American Mineralogist Crystal Structure Database

5 matching records for this search.

Zippeite
Download hom/zippeite.pdf
Vochten R, Van Haverbeke L, Van Springel K, Blaton N, Peeters O M
Download cm/vol33/CM33_1091.pdf
The Canadian Mineralogist 33 (1995) 1091-1101
The structure and physicochemical characteristics of synthetic zippeite
Note: S occupancies increase from .5 to full to match formula
_database_code_amcsd 0005465
8.755 13.987 17.730 90 104.13 90 C2/c
atom      x      y      z occ  Uiso
K1    .4487  .2408  .1347  .5 .0188
K2     .428  .2654  .0708  .5 .0206
U1    .1668 .01573 .08649     .0134
U2    .6665 .98427 .08618     .0151
S1       .5 -.0078    .25     .0141
S2        0  .0016    .25      .013
O1     .192  .1418  .0712     .0152
O1'    .198  .8978  .1163      .014
O2     .651  .1072  .1110     .0160
O2'    .648  .8647  .0557      .014
OH3    .393  -.028  .0459     .0157
OH4   -.099 -.0059  .0440      .012
O5    .5587 -.0701  .1955     .0145
O6    .0820  .0636  .2048     .0150
O7    .3889  .0549  .1975     .0164
O8     .878 -.0569  .2008      .017
OH9    .285  .2691  .2625     .0191
Wat10  .088   .255   .402      .073
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View JMOL 3-D Structure (permalink)
 
Co0.75K0.5SU2O13H6
 
Peeters O M, Vochten R, Blaton N
Download cm/vol46/CM46_173.pdf
The Canadian Mineralogist 46 (2008) 173-182
The crystal structures of synthetic potassium - transition-metal zippeite-group phases
Sample: K-Co
_database_code_amcsd 0006163
8.651 14.188 17.713 90 104.14 90 C2/c
atom       x       y      z  occ  Uiso
K      .1914    .251  .3992 .385 .0462
Co1    .9448   .2513 .37280 .484 .0225
Co2       .5   .2495    .25 .238 .0124
U1    .41504  .01901 .33474      .0070
U2    .91870 -.01831 .33490      .0102
S      .7510  .00202  .5008      .0121
O1      .405   .1463  .3182       .016
O1'    .4316  -.1037  .3650      .0030
O2      .932   .1044  .3597       .030
O2'     .908  -.1434  .3155       .013
O3      .636   .0008  .2957       .000
O4      .151   .0069  .2941       .027
O5     .8385  -.0592  .4542       .018
O6     .6966  -.0600  .5541       .002
O7     .6216   .0525  .4537       .010
O8     .8650   .0738  .5516       .005
Wat9   .7069    .248  .3346       .023
Wat10   .195    .242  .4264  .76  .014
Wat11  .9537    .252  .4968       .062
Wat12      0    .248    .25  .55  .058
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View JMOL 3-D Structure (permalink)
 
Mn0.75K0.5SU2O13H6
 
Peeters O M, Vochten R, Blaton N
Download cm/vol46/CM46_173.pdf
The Canadian Mineralogist 46 (2008) 173-182
The crystal structures of synthetic potassium - transition-metal zippeite-group phases
Sample: K-Mn
_database_code_amcsd 0006164
8.661 14.375 17.705 90 104.12 90 C2/c
atom       x       y      z  occ  Uiso
K      .2013   .2508  .4049 .389 00337
Mn1    .9512   .2506 .37572 .484 .0152
Mn2       .5   .2501    .25 .248 .0102
U1    .41820  .01872 .33547      .0076
U2    .91460 -.01879 .33410      .0049
S      .7473  .00300  .4989      .0111
O1     .4193   .1444  .3179      .0182
O1'    .4333  -.1056  .3575      .0114
O2     .9397   .1012  .3700      .0102
O2'    .8896  -.1415  .3150      .0038
O3     .6469  -.0067  .2932      .0133
O4     .1475  -.0064  .2957      .0044
O5     .8142  -.0591  .4542      .0171
O6     .6730  -.0560  .5524      .0124
O7     .6215   .0595  .4546      .0141
O8     .8638   .0679  .5539      .0083
Wat9   .7072   .2494  .3354      .0318
Wat10  .2006   .2423  .4292  .70  .025
Wat11  .9498   .2546  .4967      .0324
Wat12      0    .250    .25  .54  .046
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View JMOL 3-D Structure (permalink)
 
Ni0.75K0.5SU2O13H6
 
Peeters O M, Vochten R, Blaton N
Download cm/vol46/CM46_173.pdf
The Canadian Mineralogist 46 (2008) 173-182
The crystal structures of synthetic potassium - transition-metal zippeite-group phases
Sample: K-Ni
_database_code_amcsd 0006165
8.662 14.095 17.770 90 104.18 90 C2/c
atom       x       y      z  occ  Uiso
K      .1916    .250  .4007 .299  0089
Ni1    .9382   .2491 .36853 .442 .0305
Ni2       .5   .2503    .25 .199 .0285
U1    .41719  .01812 .33493      .0137
U2    .91652 -.01847 .33490      .0148
S      .7509  .00185  .5000      .0179
O1     .4169   .1432  .3144       .031
O1'    .4250  -.1080  .3587      .0176
O2     .9380   .1050  .3681       .026
O2'    .9040  -.1482  .3182      .0141
O3     .6415  -.0128  .2919      .0149
O4     .1537  -.0086  .2978      .0170
O5     .8075  -.0669  .4468      .0196
O6     .6680  -.0563  .5466      .0195
O7     .6257   .0530  .4493      .0188
O8     .8693   .0720  .5492      .0107
Wat9   .7029    .251  .3353      .0247
Wat10  .1906    .249  .4443  .77  .027
Wat11  .9540    .249  .4991       .081
Wat12      0    .246    .25  .54  .126
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zn0.75K0.5SU2O13H6
 
Peeters O M, Vochten R, Blaton N
Download cm/vol46/CM46_173.pdf
The Canadian Mineralogist 46 (2008) 173-182
The crystal structures of synthetic potassium - transition-metal zippeite-group phases
Sample: K-Zn
_database_code_amcsd 0006166
8.650 14.180 17.709 90 104.14 90 C2/c
atom       x       y      z  occ  Uiso
K      .1923    0250  .4001  .37 .0309
Zn1    .9478   .2488  .3753 .461 .0238
Zn2       .5   .2480    .25 .226 .0145
U1    .41884  .01922 .33416      .0099
U2    .91483 -.01826 .33517      .0055
S      .7561   .0027  .4980      .0121
O1      .418   .1445  .3143       .014
O1'    .4261  -.1051  .3605       .000
O2      .943   .1017  .3702       .051
O2'    .8910  -.1438  .3201       .010
O3      .652  -.0091  .2969       .017
O4      .146  -.0040  .2935       .006
O5     .8260  -.0479  .4518       .011
O6     .6906  -.0680  .5526       .006
O7      .616   .0676  .4565       .019
O8     .8646   .0622  .5519       .007
Wat9   .7035    .254  .3344       .028
Wat10   .199    .243  .4303  .79  .016
Wat11   .953    .250  .4941       .046
Wat12      0    .252    .25  .37  .058
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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