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Iowaite |
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Allmann R, Donnay J D H |
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American Mineralogist 54 (1969) 296-299 |
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About the structure of iowaite |
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3.119 3.119 24.52 90 90 120 R-3m |
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atom x y z occ |
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Mg 0 0 0 .8 |
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Fe 0 0 0 .2 |
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OH1 0 0 .376 |
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OH2 0 0 .5 .6 |
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Cl 0 0 .5 .2 |
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Ardennite |
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Donnay G, Allmann R |
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Acta Crystallographica B24 (1968) 845-855 |
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Si3O10 groups in the crystal structure of ardennite |
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8.7126 5.8108 18.5214 90 90 90 *Pnmm |
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0 .25 .25 |
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atom x y z occ Biso |
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Mn1 .9441 .25 .1554 .765 .95 |
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Ca1 .9441 .25 .1554 .235 .95 |
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Mn2 .3956 .75 .1600 .95 |
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Al1 0 0 0 .62 |
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Al2 .5 0 0 .76 |
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Mg .6787 -.0016 .25 .50 .96 |
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Al .6787 -.0016 .25 .15 .96 |
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Fe .6787 -.0016 .25 .10 .96 |
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Cu .6787 -.0016 .25 .03 .96 |
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Si1 .7641 .75 .0970 .37 |
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Si2 .2766 .25 .0951 .59 |
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Si3 .3412 .25 .25 .66 |
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As .0426 .75 .25 .905 .45 |
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V .0426 .75 .25 .095 .45 |
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O1 .1284 .0265 -.0828 .82 |
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O2 .6241 -.0207 -.0833 .81 |
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O3 .1127 .25 .0526 .86 |
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O4 .6169 .75 .0415 1.91 |
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O5 .9299 -.0068 .25 1.02 |
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O6 .4431 .0146 .25 1.06 |
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O7 .6817 .75 .1776 0.19 |
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O8 .2232 .25 .1805 1.78 |
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O9 .1540 .75 .1763 .36 |
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OH1 .1128 .75 .0323 .95 |
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OH2 .6149 .25 .0356 .35 |
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OH3 .6973 .25 .1817 .91 |
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Koenenite |
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Allmann R, Lohse H N, Hellner E |
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Zeitschrift fur Kristallographie 126 (1968) 7-22 |
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Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei |
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inkommensurablen teilgittern |
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Note: one of two substructures in koenenite |
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4.072 4.072 32.64 90 90 120 R-3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na 0 0 0 .667 2.3 .042217 .042217 .000774 .021108 0 0 |
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Ca 0 0 0 .222 2.3 .042217 .042217 .000774 .021108 0 0 |
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Mg 0 0 0 .111 2.3 .042217 .042217 .000774 .021108 0 0 |
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Cl 2/3 1/3 .04636 3.6 .076392 .076392 .000751 .038196 0 0 |
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Koenenite |
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Allmann R, Lohse H N, Hellner E |
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Zeitschrift fur Kristallographie 126 (1968) 7-22 |
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Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei |
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inkommensurablen teilgittern |
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Note: one of two substructures in koenenite |
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3.052 3.052 10.880 90 90 120 P-3m1 |
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atom x y z occ Biso |
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Mg 0 0 .5 .6364 1.0 |
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Al 0 0 .5 .3636 1.0 |
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OH 2/3 1/3 .4086 1.8 |
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Wermlandite |
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Rius J, Allmann R |
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Zeitschrift fur Kristallographie 168 (1984) 133-144 |
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The superstructure of the double layer mineral wermlandite |
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[Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2- |
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Locality: Langban, Warmland, Sweden |
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9.303 9.303 22.570 90 90 120 P-3c1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 .25 .002581 .002581 .000388 .001290 .000000 .000000 |
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Mg2 .3319 0 .25 .002619 .003158 .000491 .001579 .000069 .000137 |
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Mg3 .6672 0 .25 .003351 .002503 .000422 .001252 -.000062 -.000124 |
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Al 2/3 1/3 .2479 .57 .004545 .004545 .000888 .002272 .000000 .000000 |
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Fe 2/3 1/3 .2479 .43 .004545 .004545 .000888 .002272 .000000 .000000 |
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Ca 0 0 0 .6 .014597 .014597 .002508 .007299 .000000 .000000 |
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Mg 0 0 0 .4 .014597 .014597 .002508 .007299 .000000 .000000 |
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S 1/3 2/3 .0571 .010014 .010014 .001271 .005007 .000000 .000000 |
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Oh1 .1138 .2227 .2046 .008627 .006432 .000520 .005739 .000234 .000027 |
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Oh2 .1182 .5597 .2062 .005893 .006085 .000648 .003158 .000275 -.000014 |
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Oh3 .4504 .2272 .2041 .006432 .006047 .000309 .002465 -.000179 -.000729 |
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Ow4 .4262 .3101 .0815 .019527 .014289 .002189 .006933 .000179 -.000866 |
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Ow51 .184 -.013 .050 .4 .011092 .005045 .004810 .000424 -.002049 -.002090 |
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Ow52 .183 -.008 .066 .6 .015945 .012209 .003391 .008589 .000729 -.001815 |
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O6 .4632 .6373 .0800 .023571 .034394 .002640 .017178 -.000206 .001086 |
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O7 2/3 1/3 .0049 .010245 .010245 .001389 .005123 .000000 .000000 |
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H1 .119 .209 .163 2.0 |
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H2 .144 .564 .165 1.1 |
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H3 .452 .234 .166 1.1 |
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H41 .442 .405 .090 10 |
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H42 .507 .318 .055 10 |
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H51 .251 -.087 .061 8.0 |
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H52 .265 .092 .066 10 |
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Hydrotalcite |
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Allmann R, Jepsen H P |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1969 (1969) 544-551 |
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Die struktur des hydrotalkits |
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Locality: Vezna, Western Moravia |
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3.054 3.054 22.81 90 90 120 R-3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 0 0 2/3 .05253 .05253 .00084 .026265 0 0 |
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Al 0 0 0 1/3 .05253 .05253 .00084 .026265 0 0 |
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O1 0 0 .3771 .08577 .08577 .00090 .042885 0 0 |
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H1 0 0 .4144 .10793 .10793 .00099 .053965 0 0 |
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C 0 0 .167 1/12 .21586 .21586 .00099 .107930 0 0 |
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O2 .092 -.092 .5 1/12 .39312 .39312 .00097 .243020 0 0 |
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Wat .092 -.092 .5 1/12 .39312 .39312 .00097 .243020 0 0 |
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Kuzelite |
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Allmann R |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 136-144 |
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Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- |
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Note: z(Wat1) adjusted to match reported bond lengths |
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5.7586 5.7586 26.7946 90 90 120 R-3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(12) B(1,3) B(2,3) |
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Ca 2/3 1/3 .02134 .006433 .006433 .000783 .003217 0 0 |
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Al 0 0 0 .005730 .005730 .000662 .002865 0 0 |
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Oh .2511 -.0547 .03731 .009147 .010755 .000742 .005428 -.000056 .000318 |
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H .211 -.115 .0667 3.2 |
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S 0 0 .4955 .25 .019702 .019702 .000961 .000985 0 0 |
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O1 0 0 .5486 .25 .061316 .061316 .000592 .030658 0 0 |
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O2 .2688 .1821 .4771 .25 .035986 .046640 .001765 .015982 .000430 -.000075 |
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Wat2 .2688 .1821 .4771 1/6 .035986 .046640 .001765 .015982 .000430 -.000075 |
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Wat1 2/3 1/3 .11452 .038498 .038498 .000992 .019249 0 0 |
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Julgoldite-(Fe3+) |
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Allmann R, Donnay G |
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Mineralogical Magazine 39 (1973) 271-281 |
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The crystal structure of julgoldite |
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Locality: Langban, Sweden |
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8.922 6.081 19.432 90 97.60 90 A2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .2554 .5 .3397 .00204 .00432 .00020 0 .00011 0 |
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Ca2 .1963 .5 .1563 .00418 .00446 .00029 0 .00000 0 |
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Fe1 .5 .25 .25 .00342 .00500 .00035 .00013 .00017 .00010 |
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Fe2 .2543 .2465 .49550 .00255 .00425 .00023 .00018 .00014 .00008 |
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Si1 .0506 0 .0936 .00147 .00331 .00010 0 -.00008 0 |
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Si2 .1623 0 .2478 .00211 .00263 .00012 0 -.00008 0 |
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Si3 .4650 0 .4013 .00156 .00331 .00009 0 .00010 0 |
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O1 .1353 .2214 .0755 .00364 .00446 .00031 -.00088 .00011 -.00034 |
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O2 .2582 .2292 .2473 .00316 .00392 .00027 .00027 -.00007 -.00023 |
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O3 .3674 .2192 .4135 .00377 .00567 .00034 .00074 .00036 .00029 |
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O4 .1283 .5 .4428 .00204 .00358 .00020 0 .00011 0 |
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O5 .1234 0 .4556 .5 .00396 .00703 .00043 0 .00004 0 |
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OH5 .1234 0 .4556 .5 .00396 .00703 .00043 0 .00004 0 |
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O6 .3717 .5 .0453 .00300 .00256 .00018 0 .00007 0 |
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O 7 .3757 0 .0322 .5 .00402 .00547 .00070 0 .00035 0 |
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OH7 .3757 0 .0322 .5 .00402 .00547 .00070 0 .00035 0 |
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O8 .0315 0 .1780 .00306 .00723 .00019 0 -.00008 0 |
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O9 .4728 .5 .1746 .00255 .00493 .00019 0 .00020 0 |
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O10 .0615 0 .3128 .5 .00421 .00811 .00047 0 .00029 0 |
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OH10 .0615 0 .3128 .5 .00421 .00811 .00047 0 .00029 0 |
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O11 .4974 0 .1835 .5 .00396 .00588 .00037 0 .00033 0 |
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OH11 .4974 0 .1835 .5 .00396 .00588 .00037 0 .00033 0 |
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Patronite |
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Allmann R, Baumann I, Kutoglu A, Rosch H, Hellner E |
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Naturwissenschaften 51 (1964) 263-264 |
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Die kristallstruktur des patronits V(S2)2 |
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Locality: Minasraga, Peru |
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6.78 10.42 12.11 90 100.8 90 I2/c |
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atom x y z Biso |
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V .000 .001 .117 .7 |
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S1 .763 .098 .218 1.0 |
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S2 .763 .096 .234 1.1 |
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S3 .278 .050 .028 1.0 |
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S4 .053 .183 .004 1.0 |
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Ardennite-(As) |
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Donnay G, Allmann R |
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Acta Crystallographica B24 (1968) 845-855 |
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Si3O10 groups in the crystal structure of ardennite |
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8.7126 5.8108 18.5214 90 90 90 *Pnmm |
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0 .25 .25 |
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atom x y z occ Biso |
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Mn1 .9441 .25 .1554 .765 .95 |
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Ca1 .9441 .25 .1554 .235 .95 |
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Mn2 .3956 .75 .1600 .95 |
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Al1 0 0 0 .62 |
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Al2 .5 0 0 .76 |
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Mg .6787 -.0016 .25 .50 .96 |
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Al .6787 -.0016 .25 .15 .96 |
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Fe .6787 -.0016 .25 .10 .96 |
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Cu .6787 -.0016 .25 .03 .96 |
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Si1 .7641 .75 .0970 .37 |
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Si2 .2766 .25 .0951 .59 |
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Si3 .3412 .25 .25 .66 |
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As .0426 .75 .25 .905 .45 |
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V .0426 .75 .25 .095 .45 |
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O1 .1284 .0265 -.0828 .82 |
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O2 .6241 -.0207 -.0833 .81 |
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O3 .1127 .25 .0526 .86 |
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O4 .6169 .75 .0415 1.91 |
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O5 .9299 -.0068 .25 1.02 |
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O6 .4431 .0146 .25 1.06 |
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O7 .6817 .75 .1776 0.19 |
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O8 .2232 .25 .1805 1.78 |
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O9 .1540 .75 .1763 .36 |
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OH1 .1128 .75 .0323 .95 |
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OH2 .6149 .25 .0356 .35 |
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OH3 .6973 .25 .1817 .91 |
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|
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