American Mineralogist Crystal Structure Database

31 matching records for this search.

Birnessite
Download hom/birnessite.pdf
Lanson B, Drits V A, Feng Q, Manceau A
Download am/vol87/AM87_1662.pdf
American Mineralogist 87 (2002) 1662-1671
Structure of synthetic Na-rich birnessite: Evidence for a triclinic
one-layer unit cell
_database_code_amcsd 0002932
2.9513 2.9547 7.334 78.72 101.79 122.33 P-1
atom         x      y     z  occ Biso
Mn-layer     0      0     0   .5   .5
O-layer  .3886 -.3733 .1396       1.0
Na-Int    .628   .476  .481 .182  2.0
Wat-Int   .290  -.819  .496 .272  2.0
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View JMOL 3-D Structure (permalink)
 
Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Silver caldera, San Juan Mountains, Colorado
Sample Name: RM30
_database_code_amcsd 0005015
5.2021 8.9797 10.226 90 101.57 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4191 .3280 .2688
O1   .3487 .3100 .1063
O2   .4984    .5 .3131
O3   .6715 .2246 .3350
OH   .4191     0 .1006
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Belgorod, Low Amur, Russia
Sample Name: M422
_database_code_amcsd 0005016
5.1994 8.9815 10.233 90 101.60 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4189 .3279 .2690
O1   .3474 .3086 .1060
O2   .5013    .5 .3123
O3   .6697 .2229 .3350
OH   .4188     0 .0998
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Kaube Mine, Nara Prefecture, Japan
Sample Name: Silver Hill
_database_code_amcsd 0005017
5.208 9.020 10.166 90 101.5 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4191 .3291 .2710
O1   .3516 .3124 .1082
O2   .4881    .5 .3182
O3   .6751 .2299 .3361
OH   .4186     0 .1035
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Ordovician K-bentonite, Vermont
Sample Name: KJMC3
_database_code_amcsd 0005018
5.210 9.020 10.159 90 101.4 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4190 .3292 .2711
O1   .3523 .3135 .1082
O2   .4859    .5 .3184
O3   .6757 .2309 .3359
OH   .4197     0 .1043
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: South Urals, Russia
Sample Name: 60
_database_code_amcsd 0005019
5.235 9.032 10.140 90 101.52 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4198 .3291 .2715
O1   .3544 .3156 .1089
O2   .4750    .5 .3203
O3   .6828 .2374 .3366
OH   .4209     0 .1055
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Fuzerradvany, Hungary
Sample Name: Zempleni
_database_code_amcsd 0005020
5.2042 8.9852 10.205 90 101.49 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4184 .3281 .2692
O1   .3493 .3108 .1066
O2   .4935    .5 .3137
O3   .6722 .2267 .3350
OH   .4198     0 .1013
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Aluminoceladonite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Twin Creek formation, Wyoming
Sample Name: 602-1
_database_code_amcsd 0005021
5.2141 9.0082 10.108 90 101.12 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4182 .3292 .2716
O1   .3544 .3169 .1091
O2   .4777    .5 .3205
O3   .6779 .2348 .3369
OH   .4198     0 .1064
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Aluminoceladonite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Tushlay, Mongolia
Sample Name: 136
_database_code_amcsd 0005022
5.2227 9.0195 10.0767 90 100.82 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4174 .3298 .2725
O1   .3575 .3209 .1104
O2   .4585    .5 .3241
O3   .6850 .2442 .3373
OH   .4194     0 .1090
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Celadonite
Download hom/celadonite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Krivoi Rog mining district, Russia
Sample Name: 69
Note: y-coordinate of O1 altered by communication with authors
_database_code_amcsd 0005023
5.227 9.052 10.153 90 100.53 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4205 .3324 .2738
O1   .3629 .3259 .1129
O2   .4531    .5 .3315
O3   .6912 .2492 .3354
OH   .4062     0 .1114
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Celadonite
Download hom/celadonite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Taiheizan, Akita Prefecture, Japan
Sample Name: TAIH
_database_code_amcsd 0005024
5.227 9.052 10.153 90 100.53 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4209 .3324 .2741
O1   .3616 .3243 .1124
O2   .4709    .5 .3315
O3   .6836 .2406 .3362
OH   .4076     0 .1110
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Celadonite
Download hom/celadonite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Russia
Sample Name: Z1
_database_code_amcsd 0005025
5.2291 9.051 10.144 90 100.59 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4225 .3326 .2737
O1   .3647 .3276 .1129
O2   .4505    .5 .3324
O3   .6956 .2519 .3356
OH   .4085     0 .1129
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Glauconite
Download hom/glauconite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Baltic region, Russia
Sample Name: 68-69
_database_code_amcsd 0005026
5.246 9.076 10.184 90 101.1 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4209 .3314 .2728
O1   .3600 .3214 .1113
O2   .4542    .5 .3278
O3   .6929 .2490 .3352
OH   .4119     0 .1092
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Glauconite
Download hom/glauconite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Ordovician sandstone, Latvia
Sample Name: PILT
_database_code_amcsd 0005027
5.246 9.076 10.184 90 101.1 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4219 .3314 .2729
O1   .3602 .3216 .1113
O2   .4639    .5 .3276
O3   .6899 .2448 .3351
OH   .4122     0 .1091
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Glauconite
Download hom/glauconite.pdf
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Leningrad region, Russia
Sample Name: BAB
_database_code_amcsd 0005028
5.246 9.066 10.182 90 101.2 90 C2/m
atom     x     y     z
K        0    .5    .5
Al      .5 .1667     0
Si   .4221 .3312 .2726
O1   .3585 .3192 .1106
O2   .4731    .5 .3265
O3   .6863 .2402 .3350
OH   .4127     0 .1078
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Illite
 
Drits V A, Zviagina B B, McCarty D K, Salyn A L
Download am/vol95/AM95_348.pdf
American Mineralogist 95 (2010) 348-361
Factors responsible for crystal-chemical variations in the solid solutions
from illite to aluminoceladonite and from glauconite to celadonite
Locality: Athabasca basement; Saskatchewan, Canada
Sample Name: 10564
_database_code_amcsd 0005029
5.1973 8.999 10.147 90 99.00 90 C2
atom     x     y     z
K       .5 .6528    .5
Al1     .5 .1667     0
Al2      0 .3333     0
Si1  .4333 .9921 .2692
Si2  .9185 .8205 .2692
O1   .4152 .9986 .1063
O2   .3432 .3079 .1063
O3   .9958 .6571 .3343
O4   .1585 .9371 .3129
O5   .6696 .8817 .3343
OH   .8408 .1900 .1008
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-116, Phase I
_database_code_amcsd 0006026
4.8140 4.8140 16.0411 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .89
MgB      0      0    .5 .92  .98
CaB      0      0    .5 .08  .98
C        0      0 .2432
O    .2520 -.0324 .2440     1.00
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-116, Phase II
_database_code_amcsd 0006027
4.8274 4.8274 16.1374 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .89
MgB      0      0    .5 .83  .98
CaB      0      0    .5 .17  .98
C        0      0 .2438
O    .2505 -.0338 .2451     1.00
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-098, Phase I
_database_code_amcsd 0006028
4.8141 4.8141 16.0392 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .84
MgB      0      0    .5 .93  .84
CaB      0      0    .5 .07  .84
C        0      0 .2436
O    .2517 -.0327 .2434      .93
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Lea County, New Mexico, USA
Sample: M236-098, Phase II
_database_code_amcsd 0006029
4.8247 4.8247 16.1243 90 90 120 R-3
atom     x      y      z occ Biso
CaA      0      0      0      .84
MgB      0      0     .5 .87  .84
CaB      0      0     .5 .13  .84
C        0      0  .2457
O    .2493 -.03442 .2455      .93
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Coke County, Texas, USA
Sample: 821-545, Phase I
_database_code_amcsd 0006030
4.8114 4.8114 16.025 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .96
MgB      0      0    .5 .93 1.24
CaB      0      0    .5 .07 1.24
C        0      0 .2444
O    .2502 -.0350 .2440     1.10
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Locality: Coke County, Texas, USA
Sample: 821-545, Phase II
_database_code_amcsd 0006031
4.8215 4.8215 16.111 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .96
MgB      0      0    .5 .86 1.25
CaB      0      0    .5 .14 1.25
C        0      0 .2426
O    .2514 -.0305 .2444     1.10
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Dolomite
Download hom/dolomite.pdf
Drits V A, McCarty D K, Sakharov B, Milliken K L
Download cm/vol43/CM43_1255.pdf
The Canadian Mineralogist 43 (2005) 1255-1290
New insight into structural and compositional
variability in some ancient excess-Ca dolomite
Sample: "Ankerite"
_database_code_amcsd 0006032
4.8170 4.8170 16.0794 90 90 120 R-3
atom     x      y     z occ Biso
CaA      0      0     0      .89
MgB      0      0    .5 .67  .90
FeB      0      0    .5 .33  .90
C        0      0 .2430
O    .2502 -.0329 .2442      .94
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Nontronite
Download hom/nontronite.pdf
Dainyak L G, Zviagina B B, Rusakov V S, Drits V A
 
European Journal of Mineralogy 18 (2006) 753-764
Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations
Locality: Garfield, Washington, USA
Sample: tv structure
_database_code_amcsd 0007180
5.277 9.140 9.780 90 101.0 90 C2/m
atom     x     y     z
FeM     .5 .1667     0
SiT  .3101 .3291 .2841
O1   .3094 .3122 .1148
O2   .3094    .5 .3293
O3   .0593   .75  .348
OH   .3741     0 .1075
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Nontronite
Download hom/nontronite.pdf
Dainyak L G, Zviagina B B, Rusakov V S, Drits V A
 
European Journal of Mineralogy 18 (2006) 753-764
Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations
Locality: Garfield, Washington, USA
Sample: Model 2
_database_code_amcsd 0007181
5.277 9.140 9.60 90 90 90 P1
atom      x     y      z  occ
Na1    .845  .155    .37 .205
Na2    .345  .655    .37 .205
Na3    .155  .155   -.37 .205
Na4    .655  .655    .63 .205
FeM11     0   2/3      0
FeM12    .5   1/6      0
FeM21     0   1/3      0
FeM22    .5   5/6      0
SiT11  .351 -.009   .284
SiT12  .851  .491   .284
SiT21  .338   .32   .284
SiT22  .838   .82   .284
SiT31  .649 -.009  -.284
SiT32  .149  .491  -.284
SiT41  .662   .32  -.284
SiT42  .162   .82  -.284
O11    .380 -.001   .105
O12    .880  .499   .105
O21    .317  .311   .105
O22    .817  .811   .105
O31    .620 -.001  -.105
O32    .120  .499  -.105
O41    .683  .311  -.105
O42    .183  .811  -.105
OR1   .3165  .687  .0975  .01
OR2    .183  .187 -.0975  .01
O51    .096  .905   .329
O52    .596  .405   .329
O61    .846  .655   .348
O62    .346  .155   .348
O71    .595  .905   .348
O72    .095  .405   .348
O81    .904  .905  -.329
O82    .404  .405  -.329
O91    .154  .655  -.348
O92    .654  .155  -.348
O101   .405  .905  -.348
O102   .905  .405  -.348
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Celadonite
Download hom/celadonite.pdf
Tsipurskij S I, Drits V A
 
Mineralogiceskij Zhurnal 8 (1986) 32-40
Refining the crystallographic structure of celadonite
_database_code_amcsd 0019223
5.223 9.047 10.197 90 100.43 90 C2
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5      0     .5      .0537  .0509  .0458      0  .0054      0
FeM1     .5 .16614      0 .87  .0478  .0116  .0482      0  .0087      0
MgM1     .5 .16614      0 .13  .0478  .0116  .0482      0  .0087      0
MgM2     .5 .83228      0 .65  .0306  .0103  .0612      0  .0231      0
FeM2     .5 .83228      0 .35  .0306  .0103  .0612      0  .0231      0
Si1  .41432 .33287 .27331      .0563  .0483  .0485 -.0002  .0214  .0121
Si2  .41281 .66758 .27267      .0628  .0287  .0488  .0059  .0193  .0071
O1   .18659 .25098 .33323      .0838  .0493  .0298  .0039  .0193  .0187
O2   .44305 .50052 .33074      .0530  .0424  .0606 -.0029  .0101  .0047
O3   .68887 .25503 .33407      .0576  .0451  .0637  .0004  .0238 -.0039
O4   .39645 .00156 .11257      .0463  .0713  .0516  .0061  .0186  .0192
O5   .37812 .33172 .11294      .0710  .0485  .0488  .0027  .0235  .0095
O6   .85604 .17902 .11419      .0699  .0445  .0490  .0090  .0130  .0026
H      .247   .002   .093
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Dickite
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Joswig W, Drits V A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 19-22
The orientation of the hydroxyl groups in dickite by X-ray diffraction
Locality: Kilantyubinsk mine, USSR
Note: z-coordinate of Si1 altered to reproduce reported bond lengths
_database_code_amcsd 0014797
5.1375 8.9178 14.389 90 96.74 90 Cc
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .0123 .40160  .0407       .0070  .0077  .0055  .0002  .0007  .0003
Si2  -.0013 .07296 .04013       .0081  .0082  .0053  .0000  .0005  .0002
Al1  -.0854 .25257 .23162       .0085  .0082  .0079  .0009  .0008  .0005
Al2   .4193  .4176 .23092       .0085  .0078  .0069  .0005  .0008  .0000
O1   -.0425  .2381 -.0062       .0133  .0076  .0079 -.0009  .0006 -.0005
O2    .2564  .4720 -.0064       .0108  .0126  .0092 -.0026  .0027 -.0016
O3   -.2355  .5069  .0070       .0099  .0120  .0116  .0031  .0028  .0034
O4    .0786  .3909  .1520       .0083  .0108  .0067 -.0011  .0004 -.0003
O5    .0053  .0817  .1516       .0136  .0078  .0055 -.0001  .0020 -.0006
O6    .5834  .2757  .1568       .0104  .0103  .0103  .0015 -.0010 -.0024
O7    .2446  .2770  .2955       .0110  .0134  .0074 -.0017 -.0013  .0024
O8    .2487  .8942  .2979       .0121  .0108  .0103  .0019  .0000 -.0042
O9    .3227  .5842  .2953       .0153  .0098  .0074  .0006  .0034  .0011
H1     .522   .200   .157 .012
H2     .294   .267   .349 .011
H3     .283   .951   .346 .043
H4     .289   .569   .348 .000
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Tochilinite
Download hom/tochilinite.pdf
Organova N I, Drits V A, Dmitrik A L
 
Soviet Physics Crystallography 17 (1973) 667-671
Structural study of tochilinite. Part I. The isometric variety
Note: M-site reported bond lengths are inconsistent with reported structure
_database_code_amcsd 0015560
5.37 15.65 10.72 90 95 90 C1
atom     x     y     z occ
Fe1      0     0     0
Fe2  .0117 .1656     0
Fe3  .4801 .1647     0
Fe4  .4864     0     0
Fe5  .5117 .3344     0
Fe6  .9801 .3353     0
MgM1 .1701 .1001    .5 .71
FeM1 .1701 .1001    .5 .29
MgM2 .6617     0    .5 .71
FeM2 .6617     0    .5 .29
MgM3  .658 .1985    .5 .71
FeM3  .658 .1985    .5 .29
MgM4 .6701 .3999    .5 .71
FeM4 .6701 .3999    .5 .29
MgM5  .158 .3015    .5 .71
FeM5  .158 .3015    .5 .29
S1    .260  .088  .129
S2    .741  .080 -.129
S3    .237  .243 -.129
S4    .737  .257  .129
S5    .241  .420  .129
S6    .760  .412 -.129
OH1   .027     0  .598
OH2   .008  .208  .598
OH3   .362     0  .402
OH4   .299  .196  .402
OH5   .466  .095  .598
OH6   .838  .102  .402
OH7   .508  .292  .598
OH8   .996  .405  .598
OH9   .799  .304  .402
OH10  .338  .398  .402
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Sudoite
Download hom/sudoite.pdf
Aleksandrova V A, Drits V A, Sokolova G V
 
Soviet Physics Crystallography 18 (1973) 50-53
Crystal structure of ditrioctahedral chlorite
_database_code_amcsd 0015561
5.225 9.058 28.380 90 93.67 90 C2/c
atom     x    y     z occ
MgM1  .753 .914     0 .84
AlM1  .753 .914     0 .16
MgM2   .75  .25     0 .27
AlM2   .75  .25     0 .73
Al1     .5 .251   .25
Al2     .5 .918   .25
AlT1  .651  .75 .1549 .56
SiT1  .651  .75 .1549 .44
SiT2  .651 .418 .1542
O1    .416 .326 .1298
O2    .587 .580 .1374
O3   -.092 .350 .1334
O4    .672 .412 .2120
O5    .672 .756 .2167
OH1   .435 .264 .0357
OH2   .441 .594 .0404
OH3   .419 .902  .036
OH4   .138 .586 .2159
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Tochilinite
Download hom/tochilinite.pdf
Organova N I, Drits V A, Dmitrik A L
 
Soviet Physics Crystallography 18 (1974) 606-609
Structural study of tochilinite. II. Acicular variety: Unusual diffraction patterns
Note: sulfide layer portion of structure only
Note: corrections to Fe5 from ICSD
_database_code_amcsd 0015564
8.34 8.54 10.74 87.33 94.5 92 P1
atom    x    y     z Biso
Fe1   .29 .092     0   .2
Fe2  .582 .206     0   .2
Fe3  .906 .287     0   .2
Fe4  .226 .411     0   .2
Fe5  .710 .908     0   .2
Fe6  .418 .794     0   .2
Fe7  .094 .713     0   .2
Fe8  .774 .589     0   .2
S1     .5    0  .129   .2
S2   .790 .107 -.129   .2
S3   .093 .201  .129   .2
S4   .386 .307 -.129   .2
S5   .692 .387  .129   .2
S6      0   .5 -.129   .2
S7   .210 .893 -.129   .2
S8   .907 .799  .129   .2
S9   .614 .693 -.129   .2
S10  .308 .611  .129   .2
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Cymrite
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Drits V A, Kashaev A A, Sokolova G V
 
Soviet Physics Crystallography 20 (1975) 171-175
Crystal structure of cymrite
Note: Y(O11) corrected
_database_code_amcsd 0015567
5.33 36.59999 7.67 90 90. 90 P2_1
atom      x      y      z occ
Ba1  -.0249 -.0015  .0083
Ba2   .5267  .1235  .0083
Ba3   .0292  .2485  .0083
Ba4   .5267  .3735 -.0083
Al1    .506  .0416   .280  .5
Si1    .506  .0416   .280  .5
Al2    .510  .0416  -.270  .5
Si2    .510  .0416  -.270  .5
Al3   .0092   .083   .304  .5
Si3   .0092   .083   .304  .5
Al4   .0204   .083  -.265  .5
Si4   .0204   .083  -.265  .5
Al5   .0292   .167   .302  .5
Si5   .0292   .167   .302  .5
Al6   .0283   .167  -.268  .5
Si6   .0283   .167  -.268  .5
Al7    .529   .208   .302  .5
Si7    .529   .208   .302  .5
Al8    .527   .208  -.260  .5
Si8    .527   .208  -.260  .5
Al9    .535   .292   .292  .5
Si9    .535   .292   .292  .5
Al10   .528   .292  -.265  .5
Si10   .528   .292  -.265  .5
Al11  .0308   .333   .302  .5
Si11  .0308   .333   .302  .5
Al12  .0308   .333  -.260  .5
Si12  .0308   .333  -.260  .5
Al13  .0304   .417   .300  .5
Si13  .0304   .417   .300  .5
Al14  .0204   .417  -.265  .5
Si14  .0204   .417  -.265  .5
Al15   .521   .458   .302  .5
Si15   .521   .458   .302  .5
Al16   .521   .458  -.267  .5
Si16   .521   .458  -.267  .5
O1     .516  .0416   .506
O2    .0158  .0835   .522
O3    .0375   .167   .514
O4     .525   .210   .516
O5     .536   .290   .516
O6    .0258   .333   .516
O7    .0204   .416   .520
O8     .510   .458   .516
O9     .474   .000   .194
O10    .544 -.0006  -.222
O11    .294   .072   .218
O12    .218   .050  -.221
O13    .766   .062   .185
O14    .750   .064  -.171
O15  -.0416   .125   .225
O16    .036   .125  -.180
O17    .311   .178   .230
O18    .770   .186  -.180
O19    .811   .196   .230
O20    .270   .189  -.180
O21    .453   .250   .230
O22    .527   .250  -.185
O23    .811   .304   .233
O24    .269   .311  -.174
O25    .324   .324   .240
O26    .770   .314  -.180
O27   -.047   .375   .230
O28    .025   .375  -.184
O29    .307   .431   .226
O30    .770   .436  -.180
O31    .805   .444   .225
O32    .267   .439  -.179
Wat1  -.025  -.002   .387  .5
Wat2   .527   .124   .387  .5
Wat3   .029   .248   .387  .5
Wat4   .527   .374  -.387  .5
Wat5  -.025   .006   .624  .5
Wat6   .527   .131   .624  .5
Wat7   .029   .256   .624  .5
Wat8   .527   .382  -.624  .5
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Total number of retrieved datasets: 31
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