American Mineralogist Crystal Structure Database

1 matching records for this search.

Whiteite-(MnMnMg)
 
Elliott P, Willis A C
 
The Canadian Mineralogist 57 (2019) 215-223
Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia:
Description and crystal structure
Note: Not all hydrogens were located
Locality: Iron Monarch quarry, Iron Knob, South Australia, Australia
_database_code_amcsd 0020863
15.0357 6.9408 9.9431 90 110.827 90 P2/a
atom          x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnX         .25 .96332      0 .57 .0193  .0191  .0114  .0208      0 -.0013      0
CaX         .25 .96332      0 .39 .0193  .0191  .0114  .0208      0 -.0013      0
NaX         .25 .96332      0 .03 .0193  .0191  .0114  .0208      0 -.0013      0
KX          .25 .96332      0 .01 .0193  .0191  .0114  .0208      0 -.0013      0
Mn2+M1      .25 .46379      0 .92 .0119  .0134  .0114  .0128      0  .0069      0
MgM1        .25 .46379      0 .08 .0119  .0134  .0114  .0128      0  .0069      0
Mg1M2a       .5      0     .5     .0061  .0058  .0047  .0072 -.0031  .0015 -.0003
Mg2M2b      .25 .50254     .5     .0053  .0057  .0058  .0053      0  .0030      0
Al1M3a        0      0      0 .91 .0061  .0067  .0027  .0096  .0003  .0037  .0009
Mn3+1M3a      0      0      0 .09 .0061  .0067  .0027  .0096  .0003  .0037  .0009
Al2M3b        0     .5      0 .91 .0053  .0058  .0025  .0088  .0004  .0040  .0008
Mn3+2M3b      0     .5      0 .08 .0053  .0058  .0025  .0088  .0004  .0040  .0008
P1       .17761 .25464 .18935     .0120  .0128  .0117  .0118 -.0005  .0050  .0003
P2       .08209 .74881 .80415     .0111  .0113  .0110  .0117  .0019  .0050  .0012
O1       .26524  .2062  .1480     .0260  .0175  .0400  .0243  .0092  .0122  .0107
O2       .20714  .2949  .3480     .0222  .0357  .0168  .0132 -.0028  .0074 -.0013
O3       .10982  .0832  .1505     .0244  .0259  .0102  .0262  .0023 -.0043 -.0029
O4       .13398  .4327  .0933     .0143  .0140  .0101  .0187  .0012  .0055 -.0008
O5       .18921  .6944  .8555     .0184  .0130  .0241  .0177  .0038  .0048  .0033
O6       .04660  .7830  .6426     .0170  .0190  .0177  .0128  .0043  .0039  .0021
O7       .08062  .9323  .8916     .0191  .0285  .0103  .0245 -.0002  .0168 -.0028
O8       .02511  .5859  .8379     .0152  .0207  .0100  .0182  .0003  .0109 -.0003
OH9      .02159  .7501  .0851     .0124  .0141  .0080  .0153  .0001  .0054 -.0003
OW10     .22716  .7279  .3441     .0249  .0343  .0242  .0215  .0035  .0163  .0075
OW11      .4464  .2178  .3433     .0308  .0395  .0164  .0226 -.0008 -.0059 -.0034
OW12     .63093  .9986  .4694     .0260  .0222  .0222  .0368 -.0126  .0143 -.0055
OW13     .39149  .5151  .5129     .0221  .0174  .0179  .0314  .0050  .0092 -.0002
H10a       .234   .725   .263       .05
H11a       .391   .198   .270       .05
H11b       .422   .316   .384       .05
H12a       .648   .905   .433       .05
H12b       .675   .053   .528       .05
H13a       .414   .601   .473       .05
H13b       .423   .473   .581       .05
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