American Mineralogist Crystal Structure Database

6 matching records for this search.

Fayalite
Download hom/fayalite.pdf
Lottermoser W, Steiner K, Grodzicki M, Jiang K, Scharfetter G, Bats J W,
Redhammer G J, Treutmann W, Hosoya S, Amthauer G
 
Physics and Chemistry of Minerals 29 (2002) 112-121
The electric field gradient in synthetic fayalite alpha-Fe2SiO4
at moderate temperatures
Sample: T = 153 K
_database_code_amcsd 0008631
10.4597 6.0818 4.8150 90 90 90 Pnma
atom       x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1        0      0      0 .0042  .0053  .0035  .0038 -.0008  .0001 -.0003
Fe2   .28003    .25 .98599 .0040  .0039  .0032  .0050      0  .0000      0
Si    .09745    .25 .43085 .0035  .0038  .0031  .0037      0  .0002      0
O1    .09174    .25 .76800 .0051  .0060  .0050  .0042      0  .0003      0
O2   -.04688    .25 .29110 .0049  .0040  .0050  .0057      0 -.0001      0
O3    .16580 .03601 .28842 .0053  .0062  .0039  .0059  .0010  .0002 -.0004
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H12 Mg O9 S
 
Bats J, Fuess H, Elerman Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=552
Acta Crystallographica B42 (1986) 552-557
Deformation density in magnesium sulfite hexahydrate.
_cod_database_code 1100081
_database_code_amcsd 0018256
5.911 5.911 5.911 96.25 96.25 96.25 R3
atom       x       y       z
Mg1        0       0       0
S1   -.50281 -.50281 -.50281
O1   -.25489 -.48273 -.55929
O2   -.14488 -.32975  .04913
O3     .1232  .31789 -.07641
H1    -.1911  -.3680   .1976
H2    -.2743  -.4036  -.0663
H3     .0588   .4550  -.0246
H4     .2683   .3659  -.1398
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H12 Mg O9 S
 
Bats J, Fuess H, Elerman Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=552
Acta Crystallographica B42 (1986) 552-557
Deformation density in magnesium sulfite hexahydrate.
_cod_database_code 1100082
_database_code_amcsd 0018257
5.911 5.911 5.911 96.25 96.25 96.25 R3
atom       x       y       z
Mg1        0       0       0
S1   -.50313 -.50313 -.50313
O1   -.25462 -.48274 -.55935
O2   -.14493 -.32984  .04902
O3    .12289  .31765 -.07661
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H12 Mg O9 S
 
Bats J, Fuess H, Elerman Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=552
Acta Crystallographica B42 (1986) 552-557
Deformation density in magnesium sulfite hexahydrate.
_cod_database_code 1100083
_database_code_amcsd 0018258
5.911 5.911 5.911 96.25 96.25 96.25 R3
atom       x       y       z
Mg1        0       0       0
S1   -.50312 -.50312 -.50312
O1   -.25463 -.48277 -.55934
O2   -.14468 -.32982  .04906
O3    .12283  .31762 -.07655
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H12 Mg O9 S2
 
Elerman Y, Bats J, Fuess H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=515
Acta Crystallographica C39 (1983) 515-518
Deformation Density in Complex Anions. IV. Magnesium Thiosulfate
Hexahydrate, Mg S2 O3 * 6H2 O
_cod_database_code 1100078
_database_code_amcsd 0018253
9.324 14.461 6.862 90 90 90 Pnma
atom       x      y       z
Mg1        0      0       0
S1    .04096    .25  .43957
S2    .21649    .25  .61198
O1   -.04314 .16614  .47737
O2    .09119    .25  .23547
O3   -.15483 .08144  .14763
O4    .12792 .11398 -.03015
O5   -.09866 .02623 -.25960
H1    .87919 .11058  .26887
H2    .80934 .13264  .06707
H3    .11983 .16151  .07098
H4    .15472 .14679  .85137
H5    .91993 .07736  .65198
H6    .81742 .99294  .69599
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H12 Mg O9 S2
 
Elerman Y, Bats J, Fuess H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=515
Acta Crystallographica C39 (1983) 515-518
Deformation Density in Complex Anions. IV. Magnesium Thiosulfate
Hexahydrate, Mg S2 O3 * 6H2 O
_cod_database_code 1100079
_database_code_amcsd 0018254
9.324 14.461 6.862 90 90 90 Pnma
atom       x      y       z
Mg1        0      0       0
S1    .04105    .25  .43971
S2    .21639    .25  .61200
O1   -.04325 .16579  .47767
O2    .09132    .25  .23491
O3   -.15484 .08130  .14755
O4    .12791 .11387 -.03032
O5   -.09855 .02614 -.25936
H1     .8770  .1047   .2512
H2     .8129  .1231   .0793
H3     .1278  .1542   .0629
H4     .1521  .1442   .8618
H5     .9166  .0680   .6646
H6     .8352  .9986   .7076
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Total number of retrieved datasets: 6
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