American Mineralogist Crystal Structure Database

7 matching records for this search.

Tyrolite
Download hom/tyrolite.pdf
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T,
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G
Download am/vol91/AM91_1378.pdf
American Mineralogist 91 (2006) 1378-1384
Crystal chemistry and polytypism of tyrolite
Sample: Brixlegg, Schwaz, Tyrol, Austria
Note: Tyrolite-1M polytype
_database_code_amcsd 0004223
27.562 5.5682 10.4662 90 98.074 90 P2/c
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .65147 -.2505  .9456     .0153  .0248  .0090  .0129 -.0026  .0052 -.0003
Cu1   .76399 -.1650 .84020     .0121  .0222  .0096  .0051  .0015  .0041 -.0007
Cu2   .85745 -.1824 .02406     .0135  .0216  .0124  .0074  .0014  .0049 -.0039
Cu3   .94819 -.5359  .9187     .0132  .0258  .0069  .0073  .0035  .0041  .0002
Cu4   .76470 -.4692  .0984     .0123  .0231  .0049  .0102  .0013  .0065  .0025
Cu5    .0000  .0000  .0000     .0183  .0387  .0088  .0081  .0070  .0055  .0002
As1   .86524 -.2818 .71749     .0098  .0205  .0037  .0062  .0000  .0052 -.0003
As2   .69328 -.6964 .79980     .0119  .0238  .0042  .0085 -.0007  .0053  .0000
O1     .8339  -.294  .8477      .012   .019   .007   .012   .000   .006  -.007
O2     .8329  -.573  .0938      .016   .016   .012   .021   .002   .006   .002
O3     .9197  -.585  .2544      .015   .030   .012   .004  -.007   .007   .000
Wat4   .5928  -.423  .0623      .029   .037   .032   .021  -.010   .014  -.003
Wat5   .6363   .104  .0679      .034   .045   .016   .043   .002   .012   .007
O6     .8764  -.011  .1880      .014   .024   .003   .015   .004   .003  -.003
O7     .5876  -.095  .7893  .5  .050   .047   .078   .026   .026   .003   .014
Wat7   .5876  -.095  .7893  .5  .050   .047   .078   .026   .026   .003   .014
O8     .7032  -.326  .1443      .014   .019   .014   .011  -.001   .013  -.006
O9     .6352  -.617  .8116      .019   .030   .019   .011  -.002   .013   .000
OH10   .9807  -.697  .0700      .015   .028   .012   .006   .000   .007   .004
OH11   .9251  -.270  .0219      .016   .017   .015   .017   .002   .004  -.006
O12    .7270  -.498  .8955      .020   .040   .009   .009  -.010   .002  -.002
O13    .7023   .016  .8505      .017   .025   .007   .022   .000   .015   .002
OH14   .7496  -.210  .6559      .010   .024   .005   .002  -.002   .006   .001
Wat15  .9704  -.844  .8322      .018   .033   .009   .014  -.001   .007   .007
OH16   .7863  -.155  .0259      .012   .017   .003   .018  -.002   .004   .002
Wat17  .8715   .207   .915      .037   .040   .037   .036   .000   .010   .012
Wat18  .8060   .215   .820 .50  .014
O19    .5057  -.075   .702 .50  .062
Wat20  .4945  -.333   .018 .50  .056
O21    .5303   .068   .885 .50  .070
C1     .5417  -.050   .791 .38  .022
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View JMOL 3-D Structure (permalink)
 
Tyrolite
Download hom/tyrolite.pdf
Krivovichev S V, Chernyshov D Y, Dobelin N, Armbruster T,
Kahlenberg V, Kaindl R, Tessadri R, Kaltenhauser G
Download am/vol91/AM91_1378.pdf
American Mineralogist 91 (2006) 1378-1384
Crystal chemistry and polytypism of tyrolite
Sample: Brixlegg, Schwaz, Tyrol, Austria
Note: Tyrolite-2M polytype
_database_code_amcsd 0004224
54.520 5.5638 10.4647 90 96.432 90 C2/c
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .17535 .7487 .1761     .0230   .035   .015   .019   .002   .004   .005
Cu1   .11904 .1677 .4955     .0158   .017   .016   .016  .0016   .006  .0028
Cu2   .07184 .8169 .1187     .0150   .019   .018   .009 -.0016  .0044 -.0042
Cu3   .02610 .5363 .4525     .0141   .024   .004   .014  .0046   .001 -.0005
Cu4   .11848 .5279 .2534     .0193   .017   .013   .027  .0005   .000   .002
Cu5        0     0     0     .0206   .032   .011   .019  -.010   .005  -.003
As1   .06791 .2812 .3060     .0123  .0157  .0067   .014 -.0006  .0008 -.0003
As2   .15438 .3027 .0029     .0181  .0194  .0092   .026  .0014  .0064 -.0006
O1     .0830  .294  .455      .012
O2     .0841  .431  .201      .017
O3     .0405  .418  .300      .009
Wat4   .2055  .581  .338      .043
Wat5   .1829  .108  .286      .043
O6     .0624  .003  .270      .018
O7     .2087  .894  .053  .5  .061
Wat7   .2087  .894  .053  .5  .061
O8     .1496  .320  .838      .014
O9     .1836  .378  .062      .028
OH10   .0092  .301  .074      .028
OH11   .0378  .274  .577      .022
O12    .1372  .500  .074      .024
O13    .1500  .011  .049      .020
OH14   .1264  .212  .323      .012
Wat15  .0148  .146  .848      .019
OH16   .1078  .844  .167      .016
Wat17  .0652  .202  .001       .10
Wat18  .0978  .797  .454      .076
Wat19   .248   .56   .10 .50   .15
Wat20   .248   .17  .150 .50   .08
Wat21   .256   .79   .06 .21  .080
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006169
_database_code_amcsd 0012646
5.479 7.686 5.453 90 90 90.3 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .035 .242 -.014 .75
Sr1  .035 .242 -.014 .25
O1   .483 .262  .055
O2   .289 .044  .742
O3   .686 .539  .296
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006170
_database_code_amcsd 0012647
5.5062 7.672 5.435 90 90 90.49 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .042 .237 -.024 .75
Sr1  .042 .237 -.024 .25
O1   .491 .242  .057
O2   .297 .034   .71
O3   .713 .541  .307
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006171
_database_code_amcsd 0012648
5.498 7.672 5.435 90 90 90.47 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .043 .237 -.022 .75
Sr1  .043 .237 -.022 .25
O1   .492 .247  .049
O2   .302 .035  .703
O3   .718 .545  .306
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mn O3 Sm0.75 Sr0.25
 
Dunaevskii S, Kurbakov A, Trunov V, Chernyshov D, Popov V, Chernyshev V, Rodriguez-Carvajal J
 
Solid State Physics 40 (1998) 1271-1276
Atomic structure and transport and magnetic properties of the
Sm1-xSrxMnO3 system
_cod_database_code 1006172
_database_code_amcsd 0012649
5.494 7.675 5.436 90 90 90.5 P2_1/a
atom    x    y     z occ
Mn1    .5    0     0
Mn2     0   .5    .5
Sm1  .044 .238 -.018 .75
Sr1  .044 .238 -.018 .25
O1   .492 .248  .043
O2   .313 .034  .694
O3   .725 .548  .306
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Boron
 
Zarechnaya E Y, Dubrovinsky L, Dubrovinskaia N, Filinchuk Y, Chernyshov D, Dmitriev V,
Miyajima N, El Goresy A, Braun H F, Van Smaalen S, Kantor I, Kantor A, Prakapenka V,
Hanfland M, Mikhaylushkin A S, Abrikosov I A, Simak S I
 
Physical Review Letters 102 (2009) 185501-1185501-4
Superhard semiconducting optically transparent high pressure phase of boron
Note: crystal quenched from 20 GPa, 1700 K
Locality: synthetic
_database_code_amcsd 0015285
5.0576 5.6245 6.9884 90 90 90 Pnnm
atom     x     y     z
B1   .1539 .5938 .7924
B2   .6469 .7284    .5
B3   .3362 .5076     0
B4   .8391 .7189 .8737
B5   .6690 .9823     0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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