American Mineralogist Crystal Structure Database

4 matching records for this search.

Alite
 
De la Torre A G, De Vera R N, Cuberos A J M, Aranda M A G
 
Cement and Concrete Research 38 (2008) 1261-1269
Crystal structure of low magnesium-content alite:
application to Rietveld quantitative phase analysis
Locality: synthetic
_database_code_amcsd 0017753
11.6389 14.1716 13.6434 104.982 94.622 90.107 P-1
atom      x      y     z
Ca1   .7125 -.0042 .9730
Ca2   .3412  .1623 .6551
Ca3   .6597  .3158 .3223
Ca4   .8223  .1687 .1756
Ca5   .1724  .3346 .8450
Ca6   .3279  .4045 .6432
Ca7   .6707  .0719 .3199
Ca8   .0481  .1693 .6209
Ca9   .6206  .1722 .7089
Ca10  .3768  .3427 .3084
Ca11  .9699  .3405 .3590
Ca12  .0505  .3924 .6259
Ca13  .3402  .0766 .2826
Ca14  .6184  .4245 .7123
Ca15  .9521  .0952 .3673
Ca16  .4761  .0923 .8637
Ca17  .2089  .2377 .4875
Ca18  .8068  .2589 .5240
Ca19  .5490  .4089 .1439
Ca20  .6942  .4931 .9559
Ca21  .7056  .2334 .9653
Ca22 .29921  .2688 .0390
Ca23  .8846  .0789 .8098
Ca24  .1381  .4221 .1927
Ca25 -.0027  .2746 .9969
Ca26      0      0     0
Ca27      0     .5     0
Ca28     .5     .5    .5
Ca29     .5     .5    .5
Si1   .8215  .4186 .1603
Si2   .4835  .3471 .8684
Si3   .1630  .0879 .8307
Si4   .7998  .0147 .5458
Si5   .1919  .4959 .4539
Si6   .5183  .1532 .1222
Si7   .1412  .1830 .2148
Si8   .8683  .3228 .7875
Si9   .4805  .2448 .5098
O1    .9496  .4169 .1222
O2    .7257  .3838 .0627
O3    .8175  .3423 .2305
O4    .2026  .4708 .7742
O5    .4475  .3950 .9825
O6    .6226  .3338 .8637
O7    .8020  .2058 .3540
O8    .4465  .4181 .7959
O9    .2862  .0862 .7827
O10   .1506  .1933 .9102
O11   .1483  .0024 .8880
O12   .0639  .0695 .7362
O13   .7553  .0448 .6592
O14   .6941 -.0038 .4580
O15   .8773  .1021 .5252
O16   .1226  .0812 .4678
O17   .8157  .4002 .4611
O18   .3156  .4952 .4064
O19   .1864  .4083 .5099
O20   .0871  .4806 .3639
O21   .5091  .2641 .1917
O22   .6421  .1418 .0749
O23   .4139  .1271 .0320
O24   .5087  .0795 .1952
O25   .0135  .1844 .2552
O26   .1738  .0713 .1622
O27   .2334  .2244 .3131
O28   .1430  .2515 .1365
O29   .9933  .3094 .7437
O30   .8520  .2478 .8581
O31   .7646  .3036 .6977
O32   .8572  .4321 .8632
O33   .5987  .2302 .4531
O34   .4058  .1423 .4754
O35   .5100  .2741 .6336
O36   .4038  .3312 .4810
O37   .2007  .2864 .6696
O38   .4780  .0432 .6782
O39   .6690  .0788 .8425
O40   .0040  .2518 .4858
O41   .3358  .4181 .1715
O42   .1515  .3915 .0227
O43   .8020  .2058 .3540
O44   .8837  .1395 .0092
O45   .5521  .4574 .3288
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Ba2 Ca1.856 Cu3.276 O10 Tl1.864
 
Sinclair D, Aranda M, Attfield P, Rodriguez-Carvajal J
 
Physica C 225 (1994) 307-316
Cation distribution and composition of the Tl-2223 superconductor from
combined powder neutron and resonant X-ray diffraction
_cod_database_code 1006076
_database_code_amcsd 0015064
3.85174 3.85174 35.65889 90 90 90 I4/mmm
atom     x     y      z  occ
Tl1  .5276 .5276 .22079 .215
Cu1     .5    .5  .2145 .138
Ba1      0     0 .14530
Ca1      0     0 .04677 .928
Tl2      0     0 .04677 .072
Cu2     .5    .5      0
Cu3     .5    .5 .08879
O1      .5     0      0
O2      .5     0  .0885
O3      .5    .5  .1640
O4   .0819 .0819  .2244  .25
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View JMOL 3-D Structure (permalink)
 
Fluorellestadite
Download hom/fluorellestadite.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 0015322
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
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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)
 
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Total number of retrieved datasets: 4
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