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American Mineralogist Crystal Structure Database

1 matching records for this search.

Holdawayite
Download hom/holdawayite.pdf 
Peacor D R, Rouse R C
Download am/vol73/AM73_637.pdf 
American Mineralogist 73 (1988) 637-642
Holdawayite, Mn6(CO3)2(OH)7(Cl,OH), a structure containing anions in
zeolite-like channels
_database_code_amcsd 0001165
23.437 3.3137 16.618 90 111.15 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)
Mn1  .0965     0 .2971 .97        .0143  .0134  .0140      0  .0059      0
Mn2  .4350     0 .2229            .0146  .0088  .0157      0  .0062      0
Mn3  .8440     0 .3167 .96        .0144  .0134  .0160      0  .0062      0
Mn4  .6775     0 .1729 .76        .0142  .0147  .0136      0  .0047      0
Mn5  .6661     0 .4915 .96        .0209  .0127  .0126      0  .0030      0
Mn6  .8374     0 .0164 .93        .0203  .0125  .0146      0  .0078      0
C1   .7306     0 .3650            .0157  .0097  .0168      0  .0070      0
C2   .2858     0 .1378            .0140  .0070  .0212      0  .0090      0
O1   .7463     0 .2973            .0093  .0240  .0075      0  .0052      0
O2   .7721     0 .4421            .0113  .0265  .0064      0 -.0012      0
O3   .9187     0 .1312            .0115  .0146  .0108      0  .0078      0
O4   .1255     0 .1893            .0158  .0182  .0062      0  .0050      0
O5   .6311     0 .0385            .0095  .0198  .0068      0  .0007      0
O6   .5353     0 .2458            .0155  .0117  .0175      0  .0023      0
O7   .3658     0 .4023            .0043  .0197  .0101      0  .0002      0
O8   .2984     0 .0677            .0200  .0258  .0096      0  .0094      0
O9   .9331     0 .3058            .0043  .0168  .0096      0  .0005      0
O10  .1064     0 .4269            .0108  .0181  .0060      0  .0051      0
O11  .6732     0 .3572            .0078  .0164  .0230      0  .0113      0
O12  .2288     0 .1302            .0035  .0253  .0214      0  .0038      0
O13  .3291     0 .2131            .0055  .0246  .0103      0  .0010      0
Cl1      0     0     0 .23 .0313
Cl2      0     0    .5 .24 .0385
Cl3      0    .5    .5 .26 .0306
Cl4      0 .2625    .5 .17 .0212
Cl5      0 .1547     0 .31  .084
H1     .96     0   .36
H2    .596     0  .019
H3    .943     0  .106
H4    .401     0  .423
H5    .084     0  .453
H6    .534     0  .183
H7    .109     0  .148


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	Total number of retrieved datasets: 1

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