American Mineralogist Crystal Structure Database

13 matching records for this search.

NiPS
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
_database_code_amcsd 0014007
5.5386 5.5386 5.5386 90 90 90 P2_13
atom     x     y     z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .0000 .0000 .0000 .00516 .00516 .00516 .00516 .00002 .00002 .00002
P    .6118 .6118 .6118  .0048  .0048  .0048  .0048  .0002  .0002  .0002
S    .3882 .3882 .3882  .0071  .0071  .0071  .0071  .0003  .0003  .0003
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Gersdorffite-P213
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014008
5.6888 5.6888 5.6888 90 90 90 P2_13
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .9944 .9944 .9944 .0047  .0047  .0047  .0047  .0002  .0002  .0002
As   .6182 .6182 .6182 .0068  .0068  .0068  .0068  .0002  .0002  .0002
S    .3849 .3849 .3849 .0013  .0013  .0013  .0013  .0001  .0001  .0001
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Ullmannite
Download hom/ullmannite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014009
5.9341 5.9341 5.9341 90 90 90 P2_13
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .98123 .98123 .98123 .00655 .00655 .00655 .00655 .00002 .00002 .00002
Sb   .62674 .62674 .62674 .00652 .00652 .00652 .00652 .00035 .00035 .00035
S    .38118 .38118 .38118  .0070  .0070  .0070  .0070 -.0001 -.0001 -.0001
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Jolliffeite
Download hom/jolliffeite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014010
5.8469 5.8469 5.8469 90 90 90 P2_13
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni   .0001 .0001 .0001 .0060  .0060  .0060  .0060  .0003  .0003  .0003
As   .6208 .6208 .6208 .0053  .0053  .0053  .0053  .0007  .0007  .0007
Se   .3789 .3789 .3789 .0069  .0069  .0069  .0069  .0006  .0006  .0006
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NiSbSe
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
_database_code_amcsd 0014011
6.0868 6.0868 6.0868 90 90 90 P2_13
atom     x     y     z  Uiso
Ni   .9871 .9871 .9871 .0078
Sb   .6278 .6278 .6278 .0103
Se   .3784 .3784 .3784 .0204
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Hollingworthite
Download hom/hollingworthite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014012
5.9507 5.9507 5.9507 90 90 90 P2_13
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pd   .9997 .9997 .9997 .0061  .0061  .0061  .0061  .0000  .0000  .0000
As   .6129 .6129 .6129 .0073  .0073  .0073  .0073  .0001  .0001  .0001
S    .3919 .3919 .3919 .0061  .0061  .0061  .0061  .0010  .0010  .0010
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Kalungaite
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014013
6.0948 6.0948 6.0948 90 90 90 P2_13
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pd   .99390 .99390 .99390 .00678 .00678 .00678 .00678 -.00006 -.00006 -.00006
As   .61403 .61403 .61403  .0061  .0061  .0061  .0061   .0005   .0005   .0005
Se   .38380 .38380 .38380  .0087  .0087  .0087  .0087   .0008   .0008   .0008
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Milotaite
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014014
6.3240 6.3240 6.3240 90 90 90 P2_13
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pd   .99618 .99618 .99618 .00766 .00766 .00766 .00766 -.00015 -.00015 -.00015
Sb   .62342 .62342 .62342  .0084  .0084  .0084  .0084   .0007   .0007   .0007
Se   .38203 .38203 .38203  .0087  .0087  .0087  .0087   .0006   .0006   .0006
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Testibiopalladite
Download hom/testibiopalladite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014015
6.5362 6.5362 6.5362 90 90 90 P2_13
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pd   .99802 .99802 .99802 .0091  .0091  .0091  .0091  .0000  .0000  .0000
Sb   .62709 .62709 .62709 .0097  .0097  .0097  .0097  .0012  .0012  .0012
Te   .37278 .37278 .37278 .0114  .0114  .0114  .0114  .0010  .0010  .0010
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NiP1.86Se0.14
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
_database_code_amcsd 0014016
5.479 5.479 5.479 90 90 90 Pa3
atom     x     y     z occ Biso
Ni       0     0     0       .9
P    .3839 .3839 .3839 .93   .8
Se   .3839 .3839 .3839 .07   .8
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Penroseite
Download hom/penroseite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014017
5.901 5.901 5.901 90 90 90 Pa3
atom     x     y     z occ Biso
Ni       0     0     0       .8
P    .3844 .3844 .3844 .12  .46
Se   .3844 .3844 .3844 .88  .46
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Hexatestibiopanickelite
Download hom/hexatestibiopanickelite.pdf
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
Locality: synthetic
_database_code_amcsd 0014018
3.9158 3.9158 5.2011 90 90 120 P6_3/mmc
atom   x   y   z  occ  Uiso
Ni     0   0   0 .766 .0088
Sb   1/3 2/3 .25  .50 .0092
Te   1/3 2/3 .25  .50 .0092
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PdPSe
 
Foecker A J, Jeitschko W
 
Journal of Solid State Chemistry 162 (2001) 69-78
The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
_database_code_amcsd 0014019
13.594 5.8317 5.8583 90 90 90 Pbcn
atom      x     y     z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pd   .38939 .2410 .1538 .0078  .0139  .0052  .0044   .0014   .0007  -.0002
P     .0791 .3757 .2850 .0081  .0111  .0068  .0063  -.0004   .0001  -.0004
Se   .15643 .1342 .0389 .0079  .0126  .0057  .0054   .0017   .0002  -.0000
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Total number of retrieved datasets: 13
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