American Mineralogist Crystal Structure Database

4 matching records for this search.

Ca O4 Si Sr
 
Il'inets A, Nevskii N, Ilyukhin V, Bikbau M, Belov N
 
Doklady Akademii Nauk SSSR 267 (1982) 641-644
The crystal structure of alpha'-modification of dicalcium silicate Ca
(Ca, Sr) Si O4
_cod_database_code 1100022
_database_code_amcsd 0018223
20.871 9.496 5.600 90 90 90 Pna2_1
atom    x    y    z
Sr1  .279 .421 .740
Sr2  .445 .078 .766
Sr3  .111 .078 .752
Ca1  .001 .200 .267
Ca2  .335 .200 .237
Ca3  .168 .299 .246
Si1  .259 .083 .740
Si2  .427 .416 .749
Si3  .092 .416 .760
O1   .111 .065 .318
O2   .445 .067 .322
O3   .249 .194 .531
O4   .065 .328 .987
O5   .227 .156 .981
O6   .083 .309 .542
O7   .281 .436   .3
O8   .333 .061 .820
O9   .166 .431 .813
O10  .403 .328 .978
O11  .002 .056 .753
O12  .403 .341   .5
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Jasmundite
Download hom/jasmundite.pdf
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
_database_code_amcsd 0020211
10.452 10.452 8.6977 90 90 90 I4/mmm
atom      x      y      z occ Biso
Ca1       0 .24959 .30015 .94 1.70
Mg1       0 .24959 .30015 .06 1.70
Ca2       0      0      0 .88  .54
Mg2       0      0      0 .12  .54
Ca3       0     .5      0 .97  .95
Mg3       0     .5      0 .03  .95
Si   .21042 .21042      0      .61
O1    .1795  .3637      0     1.18
O2    .1447  .1447  .1507      .94
O3        0     .5    .25     1.98
S         0      0     .5     1.11
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Alinite
 
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
Note: Cr-bearing material
_database_code_amcsd 0020212
10.485 10.485 8.609 90 90 90 I4/mmm
atom     x     y     z occ Biso
Ca1      0 .2617 .2909     1.47
Ca2      0     0     0      .71
Ca3      0    .5     0  .3  .66
Mg3      0    .5     0  .7  .66
Si1  .2107 .2107     0 .75  .56
Al1  .2107 .2107     0 .25  .56
O1   .1797 .3647     0     1.48
O2   .1445 .1445 .1529      .92
O3       0    .5   .25     1.50
Cl       0     0    .5     2.34
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Alinite
 
Ilinets A M, Bikbau M Y, Nudelman B I, Bolotina N B
 
Kristallografiya 34 (1989) 71-77
The peculiarities of the atomic-structure of alinite and jasmundite
Note: Cu, Ni-bearing material
_database_code_amcsd 0020213
10.461 10.461 10.583 90 90 90 I4/mmm
atom     x     y     z occ Biso
Ca1      0 .2615 .2910     1.49
Ca2      0     0     0      .71
Ca3      0    .5     0 .36  .71
Mg3      0    .5     0 .64  .71
Si1  .2107 .2107     0 .75  .57
Al1  .2107 .2107     0 .25  .57
O1   .1796 .3647     0     1.47
O2   .1443 .1443 .1537      .92
O3       0    .5   .25     1.47
Cl       0     0    .5     2.33
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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