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American Mineralogist Crystal Structure Database

1 matching records for this search.

Pekoite
Download hom/pekoite.pdf 
Mumme W G, Watts J A
The Canadian Mineralogist 14 (1976) 322-333
Pekoite, CuPbBi11S18, a new member of the bismuthinite-alkinite mineral series:
its crystal structure and relationship with naturally- and synthetically-formed members
Note: x-coordinate of S18 changed in order to generate reported bond lengths.
_database_code_amcsd 0005123
11.472 33.744 4.016 90 90 90 P2_1am
atom      x     y  z occ Biso
BiM1  .4685 .9752 .5      .81
BiM2  .3368 .0710  0     1.92
BiM3  .0191 .1408  0     1.56
BiM4  .4891 .3077 .5     4.00
BiM5  .3430 .4060  0     5.90
BiM6  .1582 .2389 .5     1.50
BiM7  .1535 .9049 .5      .24
BiM8  .0255 .8082  0     2.80
BiM9  .4868 .6411 .5     1.74
BiM10 .1718 .5717 .5     1.93
BiM11 .0098 .4748  0     1.20
BiM12 .3326 .7521  0  .3 3.00
PbM12 .3326 .7521  0  .7 3.00
Cu    .2455 .6525  0  .7 5.00
S1    .2754 .0179 .5 .83 1.05
Se1   .2754 .0179 .5 .17 1.05
S2    .1150 .1018 .5 .83 2.15
Se2   .1150 .1018 .5 .17 2.15
S3    .0500 .2958  0 .83 1.65
Se3   .0500 .2958  0 .17 1.65
S4    .0454 .9600  0 .83 2.00
Se4   .0454 .9600  0 .17 2.00
S5    .4546 .1291 .5 .83 1.35
Se5   .4546 .1291 .5 .17 1.35
S6    .3700 .9370  0 .83 1.80
Se6   .3700 .9370  0 .17 1.80
S7    .2854 .3515 .5 .83 2.15
Se7   .2854 .3515 .5 .17 2.15
S8    .3705 .2684  0 .83  .95
Se8   .3705 .2684  0 .17  .95
S9    .2200 .1849  0 .83 1.06
Se9   .2200 .1849  0 .17 1.06
S10   .2056 .5179  0 .83 1.85
Se10  .2056 .5179  0 .17 1.85
S11   .3795 .6018  0 .83 2.14
Se11  .3795 .6018  0 .17 2.14
S12   .4549 .7958 .5 .83 1.44
Se12  .4549 .7958 .5 .17 1.44
S13   .4546 .4624 .5 .83 1.85
Se13  .4546 .4624 .5 .17 1.85
S14   .0550 .6291  0 .83 1.65
Se14  .0550 .6291  0 .17 1.65
S15   .1205 .4351 .5 .83  .85
Se15  .1205 .4351 .5 .17  .85
S16   .2146 .8520  0 .83 1.05
Se16  .2146 .8520  0 .17 1.05
S17   .1205 .7684 .5 .83 1.15
Se17  .1205 .7684 .5 .17 1.15
S18   .2854 .6849 .5 .83 2.56
Se18  .2854 .6849 .5 .17 2.56


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