|
Birnessite |
 |
Lanson B, Drits V A, Feng Q, Manceau A |
 |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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: Füzerradvany, 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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aluminoceladonite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aluminoceladonite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Celadonite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Celadonite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Celadonite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Glauconite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glauconite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Glauconite |
|
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Illite |
| |
Drits V A, Zviagina B B, McCarty D K, Salyn A L |
| |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dolomite |
|
Drits V A, McCarty D K, Sakharov B, Milliken K L |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nontronite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nontronite |
|
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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|
| |
|
Dickite |
|
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 |
|
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 |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tochilinite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cymrite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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