American Mineralogist Crystal Structure Database

16 matching records for this search.

Vysotskite
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Brese N E, Squattrito P J, Ibers J A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=1829
Acta Crystallographica C41 (1985) 1829-1830
Reinvestigation of the structure of PdS
Locality: synthetic
_database_code_amcsd 0010019
6.429 6.429 6.611 90 90 90 P4_2/m
atom       x       y      z Biso
Pd1        0       0    .25  .35
Pd2       .5       0      0  .33
Pd3  .257132 .467792      0  .33
S     .30754  .19361 .22904  .37
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N5 Ta3
 
Brese N, O'Keefe M, Rauch P, DiSalvo F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=2291
Acta Crystallographica C47 (1991) 2291-2294
Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction
_cod_database_code 1005006
_database_code_amcsd 0010266
3.8862 10.2118 10.2624 90 90 90 Cmcm
atom x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1  0  .1971    .25  .0048  .0083  .0037      0      0      0
Ta2  0 .13455 .55906  .0037  .0075  .0069      0    .01      0
N1   0 .76322    .25  .0080  .0086  .0088      0      0      0
N2   0 .04701 .11949  .0136  .0081  .0083      0 -.0008      0
N3   0 .30862 .07378  .0070  .0083  .0095      0  .0012      0
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Ce3 Cl6 N
 
Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F
 
Journal of Alloys and Compounds 206 (1994) 95-101
New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl
_cod_database_code 1005025
_database_code_amcsd 0012764
10.708 11.233 16.52699 90 90 90 Pbca
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  .1409  .0219 .4367   .010   .018   .013   .000   .001  -.001
Ce2  .3394 -.0352 .1773   .013   .023   .012  -.001   .001  -.002
Ce3  .0132  .2105 .0484   .012   .017   .018  -.001   .000   .001
Cl1  .2519  .7834 .4544   .016   .020   .030   .001  -.005   .000
Cl2  .3711  .0608 .3399   .018   .039   .016  -.007   .003  -.007
Cl3  .1034 -.0805 .2722   .017   .033   .018  -.001   .003  -.004
Cl4  .6418 -.0309 .4471   .013   .021   .019   .001  -.001   .000
Cl5  .1691  .2105 .1878   .023   .026   .024   .000  -.005   .003
Cl6  .5311  .6882 .3758   .023   .024   .024  -.004   .005   .002
N1   .4481 -.0929 .0612   .011   .018   .013  -.002   .003  -.001
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Ce3 Cl6 N
 
Ehrlich G, Badding M, Brese N, Trail S, DiSalvo F
 
Journal of Alloys and Compounds 235 (1996) 133-134
Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl"
_cod_database_code 1005022
_database_code_amcsd 0012774
10.708 11.233 16.52699 90 90 90 Pbca
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1  .1409  .0219 .4367   .010   .018   .013   .000   .001  -.001
Ce2  .3394 -.0352 .1773   .013   .023   .012  -.001   .001  -.002
Ce3  .0132  .2105 .0484   .012   .017   .018  -.001   .000   .001
Cl1  .2519  .7834 .4544   .016   .020   .030   .001  -.005   .000
Cl2  .3711  .0608 .3399   .018   .039   .016  -.007   .003  -.007
Cl3  .1034 -.0805 .2722   .017   .033   .018  -.001   .003  -.004
Cl4  .6418 -.0309 .4471   .013   .021   .019   .001  -.001   .000
Cl5  .1691  .2105 .1878   .023   .026   .024   .000  -.005   .003
Cl6  .5311  .6882 .3758   .023   .024   .024  -.004   .005   .002
N1   .4481 -.0929 .0612   .011   .018   .013  -.002   .003  -.001
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Cu N Sr
 
DiSalvo F, Trail S, Yamane H, Brese N
 
Journal of Alloys and Compounds 255 (1997) 122-129
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
_cod_database_code 1005038
_database_code_amcsd 0012786
9.045 13.234 5.388 90 90 90 Pnma
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1  .1796 .1564 .5129   .007   .004   .004  -.001   .002   .002
Sr1  .3403 .0866 .0157   .004   .005   .005   .001  -.002  -.001
N1   .0871 .0799 .7566   .007   .009   .010   .002   .007   .007
Sr2  .0226   .25 .0020   .002   .005   .004      0   .001      0
N2   .2576   .25 .2844   .005   .002   .004      0   .003      0
Cu2      0     0     0   .007   .008   .005  -.003   .001   .001
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Cu3 N5 Sr6
 
DiSalvo F, Trail S, Yamane H, Brese N
 
Journal of Alloys and Compounds 255 (1997) 122-129
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
_cod_database_code 1005039
_database_code_amcsd 0012787
8.6570 8.6570 7.334 90 90 90 P4_2mc
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1  .2664 .3033  .2087   .008   .006   .014  -.001   .002  -.001
Sr2      0    .5  .5198   .003   .010   .020      0      0      0
Sr3      0     0 -.0011   .004   .006   .012      0      0      0
Cu1  .3586     0  .4347   .007   .007   .017      0   .000      0
Cu2     .5    .5  .4731   .003   .005   .016      0      0      0
N1   .2850    .5  .4851   .016   .006   .021      0   .004      0
N2   .2178     0  .2429   .009   .011   .021      0  -.006      0
N3       0    .5  .1383   .010   .006   .027      0      0      0
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AgO
 
Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B
 
Journal of Solid State Chemistry 89 (1990) 184-190
Low-temperature structures of CuO and AgO and their
relationships to those of MgO and PdO
Note: T = 9 K
Locality: synthetic
_database_code_amcsd 0018807
5.8517 3.4674 5.4838 90 107.663 90 P2_1/c
atom     x     y     z  Uiso
Ag1      0     0     0 .0013
Ag2    1/2     0   1/2 .0017
O    .2949 .3470 .2187 .0010
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Ag2SO4
 
Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B
 
Journal of Solid State Chemistry 89 (1990) 184-190
Low-temperature structures of CuO and AgO and their
relationships to those of MgO and PdO
Note: T = 9 K
Locality: synthetic
_database_code_amcsd 0018808
5.7960 12.6670 10.2238 90 90 90 *Fddd
.125 .125 .125
atom      x     y     z  Uiso
Ag      1/8   1/8 .4437  .010
S       1/8   1/8   1/8 -.004
O    -.0192 .0571 .2112 .0089
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Tenorite
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Brese N E, O'Keeffe M, Ramakrishna B L, von Dreele R B
 
Journal of Solid State Chemistry 89 (1990) 184-190
Low-temperature structures of CuO and AgO and their
relationships to those of MgO and PdO
Note: T = 11 K
Locality: synthetic
_database_code_amcsd 0018821
4.6833 3.4208 5.1294 90 99.567 90 C2/c
atom   x     y   z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu   .25   .25   0 .0027  .0017  .0042  .0027  .0011  .0012  .0002
O      0 .4179 .25 .0034  .0036  .0056  .0017      0  .0016      0
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Ba Co S2
 
Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R
 
Journal of Solid State Chemistry 127 (1996) 211-221
Polymorphism and superstructure in Ba Co S2-d
_cod_database_code 1005029
_database_code_amcsd 0013910
4.568 4.568 8.942 90 90 90 *P4/nmm
.25 -.25 0
atom   x   y     z
Ba1  .25 .25 .6975
Co1  .25 .25 .0933
S1   .25 .25 .3488
S2   .75 .25     0
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Ba Co S1.84
 
Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R
 
Journal of Solid State Chemistry 127 (1996) 211-221
Polymorphism and superstructure in Ba Co S2-d
_cod_database_code 1005030
_database_code_amcsd 0013911
6.4390 6.4909 8.9379 90 90 90 Cmma
atom   x   y     z occ
Ba1    0 .25 .1973
Co1    0 .25 .5895
S1     0 .25 .8433
S2   .25  .5    .5 .84
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Ce2 Pd9 Sb3
 
Gordon R, DiSalvo F, Poettgen R, Brese N
 
Journal of the Chemical Society, Faraday Transactions 92 (1996) 2167-2171
Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3
_cod_database_code 1005044
_database_code_amcsd 0014109
13.769 8.0412 9.3482 90 90 90 Cmcm
atom      x      y      z
Ce1  .34547 .32828    .25
Pd1  .17109 .17061 .08478
Pd2       0  .3323  .5268
Pd3       0  .1457    .25
Pd4  .09840  .4582    .25
Sb1       0      0      0
Sb2  .32369      0      0
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Insizwaite
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Brese N E, von Schnering H G
 
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
PdSb2, PtSb2 and PtBi2
Locality: synthetic
_database_code_amcsd 0015804
6.7014 6.7014 6.7014 90 90 90 Pa3
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pt       0     0     0  .0114  .0114  .0114 -.0001 -.0001 -.0001
Bi   .3710 .3710 .3710  .0128  .0128  .0128  .0015  .0015  .0015
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PdAs2
 
Brese N E, von Schnering H G
 
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
PdSb2, PtSb2 and PtBi2
_database_code_amcsd 0015805
5.9790 5.9790 5.9790 90 90 90 Pa3
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pd        0      0      0  .0045  .0045  .0045  .0000  .0000  .0000
As   .38317 .38317 .38317  .0054  .0054  .0054  .0002  .0002  .0002
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PdSb2
 
Brese N E, von Schnering H G
 
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
PdSb2, PtSb2 and PtBi2
_database_code_amcsd 0015806
6.464 6.464 6.464 90 90 90 Pa3
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pd       0     0     0  .0065  .0065  .0065  .0004  .0004  .0004
Sb   .3733 .3733 .3733  .0090  .0090  .0090  .0005  .0005  .0005
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Geversite
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Brese N E, von Schnering H G
 
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1994) 393-404
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2,
PdSb2, PtSb2 and PtBi2
Locality: synthetic
_database_code_amcsd 0015807
6.4423 6.4423 6.4423 90 90 90 Pa3
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pt       0     0     0  .0084  .0084  .0084  .0000  .0000  .0000
Sb   .3753 .3753 .3753  .0095  .0095  .0095  .0016  .0016  .0016
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Total number of retrieved datasets: 16
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