American Mineralogist Crystal Structure Database

3 matching records for this search.

Innelite
Download hom/innelite.pdf
Sokolova E, Camara F, Hawthorne F C
 
Mineralogical Magazine 75 (2011) 2495-2518
From structure topology to chemical composition. XI. Titanium silicates:
crystal structures of innelite-1T and innelite-2M from the Inagli massif,
Yakutia, Russia, and the crystal chemistry of innelite
Locality: Inagli massif, Yakutia, Russia
Note: this is the polytype innelite-1T
_database_code_amcsd 0018495
5.4234 7.131 14.785 98.442 94.579 90.009 P-1
atom      x      y      z occ  Uiso
BaAP  .2887 .41429 .68274 .98 .0209
SrAP  .2887 .41429 .68274 .02 .0209
BaBP .77374 .87957 .60954 .98 .0096
SrBP .77374 .87957 .60954 .02 .0096
TiMH  .6857  .0589  .2005 .98 .0045
NbMH  .6857  .0589  .2005 .01 .0045
AlMH  .6857  .0589  .2005 .01 .0045
TiMO1     0     .5      0     .0232
NaMO2     0      0      0      .015
NaMO3 .4988  .7402  .9993 .58 .0247
MnMO3 .4988  .7402  .9993 .19 .0247
FeMO3 .4988  .7402  .9993 .09 .0247
MgMO3 .4988  .7402  .9993 .07 .0247
CaMO3 .4988  .7402  .9993 .05 .0247
Si1   .8163  .2314  .8097     .0010
Si2   .8173  .6576  .8108     .0028
ST    .7551  .2981  .5231 .51 .0175
PT    .7551  .2981  .5231 .41 .0175
O1     .838  .2712  .9205      .004
O2     .562  .1207  .7673      .007
O3     .054  .1180  .7658      .006
O4     .806  .4313  .7683      .005
O5     .560  .7414  .7690      .004
O6     .055  .7393  .7674      .005
O7     .839  .6804  .9210      .010
O8     .662   .022  .0852      .016
O9     .286   .479  .9240      .026
O10    .986   .197  .5539      .024
O11    .537   .193  .5529      .023
O12    .729   .265  .4140      .044
O13    .770   .497  .5683      .039
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View JMOL 3-D Structure (permalink)
 
Innelite
Download hom/innelite.pdf
Sokolova E, Camara F, Hawthorne F C
 
Mineralogical Magazine 75 (2011) 2495-2518
From structure topology to chemical composition. XI. Titanium silicates:
crystal structures of innelite-1T and innelite-2M from the Inagli massif,
Yakutia, Russia, and the crystal chemistry of innelite
Locality: Inagli massif, Yakutia, Russia
Note: this is the polytype innelite-2M
_database_code_amcsd 0018496
5.4206 7.125 29.314 90 94.698 90 P2/c
atom      x      y      z occ  Uiso
BaAP  .7870 .13514 .09047 .98 .0229
SrAP  .7870 .13514 .09047 .02 .0229
BaBP  .2720 .65559 .05453 .98 .0137
SrBP  .2720 .65559 .05453 .02 .0137
TiMH  .8128  .6470 .14953 .98 .0089
NbMH  .8128  .6470 .14953 .01 .0089
AlMH  .8128  .6470 .14953 .01 .0089
TiMO1    .5  .1543    .25     .0259
NaMO2    .5  .6565    .25      .017
NaMO3     0  .9096    .25 .81  .026
CaMO3     0  .9096    .25  .1  .026
MnMO3     0  .9096    .25 .07  .026
NaMO4     0  .3945    .25 .35  .014
MnMO4     0  .3945    .25 .31  .014
FeMO4     0  .3945    .25 .17  .014
MgMO4     0  .3945    .25 .15  .014
Si1   .3164  .9364 .15620     .0053
Si2   .3146  .3677 .15437     .0098
ST    .2557  .2075 .01132 .51 .0165
PT    .2557  .2075 .01132  .4 .0165
O1     .067   .838  .1355      .013
O2     .563  .8379  .1349      .009
O3     .343   .948  .2118      .012
O4     .304  .1514  .1338      .011
O5     .539  .4627  .1320      .012
O6     .047   .458  .1326      .012
O7     .334  .3664  .2095      .011
O8     .845   .636  .2076      .021
O9     .789   .168  .2136      .038
O10    .271   .025  .0342      .049
O11    .041   .315  .0264      .023
O12    .486   .314  .0260      .020
O13    .763   .794  .0402      .031
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Innelite
Download hom/innelite.pdf
Chernov A N, Ilyukhin V V, Maksimov B A, Belov N V
 
Soviet Physics Crystallography 16 (1971) 65-69
Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2
Locality: Inaglinskii Massif, Southern Yakusk, Russia
_database_code_amcsd 0015554
14.76 7.14 5.38 90 95 99 P1
atom     x     y     z occ
Na1   .681  .423  .270
Na2   .677  .662  .761
NaM   .678  .149  .784 .33
CaM   .678  .149  .784 .16
MgM   .678  .149  .784 .27
FeM   .678  .149  .784  .2
Ba1      0     0     0
Ba2   .299  .293 .0624
Ba3  .0784  .537  .513
Ba4   .302  .842  .575
Ti1   .488  .368  .602
Ti2   .677  .916  .319
Ti3   .889  .480  .976
Si1   .495  .652  .108
Si2   .500 .0791 .0982
Si3   .877  .195  .473
Si4   .875  .760  .474
S1    .204  .705  .045
S2    .164  .122  .528
O1    .452  .858  .106
O2    .610  .895  .606
O3    .919  .295  .233
O4    .447  .542  .845
O5   .0957  .689 .0458
O6    .918  .288  .733
O7    .771  .445  .952
O8    .763  .742  .452
O9    .125  .212  .767
O10   .129  .217  .295
O11   .130  .919  .558
O12   .264  .150  .561
O13   .234  .615  .284
O14   .238  .619  .833
O15   .244  .919 .0721
O16   .917  .675  .233
O17   .919  .686  .741
O18   .599  .407  .605
O19   .451  .172  .867
O20   .453  .148  .348
O21   .450  .538  .333
O22   .915  .994  .495
O23   .767  .127  .444
O24   .600  .114  .127
O25   .607  .683  .108
O26   .752  .919 .0167
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: 3
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