American Mineralogist Crystal Structure Database

4 matching records for this search.

Ellestadite-(OH)
Download hom/ellestaditeoh.pdf
Onac B P, Effenberger H, Ettinger K, Panzaru S P
Download am/vol91/AM91_1927.pdf
American Mineralogist 91 (2006) 1927-1931
Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical,
structural, and vibrational spectroscopy data
Locality: Cioclovina Cave, Sureanu Mountains, Romania
_database_code_amcsd 0004258
9.496 9.496 6.920 90 90 120 P6_3/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)
Ca1     1/3    2/3 .00183      .02887  .0372  .0372  .0123  .0186      0      0
Ca2  .24567 .99330    .25      .02440  .0276  .0281  .0173  .0138      0      0
SiT  .39939 .37013    .25  .42 .01300  .0147  .0133  .0120  .0077      0      0
ST   .39939 .37013    .25  .36 .01300  .0147  .0133  .0120  .0077      0      0
PT   .39939 .37013    .25  .22 .01300  .0147  .0133  .0120  .0077      0      0
O1    .3276  .4848    .25       .0248  .0359  .0244  .0208  .0201      0      0
O2    .5879  .4659    .25       .0263  .0186  .0193  .0387  .0077      0      0
O3    .3460  .2592  .0696       .0328  .0521  .0305  .0244  .0271 -.0166 -.0070
OHZ       0      0  .1975  .41  .0347  .0170  .0170   .070  .0085      0      0
FZ        0      0  .1975 .045  .0347  .0170  .0170   .070  .0085      0      0
ClZ       0      0  .1975 .035  .0347  .0170  .0170   .070  .0085      0      0
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View JMOL 3-D Structure (permalink)
 
Ellestadite-(F)
Download hom/ellestaditef.pdf
Pajares I, De la Torre A G, Martinez-Ramirez S, Puertas F, Blanco-Varela M T, Aranda M A G
 
Powder Diffraction 17 (2002) 281-286
Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite
Locality: synthetic
_database_code_amcsd 0015323
9.44174 9.44174 6.93964 90 90 120 P6_3/m
atom     x     y     z occ Uiso
Ca1    1/3   2/3 .0016     .031
Ca2  .2399 .9920   .25     .022
Si   .3961 .3684   .25  .5 .012
S    .3961 .3684   .25  .5 .012
O1   .3234 .4846   .25     .014
O2   .5865 .4683   .25     .018
O3   .3385 .2568 .0709     .022
F        0     0   .25     .026
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ellestadite-(Cl)
Download hom/ellestaditecl.pdf
Saint-Jean S J, Hansen S
 
Solid State Sciences 7 (2005) 97-102
Nonstoichiometry in chlorellestadite
Locality: synthetic
Sample: Stoichiometric
_database_code_amcsd 0015528
9.6773 9.6773 6.8585 90 90 120 P6_3/m
atom      x      y      z occ Biso
Ca1     1/3    2/3 -.0051      2.0
Ca2   .2592 -.0045    .25      2.1
Si    .4073  .3738    .25  .5  1.3
S     .4073  .3738    .25  .5  1.3
O1    .3395  .4941    .25      2.1
O2    .5859  .4716    .25      2.1
O3    .3444  .2625  .0673      2.1
Cl        0      0   .451  .5  6.9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ellestadite-(Cl)
Download hom/ellestaditecl.pdf
Saint-Jean S J, Hansen S
 
Solid State Sciences 7 (2005) 97-102
Nonstoichiometry in chlorellestadite
Locality: synthetic
Sample: Nonstoichiometric
_database_code_amcsd 0015529
9.5608 9.5608 6.8949 90 90 120 P6_3/m
atom      x      y     z occ Biso
Ca1     1/3    2/3 .0024      2.6
Ca2   .2548 -.0046   .25  .9  2.1
Si    .4025  .3792   .25  .5  2.0
S     .4025  .3792   .25  .5  2.0
O1    .3299  .4835   .25      2.7
O2     .579   .464   .25      2.7
O3    .3410  .2535 .0729      2.7
Cl        0      0  .451  .2  6.9
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: 4
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