118 |
|
Sb3 1/3 2/3 .00850 .0107 |
|
Co1 .33709 .00798 -.02739 .0165 |
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Co2 .66237 -.00787 -.04322 .0146 |
|
O1 .0334 .1138 -.1125 .0196 |
|
O2 .1128 .0839 .1116 .0175 |
|
O3 .5832 .2211 -.1977 .0205 |
|
O4 .6958 .2494 .0281 .0189 |
|
O5 .3035 .5522 .1212 .0183 |
|
O6 .3628 .7803 -.1033 .0168 |
|
O7 .3102 .0962 -.1573 .0254 |
|
O8 .4274 .1173 .0960 .0280 |
|
O9 .4550 .0350 -.1517 .0210 |
|
O10 .3635 -.0851 .0897 .0206 |
|
O11 .2520 -.1087 -.1564 .0222 |
|
O12 .2193 -.0246 .0901 .0234 |
|
O13 .5753 .0216 .0777 .0219 |
|
O14 .6943 .1132 -.1603 .0180 |
|
O15 .7804 .0789 .0733 .0195 |
|
O16 .7536 -.0295 -.1743 .0195 |
|
O17 .6322 -.1277 .0702 .0248 |
|
O18 .5493 -.0966 -.1702 .0291 |
|
Sb4 0 0 .49683 .0119 |
|
Sb5 2/3 1/3 .42075 .0106 |
|
Sb6 1/3 2/3 .50470 .0104 |
|
Sb7 .32782 -.00676 .47200 .0125 |
|
Sb8 .66765 .00622 .45316 .0100 |
|
O19 .0652 .1141 .3752 .0160 |
|
O20 .1143 .0415 .6112 .0175 |
|
O21 .5517 .2670 .5407 .0163 |
|
O22 .6211 .2188 .3058 .0175 |
|
O23 .2644 .5521 .6184 .0172 |
|
O24 .3950 .7812 .3836 .0147 |
|
O25 .2615 .0418 .3510 .0176 |
|
O26 .3742 .1114 .5790 .0171 |
|
O27 .4433 .0572 .3536 .0162 |
|
O28 .3973 -.0504 .5889 .0174 |
|
O29 .2801 -.1234 .3559 .0165 |
|
O30 .2123 -.0727 .5852 .0166 |
|
O31 .6204 .0738 .5708 .0180 |
|
O32 .7339 .1189 .3301 .0168 |
|
O33 .7833 .0590 .5660 .0170 |
|
O34 .7091 -.0653 .3355 .0161 |
|
O35 .6075 -.1079 .5724 .0181 |
|
O36 .5497 -.0425 .3421 .0162 |
|
|
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|
| |
|
Erythrite |
|
Wildner M, Giester G, Lengauer C L, McCammon C A |
| |
European Journal of Mineralogy 8 (1996) 187-192 |
|
Structure and crystal chemistry of vivianite-type compounds: Crystal |
|
structures of erythrite and annabergite with a Mossbauer study of erythrite |
|
_database_code_amcsd 0006617 |
|
10.251 13.447 4.764 90 104.98 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CoMe1 0 0 0 .0112 .0170 .0080 0 -.0005 0 |
|
CoMe2 0 .38512 0 .505 .0136 .0156 .0099 0 .0010 0 |
|
FeMe2 0 .38512 0 .37 .0136 .0156 .0099 0 .0010 0 |
|
NiMe2 0 .38512 0 .125 .0136 .0156 .0099 0 .0010 0 |
|
As .31621 0 .37235 .0100 .0146 .0071 0 -.0002 0 |
|
O1 .1493 0 .3748 .0097 .0227 .0094 0 .0005 0 |
|
O2 .4057 0 .7226 .0166 .0176 .0058 0 -.0025 0 |
|
O3 .3433 .1067 .2087 .0157 .0151 .0140 -.0005 .0035 .0027 |
|
OW1 .0978 .1137 .8067 .0156 .0227 .0139 -.0019 .0010 -.0011 |
|
OW2 .3995 .2273 .7133 .0279 .0221 .0169 .0021 .0037 .0020 |
|
H11 .119 .091 .657 .0156 |
|
H12 .163 .127 .902 .0306 |
|
H21 .368 .208 .536 .0464 |
|
H22 .448 .282 .714 .0416 |
|
|
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|
| |
|
Annabergite |
|
Wildner M, Giester G, Lengauer C L, McCammon C A |
| |
European Journal of Mineralogy 8 (1996) 187-192 |
|
Structure and crystal chemistry of vivianite-type compounds: Crystal |
|
structures of erythrite and annabergite with a Mossbauer study of erythrite |
|
_database_code_amcsd 0006618 |
|
10.179 13.309 4.725 90 105.00 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NiMe1 0 0 0 .99 .0112 .0170 .0080 0 -.0005 0 |
|
MgMe1 0 0 0 .01 .0112 .0170 .0080 0 -.0005 0 |
|
NiMe2 0 .38583 0 .825 .0128 .0124 .0114 0 .0031 0 |
|
MgMe2 0 .38583 0 .175 .0128 .0124 .0114 0 .0031 0 |
|
As .31620 0 .37558 .0102 .0122 .0095 0 .0023 0 |
|
O1 .1491 0 .3807 .0102 .0122 .0095 0 .0023 0 |
|
O2 .4072 0 .7287 .0155 .0145 .0102 0 -.0003 0 |
|
O3 .3429 .1076 .2104 .0153 .0135 .0147 .0015 .0052 -.0002 |
|
OW1 .0961 .1135 .8126 .0155 .0196 .0153 -.0002 .0039 -.0007 |
|
OW2 .4001 .2253 .7183 .0245 .0180 .0173 .0018 .0048 .0024 |
|
H11 .118 .085 .674 .0229 |
|
H12 .164 .128 .924 .0414 |
|
H21 .372 .205 .545 .0466 |
|
H22 .446 .275 .711 .0457 |
|
|
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|
| |
|
Sailaufite |
| |
Wildner M, Tillmanns E, Andrut M, Lorenz J |
| |
European Journal of Mineralogy 15 (2003) 555-564 |
|
Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from |
|
Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship |
|
to mitridatite-group minerals and pararobertsite |
|
Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany |
|
_database_code_amcsd 0007000 |
|
11.253 19.628 8.932 90 100.05 90 Cm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaA1* .21795 .15628 .9255 .207 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
|
NaA1* .21795 .15628 .9255 .793 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
|
CaA2* .7553 0 .9254 .046 .0130 .0186 .0120 .0082 0 .0019 0 |
|
NaA2* .7553 0 .9254 .954 .0130 .0186 .0120 .0082 0 .0019 0 |
|
CaA3* .97944 .17535 .58638 .987 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
|
NaA3* .97944 .17535 .58638 .013 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
|
Ca4 .51193 0 .5864 .0112 .0109 .0128 .0102 0 .0029 0 |
|
Mn1 .62816 0 .25465 .0061 .0044 .0078 .0063 0 .0015 0 |
|
Mn2 .10012 .16687 .24963 .00534 .0028 .0066 .0066 .00013 .0006 .00016 |
|
Mn3 .34947 .24145 .25145 .00522 .0050 .0046 .0059 -.0018 .0006 -.0004 |
|
Mn4 .86236 .08735 .24994 .00550 .0061 .0036 .0067 -.0012 .0009 .0006 |
|
Mn5 .36306 .07965 1.25199 .00544 .0062 .0044 .0059 .0014 .0014 -.0004 |
|
As1 .83715 0 .53900 .00691 .0072 .0066 .0070 0 .0013 0 |
|
As2 .42147 0 .97103 .00821 .0085 .0087 .0077 0 .0023 0 |
|
As3 .30697 .15817 .53815 .00754 .0076 .0075 .0075 -.00030 .0014 .00011 |
|
As4 .89143 .17537 .96652 .00767 .0080 .0078 .0073 .00072 .0017 .00029 |
|
C1 .1038 0 .2328 .0115 .005 .002 .030 0 .007 0 |
|
C2 .1107 .3336 .2603 .0067 .0073 .0117 .001 -.0003 -.0005 -.0007 |
|
Ow1 .1924 0 .6078 .0174 .014 .020 .018 0 .004 0 |
|
Ow2 .5288 .16292 .9100 .0235 .021 .025 .025 -.0001 .007 .0004 |
|
O1 .8747 0 .7249 .0111 .012 .015 .006 0 .000 0 |
|
O2* .6877 0 .4770 .0100 .0015 .015 .015 0 .006 0 |
|
O3 .8939 .07107 .4685 .0090 .0101 .0101 .005 -.0045 -.0026 .0013 |
|
O4 .3573 .06936 1.0371 .0085 .0115 .0075 .0064 .0035 .0006 .0014 |
|
O5 .4058 0 .7847 .0129 .015 .018 .005 0 .000 0 |
|
O6 .5710 0 .0409 .0093 .008 .012 .009 0 .005 0 |
|
O7 .3253 .15729 .7234 .0145 .0114 .0232 .009 .0031 .0020 -.0003 |
|
O8 .1561 .15711 .4657 .0097 .0043 .0139 .011 -.0033 .0003 .0004 |
|
O9 .3694 .22778 .4728 .0080 .0095 .0078 .0072 -.0022 .0028 .0027 |
|
O10 .3730 .08885 .4715 .0098 .0118 .0090 .008 .0071 .0013 -.0012 |
|
O11 .8322 .10483 1.0369 .0104 .0147 .0086 .008 -.0055 .0019 .0012 |
|
O12 1.0419 .17590 1.0343 .0097 .0080 .0176 .002 -.0001 -.0024 -.0009 |
|
O13 .8302 .24504 1.0379 .0107 .0135 .0109 .009 .0032 .0045 -.0002 |
|
O14 .8575 .17604 .7796 .0124 .0155 .0158 .006 .0001 .0025 -.0004 |
|
O15 .2598 .15674 .2132 .0047 .0026 .0058 .005 .0001 -.0011 .0007 |
|
O16 .4378 .32466 .2933 .0069 .0068 .0041 .011 .0008 .0041 -.0007 |
|
O17 .7896 0 .2126 .0057 .0047 .0051 .006 0 -.0023 0 |
|
O18 .4666 0 1.2966 .0066 .005 .0050 .009 0 .0000 0 |
|
O19 .0491 .05692 .2336 .0103 .0056 .0071 .018 .0016 .0028 -.0001 |
|
O20 .1637 .27526 .2638 .0111 .0077 .0060 .019 -.0002 .0006 .0015 |
|
O21 .2220 0 .2507 .0101 .001 .008 .021 0 .003 0 |
|
O22 -.0047 .33592 .2489 .0120 .0042 .0075 .024 .0018 .0009 .0019 |
|
O23 .1723 .38808 .2653 .0128 .0094 .0063 .023 .0000 .0042 -.0023 |
|
O24 .0756 .0883 .7598 .0156 .016 .016 .013 .0003 -.0001 -.0012 |
|
O25 .6392 .08056 .7386 .0208 .0166 .0205 .025 -.0015 .0033 -.0080 |
|
O26 1.1209 .2469 .7418 .0207 .014 .0167 .031 -.0074 .0037 -.0112 |
|
H11 .159 .0377 .574 2/3 .057 |
|
H12 .265 0 .658 2/3 .057 |
|
H21 .474 .133 .852 .057 |
|
H22 .512 .170 .996 .057 |
|
H241 .096 .038 .727 .057 |
|
H242 -.007 .070 .755 .057 |
|
H251 .700 .107 .703 .057 |
|
H252 .607 .102 .806 .057 |
|
H261 1.104 .273 .817 .057 |
|
H262 1.175 .262 .696 .057 |
|
|
| Download AMC data (View Text File)
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|
| |
|
NaCo2S2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 293 K |
|
_database_code_amcsd 0007246 |
|
8.677 6.317 7.396 90 115.40 90 C2/m |
|
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 .5 .5 .0297 .0145 .0504 .0232 0 .0071 0 |
|
Co .25 .25 0 .0081 .0075 .0064 .0100 .0004 .0035 -.0003 |
|
S .09526 0 .29462 .0068 .0056 .0073 .0066 0 .0019 0 |
|
O1 .19383 0 .16814 .0109 .0131 .0098 .0140 0 .0098 0 |
|
O2 .21857 0 .50265 .0142 .0115 .0180 .0078 0 -.0009 0 |
|
O3 -.01275 .19296 .24614 .0108 .0084 .0088 .0131 .0020 .0028 -.0003 |
|
Oh .15474 .5 .08685 .0086 .0074 .0085 .0103 0 .0042 0 |
|
H1 .057 .5 .034 .5 .019 |
|
H2 .183 .5 .193 .040 |
|
|
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|
| |
|
NaCo2S2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 105 K |
|
_database_code_amcsd 0007247 |
|
8.659 6.281 7.368 90 115.41 90 C2/m |
|
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 .5 .5 .0122 .0068 .0189 .0105 0 .0033 0 |
|
Co .25 .25 0 .0037 .0035 .0030 .0044 .0002 .0016 -.0001 |
|
S .09484 0 .29532 .0033 .0029 .0034 .0033 0 .0010 0 |
|
O1 .19166 0 .16573 .0056 .0069 .0052 .0069 0 .0052 0 |
|
O2 .22052 0 .50346 .0065 .0054 .0081 .0038 0 -.0003 0 |
|
O3 -.01342 .19401 .24832 .0054 .0044 .0042 .0065 .0013 .0014 .0002 |
|
Oh .15438 .5 .08750 .0047 .0043 .0049 .0050 0 .0020 0 |
|
H1 .054 .5 .030 .5 .020 |
|
H2 .182 .5 .197 .042 |
|
|
| Download AMC data (View Text File)
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|
| |
|
NaNi2S2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 293 K |
|
_database_code_amcsd 0007248 |
|
8.605 6.185 7.336 90 114.78 90 C2/m |
|
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 .5 .5 .0247 .0149 .0372 .0224 0 .0081 0 |
|
Ni .25 .25 0 .0079 .0072 .0067 .0099 .0002 .0037 -.0002 |
|
S .09180 0 .29111 .0070 .0059 .0077 .0071 0 .0025 0 |
|
O1 .18889 0 .15953 .0107 .0126 .0096 .0143 0 .0099 0 |
|
O2 .21735 0 .49802 .0138 .0115 .0177 .0078 0 -.0001 0 |
|
O3 -.01593 .19671 .24532 .0103 .0083 .0087 .0127 .0019 .0032 -.0001 |
|
Oh .15451 .5 .08712 .0087 .0076 .0082 .0110 0 .0046 0 |
|
H1 .060 .5 .034 .5 .017 |
|
H2 .188 .5 .195 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaNi2S2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 105 K |
|
_database_code_amcsd 0007249 |
|
8.595 6.172 7.319 90 114.81 90 C2/m |
|
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 .5 .5 .0112 .0072 .0156 .0109 0 .0039 0 |
|
Ni .25 .25 0 .0042 .0038 .0037 .0052 .0000 .0018 -.0000 |
|
S .09153 0 .29159 .0040 .0034 .0043 .0042 0 .0014 0 |
|
O1 .18741 0 .15756 .0059 .0066 .0058 .0076 0 .0052 0 |
|
O2 .21880 0 .49844 .0072 .0056 .0089 .0050 0 .0001 0 |
|
O3 -.01640 .19743 .24678 .0057 .0047 .0047 .0069 .0013 .0012 .0004 |
|
Oh .15434 .5 .08772 .0056 .0053 .0055 .0064 0 .0029 0 |
|
H1 .049 .5 .028 .5 .014 |
|
H2 .183 .5 .196 .032 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaCo2Se2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 293 K |
|
_database_code_amcsd 0007250 |
|
8.939 6.382 7.554 90 115.09 90 C2/m |
|
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 .5 .5 .0242 .0201 .0300 .0242 0 .0109 0 |
|
Co .25 .25 0 .0111 .0105 .0107 .0119 .0001 .0046 -.0001 |
|
Se .08896 0 .29501 .0098 .0087 .0112 .0090 0 .0033 0 |
|
O1 .18607 0 .14883 .0143 .0175 .0136 .0176 0 .0130 0 |
|
O2 .23093 0 .51570 .0191 .0177 .0241 .0103 0 .0008 0 |
|
O3 -.02689 .21186 .24960 .0141 .0119 .0123 .0162 .0029 .0040 -.0004 |
|
Oh .15206 .5 .08207 .0119 .0104 .0133 .0126 0 .0054 0 |
|
H1 .059 .5 .039 .5 .006 |
|
H2 .189 .5 .200 .036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KCo2Se2O10H3 |
| |
Krickl R, Wildner M |
| |
European Journal of Mineralogy 19 (2007) 805-816 |
|
Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the |
|
shortest known hydrogen bonds among mineral-type compounds |
|
Part I: single-crystal X-ray structures |
|
Sample: T = 293 K |
|
_database_code_amcsd 0007251 |
|
9.078 6.471 7.687 90 113.99 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 .5 .5 .0160 .0139 .0193 .0142 0 .0050 0 |
|
Co .25 .25 0 .0098 .0089 .0078 .0122 .0001 .0038 -.0002 |
|
Se .08213 0 .28441 .96 .0083 .0072 .0089 .0087 0 .0031 0 |
|
Cr .08213 0 .28441 .04 .0083 .0072 .0089 .0087 0 .0031 0 |
|
O1 .19589 0 .15910 .0121 .0136 .0111 .0158 0 .0102 0 |
|
O2 .19819 0 .50743 .0222 .0178 .0342 .0099 0 .0008 0 |
|
O3 -.03048 .20959 .22700 .0134 .0110 .0103 .0168 .0026 .0036 -.0012 |
|
Oh .15216 .5 .08125 .0115 .0102 .0097 .0158 0 .0066 0 |
|
H1 .056 .5 .052 .5 .06 |
|
H2 .181 .5 .187 .035 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Uvarovite |
|
Andrut M, Wildner M |
| |
Physics and Chemistry of Minerals 29 (2002) 595-608 |
|
The crystal chemistry of birefringent natural uvarovites. Part III. Application of the |
|
superposition model of crystal fields with a characterization of synthetic cubic uvarovite |
|
Sample: Uvasyn-22 |
|
_database_code_amcsd 0008734 |
|
11.9973 11.9973 11.9973 90 90 90 Ia-3d |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .125 0 .25 .0056 .0040 .0063 .0063 0 0 .0009 |
|
Cr 0 0 0 .0034 .0034 .0034 .0034 .0000 .0000 .0000 |
|
Si .375 0 .25 .0032 .0030 .0033 .0033 0 0 0 |
|
O .03917 .04770 .65433 .0052 .0051 .0059 .0045 .0005 -.0007 .0002 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cerussite |
|
Chevrier G, Giester G, Heger G, Jarosch D, Wildner M, Zemann J |
|
Zeitschrift fur Kristallographie 199 (1992) 67-74 |
|
Neutron single-crystal refinement of cerussite, PbCO3, and comparison with other |
|
aragonite-type carbonates |
|
Locality: Pribram, Czech Republic |
|
_database_code_amcsd 0011016 |
|
5.179 8.492 6.141 90 90 90 Pmcn |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .25 .41702 .24560 .0115 .0101 .0110 0 0 .0001 |
|
C .25 .76221 .08718 .0098 .0107 .0087 0 0 .0000 |
|
O1 .25 .91299 .09649 .0206 .0116 .0183 0 0 .0028 |
|
O2 .46445 .68597 .08893 .0110 .0181 .0216 .0032 .0011 -.0033 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Chalcocyanite |
|
Wildner M, Giester G |
| |
Mineralogy and Petrology 39 (1988) 201-209 |
|
Crystal structure refinements of synthetic |
|
chalcocyanite (CuSO4) and zincosite (ZnSO4) |
|
Locality: synthetic |
|
_database_code_amcsd 0014619 |
|
8.409 6.709 4.833 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cu 0 0 0 .0097 .0092 .0089 .0108 .0016 -.0036 -.0027 |
|
S .18363 .25 .44979 .0071 .0062 .0082 .0070 0 -.0003 0 |
|
O1 .1293 .25 .7353 .0117 .0112 .0152 .0089 0 .0037 0 |
|
O2 .3646 .25 .4385 .0092 .0037 .0096 .0143 0 .0000 0 |
|
O3 .1328 .0674 .3083 .0111 .0103 .0098 .0131 -.0006 -.0041 -.0022 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Zinkosite |
| |
Wildner M, Giester G |
| |
Mineralogy and Petrology 39 (1988) 201-209 |
|
Crystal structure refinements of synthetic |
|
chalcocyanite (CuSO4) and zincosite (ZnSO4) |
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Locality: synthetic |
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_database_code_amcsd 0014620 |
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8.604 6.746 4.774 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn 0 0 0 .0245 .0247 .0218 .0271 .0110 -.0164 -.0132 |
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S .18029 .25 .46659 .0092 .0082 .0114 .0080 0 -.0007 0 |
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O1 .1279 .25 .7622 .0147 .0165 .0187 .0090 0 .0023 0 |
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O2 .3545 .25 .4522 .0126 .0085 .0140 .0155 0 .0008 0 |
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O3 .1267 .0689 .3295 .0144 .0158 .0141 .0132 -.0020 -.0030 -.0023 |
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Cobaltomenite |
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Wildner M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 353-362 |
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Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O) |
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and ahlfeldite (NiSeO3*2H2O) |
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Locality: synthetic |
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_database_code_amcsd 0014845 |
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6.496 8.809 7.619 90 98.87 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co .34882 .63789 .51736 .0157 .0149 .0137 .0186 -.0001 .0026 -.0008 |
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Se .60353 .15328 .83756 .0147 .0140 .0142 .0158 .0000 .0020 -.0005 |
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O1 .6752 .3258 .7657 .0194 .0209 .0172 .0200 -.0013 .0030 .0050 |
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O2 .6729 .5931 .5327 .0189 .0117 .0180 .0262 -.0015 .0004 -.0052 |
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O3 .4607 .2008 .9970 .0204 .0155 .0251 .0217 -.0019 .0061 -.0040 |
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Ow1 .3839 .5637 .7951 .0225 .0226 .0238 .0205 .0015 .0010 -.0003 |
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Ow2 .4185 .8597 .5784 .0247 .0238 .0186 .0310 -.0002 .0016 -.0002 |
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H11 .486 .497 .812 .0378 |
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H12 .443 .640 .877 .0348 |
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H21 .348 .910 .601 .0272 |
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H22 .551 .871 .632 .0583 |
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Ahlfeldite |
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Wildner M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 353-362 |
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Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O) |
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and ahlfeldite (NiSeO3*2H2O) |
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Locality: synthetic |
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_database_code_amcsd 0014846 |
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6.441 8.746 7.522 90 99.00 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .35246 .63816 .51806 .0192 .0144 .0270 .0164 .0008 .0029 .0000 |
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Se .60100 .15084 .83718 .0179 .0133 .0260 .0144 .0000 .0021 -.0004 |
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O1 .6704 .3257 .7650 .0223 .0242 .0243 .0171 .0005 -.0011 .0053 |
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O2 .6718 .5917 .5328 .0194 .0133 .0215 .0236 .0018 .0036 -.0007 |
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O3 .4584 .1974 .9992 .0239 .0152 .0353 .0227 -.0034 .0072 -.0048 |
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Ow1 .3831 .5666 .7911 .0256 .0233 .0394 .0151 .0085 .0062 -.0018 |
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Ow2 .4210 .8592 .5775 .0269 .0257 .0309 .0229 .0023 .0004 -.0056 |
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H11 .481 .502 .789 .0235 |
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H12 .400 .648 .897 .0235 |
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H21 .349 .898 .652 .0235 |
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H22 .568 .877 .620 .0235 |
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Szmikite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014851 |
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7.116 7.667 7.920 90 118.11 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn 0 .5 0 .0143 .0170 .0166 .0001 .0064 .0015 |
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S 0 .14983 .25 .0114 .0137 .0162 0 .0055 0 |
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O1 .1679 .0398 .3926 .0157 .0282 .0276 .0062 .0084 .0117 |
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O2 .0944 .2615 .1574 .0205 .0196 .0282 .0021 .0141 .0070 |
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O3 0 .6485 .25 .0215 .0209 .0193 0 .0098 0 |
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H .097 .733 .279 .0558 |
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Szomolnokite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014852 |
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7.078 7.549 7.773 90 118.65 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe 0 .5 0 .0121 .0164 .0205 .0001 .0073 .0011 |
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S 0 .15307 .25 .0101 .0145 .0205 0 .0067 0 |
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O1 .1697 .0429 .3985 .0137 .0232 .0283 .0042 .0082 .0079 |
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O2 .0956 .2683 .1560 .0180 .0200 .0278 .0029 .0133 .0063 |
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O3 0 .6444 .25 .0160 .0206 .0254 0 .0097 0 |
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H .108 .709 .315 .088 |
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Cobaltkieserite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014853 |
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6.960 7.586 7.621 90 118.56 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co 0 .5 0 .0130 .0148 .0146 .0001 .0062 .0005 |
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S 0 .15371 .25 .0116 .0134 .0148 0 .0057 0 |
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O1 .1725 .0429 .4004 .0149 .0216 .0223 .0036 .0072 .0074 |
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O2 .0969 .2667 .1540 .0182 .0172 .0235 .0020 .0123 .0055 |
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O3 0 .6383 .25 .0170 .0177 .0173 0 .0085 0 |
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H .110 .714 .284 .042 |
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| |
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Dwornikite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014854 |
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6.824 7.594 7.457 90 117.79 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni 0 .5 0 .0119 .0108 .0109 -.0001 .0053 .0004 |
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S 0 .15667 .25 .0107 .0099 .0112 0 .0051 0 |
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O1 .1724 .0469 .4031 .0125 .0185 .0174 .0039 .0060 .0066 |
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O2 .1032 .2697 .1548 .0156 .0132 .0177 .0012 .0097 .0037 |
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O3 0 .6316 .25 .0135 .0129 .0128 0 .0058 0 |
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H .094 .706 .283 .0376 |
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|
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Gunningite |
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Wildner M, Giester G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 |
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The crystal structures of kieserite-type compounds. |
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I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) |
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Locality: synthetic |
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_database_code_amcsd 0014855 |
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6.925 7.591 7.635 90 118.19 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Zn 0 .5 0 .0171 .0177 .0209 .0002 .0094 .0010 |
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S 0 .15510 .25 .0146 .0150 .0196 0 .0088 0 |
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O1 .1714 .0440 .3997 .0177 .0237 .0268 .0041 .0096 .0068 |
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O2 .0993 .2687 .1556 .0207 .0194 .0274 .0020 .0153 .0054 |
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O3 0 .6380 .25 .0176 .0206 .0216 0 .0099 0 |
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H .101 .701 .287 .043 |
|
|
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| |
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