American Mineralogist Crystal Structure Database

10 matching records for this search.

Iowaite
Download hom/iowaite.pdf
Allmann R, Donnay J D H
Download am/vol54/AM54_296.pdf
American Mineralogist 54 (1969) 296-299
About the structure of iowaite
_database_code_amcsd 0000189
3.119 3.119 24.52 90 90 120 R-3m
atom x y    z occ
Mg   0 0    0 .8
Fe   0 0    0 .2
OH1  0 0 .376
OH2  0 0   .5 .6
Cl   0 0   .5 .2
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Ardennite-(As)
 
Donnay G, Allmann R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=24&spage=845
Acta Crystallographica B24 (1968) 845-855
Si3O10 groups in the crystal structure of ardennite
_database_code_amcsd 0009340
8.7126 5.8108 18.5214 90 90 90 *Pnmm
0 .25 .25
atom     x      y      z  occ Biso
Mn1  .9441    .25  .1554 .765  .95
Ca1  .9441    .25  .1554 .235  .95
Mn2  .3956    .75  .1600       .95
Al1      0      0      0       .62
Al2     .5      0      0       .76
Mg   .6787 -.0016    .25  .50  .96
Al   .6787 -.0016    .25  .15  .96
Fe   .6787 -.0016    .25  .10  .96
Cu   .6787 -.0016    .25  .03  .96
Si1  .7641    .75  .0970       .37
Si2  .2766    .25  .0951       .59
Si3  .3412    .25    .25       .66
As   .0426    .75    .25 .905  .45
V    .0426    .75    .25 .095  .45
O1   .1284  .0265 -.0828       .82
O2   .6241 -.0207 -.0833       .81
O3   .1127    .25  .0526       .86
O4   .6169    .75  .0415      1.91
O5   .9299 -.0068    .25      1.02
O6   .4431  .0146    .25      1.06
O7   .6817    .75  .1776      0.19
O8   .2232    .25  .1805      1.78
O9   .1540    .75  .1763       .36
OH1  .1128    .75  .0323       .95
OH2  .6149    .25  .0356       .35
OH3  .6973    .25  .1817       .91
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Koenenite
Download hom/koenenite.pdf
Allmann R, Lohse H N, Hellner E
Download zk/vol126/ZK126_7.pdf
Zeitschrift fur Kristallographie 126 (1968) 7-22
Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
inkommensurablen teilgittern
Note: one of two substructures in koenenite
_database_code_amcsd 0010653
4.072 4.072 32.64 90 90 120 R-3m
atom   x   y      z  occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3) B(2,3)
Na     0   0      0 .667  2.3 .042217 .042217 .000774 .021108      0      0
Ca     0   0      0 .222  2.3 .042217 .042217 .000774 .021108      0      0
Mg     0   0      0 .111  2.3 .042217 .042217 .000774 .021108      0      0
Cl   2/3 1/3 .04636       3.6 .076392 .076392 .000751 .038196      0      0
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Koenenite
Download hom/koenenite.pdf
Allmann R, Lohse H N, Hellner E
Download zk/vol126/ZK126_7.pdf
Zeitschrift fur Kristallographie 126 (1968) 7-22
Die kristallstruktur des koenenits, eine doppelschichtstruktur mit zwei
inkommensurablen teilgittern
Note: one of two substructures in koenenite
_database_code_amcsd 0010654
3.052 3.052 10.880 90 90 120 P-3m1
atom   x   y     z   occ Biso
Mg     0   0    .5 .6364  1.0
Al     0   0    .5 .3636  1.0
OH   2/3 1/3 .4086        1.8
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Wermlandite
Download hom/wermlandite.pdf
Rius J, Allmann R
Download zk/vol168/ZK168_133.pdf
Zeitschrift fur Kristallographie 168 (1984) 133-144
The superstructure of the double layer mineral wermlandite
[Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-
Locality: Langban, Warmland, Sweden
_database_code_amcsd 0010871
9.303 9.303 22.570 90 90 120 P-3c1
atom      x     y     z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Mg1       0     0   .25          .002581 .002581 .000388 .001290  .000000  .000000
Mg2   .3319     0   .25          .002619 .003158 .000491 .001579  .000069  .000137
Mg3   .6672     0   .25          .003351 .002503 .000422 .001252 -.000062 -.000124
Al      2/3   1/3 .2479 .57      .004545 .004545 .000888 .002272  .000000  .000000
Fe      2/3   1/3 .2479 .43      .004545 .004545 .000888 .002272  .000000  .000000
Ca        0     0     0  .6      .014597 .014597 .002508 .007299  .000000  .000000
Mg        0     0     0  .4      .014597 .014597 .002508 .007299  .000000  .000000
S       1/3   2/3 .0571          .010014 .010014 .001271 .005007  .000000  .000000
Oh1   .1138 .2227 .2046          .008627 .006432 .000520 .005739  .000234  .000027
Oh2   .1182 .5597 .2062          .005893 .006085 .000648 .003158  .000275 -.000014
Oh3   .4504 .2272 .2041          .006432 .006047 .000309 .002465 -.000179 -.000729
Ow4   .4262 .3101 .0815          .019527 .014289 .002189 .006933  .000179 -.000866
Ow51   .184 -.013  .050  .4      .011092 .005045 .004810 .000424 -.002049 -.002090
Ow52   .183 -.008  .066  .6      .015945 .012209 .003391 .008589  .000729 -.001815
O6    .4632 .6373 .0800          .023571 .034394 .002640 .017178 -.000206  .001086
O7      2/3   1/3 .0049          .010245 .010245 .001389 .005123  .000000  .000000
H1     .119  .209  .163      2.0
H2     .144  .564  .165      1.1
H3     .452  .234  .166      1.1
H41    .442  .405  .090       10
H42    .507  .318  .055       10
H51    .251 -.087  .061      8.0
H52    .265  .092  .066       10
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Julgoldite-(Fe3+)
 
Allmann R, Donnay G
Download mm/vol39/MM39_271.pdf
Mineralogical Magazine 39 (1973) 271-281
The crystal structure of julgoldite
Locality: Langban, Sweden
_database_code_amcsd 0014461
8.922 6.081 19.432 90 97.60 90 A2/m
atom     x     y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1  .2554    .5  .3397     .00204 .00432 .00020       0  .00011       0
Ca2  .1963    .5  .1563     .00418 .00446 .00029       0  .00000       0
Fe1     .5   .25    .25     .00342 .00500 .00035  .00013  .00017  .00010
Fe2  .2543 .2465 .49550     .00255 .00425 .00023  .00018  .00014  .00008
Si1  .0506     0  .0936     .00147 .00331 .00010       0 -.00008       0
Si2  .1623     0  .2478     .00211 .00263 .00012       0 -.00008       0
Si3  .4650     0  .4013     .00156 .00331 .00009       0  .00010       0
O1   .1353 .2214  .0755     .00364 .00446 .00031 -.00088  .00011 -.00034
O2   .2582 .2292  .2473     .00316 .00392 .00027  .00027 -.00007 -.00023
O3   .3674 .2192  .4135     .00377 .00567 .00034  .00074  .00036  .00029
O4   .1283    .5  .4428     .00204 .00358 .00020       0  .00011       0
O5   .1234     0  .4556  .5 .00396 .00703 .00043       0  .00004       0
OH5  .1234     0  .4556  .5 .00396 .00703 .00043       0  .00004       0
O6   .3717    .5  .0453     .00300 .00256 .00018       0  .00007       0
O7   .3757     0  .0322  .5 .00402 .00547 .00070       0  .00035       0
OH7  .3757     0  .0322  .5 .00402 .00547 .00070       0  .00035       0
O8   .0315     0  .1780     .00306 .00723 .00019       0 -.00008       0
O9   .4728    .5  .1746     .00255 .00493 .00019       0  .00020       0
O10  .0615     0  .3128  .5 .00421 .00811 .00047       0  .00029       0
OH10 .0615     0  .3128  .5 .00421 .00811 .00047       0  .00029       0
O11  .4974     0  .1835  .5 .00396 .00588 .00037       0  .00033       0
OH11 .4974     0  .1835  .5 .00396 .00588 .00037       0  .00033       0
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Patronite
Download hom/patronite.pdf
Allmann R, Baumann I, Kutoglu A, Rosch H, Hellner E
 
Naturwissenschaften 51 (1964) 263-264
Die kristallstruktur des patronits V(S2)2
Note: typo fixed S2(y)
Locality: Minasraga, Peru
_database_code_amcsd 0014691
6.78 10.42 12.11 90 100.8 90 I2/c
atom    x     y    z Biso
V    .000  .001 .117   .7
S1   .763  .098 .218  1.0
S2   .763 -.096 .234  1.1
S3   .278  .050 .028  1.0
S4   .053  .183 .004  1.0
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Hydrotalcite
Download hom/hydrotalcite.pdf
Allmann R, Jepsen H P
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1969 (1969) 544-551
Die struktur des hydrotalkits
Locality: Vezna, Western Moravia
_database_code_amcsd 0014738
3.054 3.054 22.81 90 90 120 R-3m
atom    x     y     z   occ B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Mg      0     0     0   2/3 .05253 .05253 .00084 .026265      0      0
Al      0     0     0   1/3 .05253 .05253 .00084 .026265      0      0
O1      0     0 .3771       .08577 .08577 .00090 .042885      0      0
H1      0     0 .4144       .10793 .10793 .00099 .053965      0      0
C       0     0  .167  1/12 .21586 .21586 .00099 .107930      0      0
O2   .092 -.092    .5  1/12 .39312 .39312 .00097 .243020      0      0
Wat  .092 -.092    .5  1/12 .39312 .39312 .00097 .243020      0      0
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Patronite
Download hom/patronite.pdf
Kutoglu A, Allmann R
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1972 (1972) 339-345
Strukturverfeinerung des Patronits, V(S2)2
Locality: Minasraga, Peru
_database_code_amcsd 0020620
6.775 10.42 12.11 90 100.8 90 I2/c
atom      x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
V1   -.0002  .0013 .1173  .0038  .0013  .0011 -.0002  .0007 -.0002
S1   -.2369  .0980 .2180  .0056  .0019  .0012  .0001  .0010  .0001
S2   -.2365 -.0961 .2342  .0052  .0021  .0017 -.0003  .0011  .0001
S3    .2778  .0498 .0286  .0043  .0022  .0012 -.0000  .0008  .0000
S4    .0531  .1832 .0039  .0063  .0016  .0014 -.0004  .0011 -.0001
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Kuzelite
Download hom/kuzelite.pdf
Allmann R
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 136-144
Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]-
Note: z(Wat1) adjusted to match reported bond lengths
_database_code_amcsd 0014757
5.7586 5.7586 26.7946 90 90 120 R-3
atom     x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Ca     2/3    1/3 .02134          .006433 .006433 .000783 .003217        0        0
Al       0      0      0          .005730 .005730 .000662 .002865        0        0
Oh   .2511 -.0547 .03731          .009147 .010755 .000742 .005428 -.000056  .000318
H     .211  -.115  .0667      3.2
S        0      0  .4955 .25      .019702 .019702 .000961 .000985        0        0
O1       0      0  .5486 .25      .061316 .061316 .000592 .030658        0        0
O2   .2688  .1821  .4771 .25      .035986 .046640 .001765 .015982  .000430 -.000075
Wat2 .2688  .1821  .4771 1/6      .035986 .046640 .001765 .015982  .000430 -.000075
Wat1   2/3    1/3 .11452          .038498 .038498 .000992 .019249        0        0
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Total number of retrieved datasets: 10
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