American Mineralogist Crystal Structure Database

40 matching records for this search.

Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, P = .001 kbar, crystal 1
_database_code_amcsd 0002202
5.486 9.506 10.818 90 99.67 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0221
Fe1      0     0    .5     .0110
Fe2      0 .3323    .5     .0099
Si   .0797 .1666 .2384 .76 .0111
Fe   .0797 .1666 .2384 .23 .0111
Al   .0797 .1666 .2384 .01 .0111
O1   .0588     0 .1836      .029
O2   .3117 .2496 .1824      .029
O3   .1325 .1664 .3958     .0123
O4   .1322    .5 .4018      .012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, P = 39.4 kbar, crystal 1
_database_code_amcsd 0002203
5.444 9.439 10.185 90 100.2 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0165
Fe1      0     0    .5      .010
Fe2      0 .3327    .5     .0099
Si   .0753 .1666 .2252 .76 .0121
Fe   .0753 .1666 .2252 .23 .0121
Al   .0753 .1666 .2252 .01 .0121
O1    .061     0  .173      .034
O2    .306  .249  .169      .030
O3    .131  .167  .394      .015
O4    .131    .5  .392      .010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, crystal 2
_database_code_amcsd 0002204
5.480 9.498 10.820 90 99.76 90 C2/m
atom     x      y      z occ  Uiso
Cs       0     .5      0 .89 .0209
Fe1      0      0     .5     .0088
Fe2      0 .33192     .5     .0090
Si   .0796 .16662 .23820 .76 .0099
Fe   .0796 .16662 .23820 .23 .0099
Al   .0796 .16662 .23820 .01 .0099
O1   .0610      0  .1838     .0272
O2   .3119  .2501  .1844     .0287
O3   .1326  .1662  .3962     .0118
O4   .1325     .5  .4015     .0115
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 296 deg C, crystal 2
_database_code_amcsd 0002205
5.480 9.500 10.907 90 99.60 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0410
Fe1      0     0    .5     .0195
Fe2      0 .3319    .5     .0202
Si   .0793 .1662 .2393 .76 .0184
Fe   .0793 .1662 .2393 .23 .0184
Al   .0793 .1662 .2393 .01 .0184
O1   .0615     0 .1849      .042
O2   .3146 .2503 .1864      .041
O3   .1325 .1667 .3965      .021
O4   .1325    .5 .4008      .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 435 deg C, crystal 2
_database_code_amcsd 0002206
5.476 9.502 10.954 90 99.54 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0495
Fe1      0     0    .5     .0251
Fe2      0 .3326    .5     .0249
Si   .0793 .1667 .2398 .76 .0229
Fe   .0793 .1667 .2398 .23 .0229
Al   .0793 .1667 .2398 .01 .0229
O1   .0633     0 .1870      .052
O2   .3128 .2512 .1865      .047
O3   .1303 .1672 .3961      .024
O4   .1348    .5 .4016      .030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetra-ferri-annite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C after heating, crystal 2
_database_code_amcsd 0002207
5.452 9.448 10.786 90 99.77 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0243
Fe1      0     0    .5     .0148
Fe2      0 .3393    .5     .0151
Si   .0797 .1677 .2367 .76 .0142
Fe   .0797 .1677 .2367 .23 .0142
Al   .0797 .1677 .2367 .01 .0142
O1   .0588     0 .1843      .032
O2   .3130 .2483 .1812     .0324
O3   .1337 .1719 .3961     .0161
O4   .1373    .5 .4059     .0166
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, P = .001 kbar, crystal 1
_database_code_amcsd 0002208
5.486 9.506 10.818 90 99.67 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0221
Fe1      0     0    .5     .0110
Fe2      0 .3323    .5     .0099
Si   .0797 .1666 .2384 .76 .0111
Fe   .0797 .1666 .2384 .23 .0111
Al   .0797 .1666 .2384 .01 .0111
O1   .0588     0 .1836      .029
O2   .3117 .2496 .1824      .029
O3   .1325 .1664 .3958     .0123
O4   .1322    .5 .4018      .012
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, P = 39.4 kbar, crystal 1
_database_code_amcsd 0002209
5.444 9.439 10.185 90 100.2 90 C2/m
atom     x     y     z occ Uiso
Cs       0    .5     0 .89 .0165
Fe1      0     0    .5      .010
Fe2      0 .3327    .5     .0099
Si   .0753 .1666 .2252 .76 .0121
Fe   .0753 .1666 .2252 .23 .0121
Al   .0753 .1666 .2252 .01 .0121
O1    .061     0  .173      .034
O2    .306  .249  .169      .030
O3    .131  .167  .394      .015
O4    .131    .5  .392      .010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C, crystal 2
_database_code_amcsd 0002210
5.480 9.498 10.820 90 99.76 90 C2/m
atom     x      y      z occ  Uiso
Cs       0     .5      0 .89 .0209
Fe1      0      0     .5     .0088
Fe2      0 .33192     .5     .0090
Si   .0796 .16662 .23820 .76 .0099
Fe   .0796 .16662 .23820 .23 .0099
Al   .0796 .16662 .23820 .01 .0099
O1   .0610      0  .1838     .0272
O2   .3119  .2501  .1844     .0287
O3   .1326  .1662  .3962     .0118
O4   .1325     .5  .4015     .0115
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 296 deg C, crystal 2
_database_code_amcsd 0002211
5.480 9.500 10.907 90 99.60 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0410
Fe1      0     0    .5     .0195
Fe2      0 .3319    .5     .0202
Si   .0793 .1662 .2393 .76 .0184
Fe   .0793 .1662 .2393 .23 .0184
Al   .0793 .1662 .2393 .01 .0184
O1   .0615     0 .1849      .042
O2   .3146 .2503 .1864      .041
O3   .1325 .1667 .3965      .021
O4   .1325    .5 .4008      .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 435 deg C, crystal 2
_database_code_amcsd 0002212
5.476 9.502 10.954 90 99.54 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0495
Fe1      0     0    .5     .0251
Fe2      0 .3326    .5     .0249
Si   .0793 .1667 .2398 .76 .0229
Fe   .0793 .1667 .2398 .23 .0229
Al   .0793 .1667 .2398 .01 .0229
O1   .0633     0 .1870      .052
O2   .3128 .2512 .1865      .047
O3   .1303 .1672 .3961      .024
O4   .1348    .5 .4016      .030
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tetraferriannite
 
Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
Download am/vol84/AM84_325.pdf
American Mineralogist 84 (1999) 325-332
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
potential nuclear waste disposal phase
T = 23 deg C after heating, crystal 2
_database_code_amcsd 0002213
5.452 9.448 10.786 90 99.77 90 C2/m
atom     x     y     z occ  Uiso
Cs       0    .5     0 .89 .0243
Fe1      0     0    .5     .0148
Fe2      0 .3393    .5     .0151
Si   .0797 .1677 .2367 .76 .0142
Fe   .0797 .1677 .2367 .23 .0142
Al   .0797 .1677 .2367 .01 .0142
O1   .0588     0 .1843      .032
O2   .3130 .2483 .1812     .0324
O3   .1337 .1719 .3961     .0161
O4   .1373    .5 .4059     .0166
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Troilite
Download hom/troilite.pdf
Skala R, Cisarova I, Drabek M
Download am/vol91/AM91_917.pdf
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Etter
_database_code_amcsd 0004158
5.9650 5.9650 11.7570 90 90 120 P-62c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .3791  .0549 .12303 .0152  .0183  .0155  .0130  .0093 -.0003 -.0009
S1       0      0      0 .0136  .0115  .0115  .0178 .00575      0      0
S2     1/3    2/3  .0198 .0125  .0114  .0114  .0147  .0057      0      0
S3   .6653 -.0035    .25 .0130  .0129  .0110  .0149  .0059      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Troilite
Download hom/troilite.pdf
Skala R, Cisarova I, Drabek M
Download am/vol91/AM91_917.pdf
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Georgetown
_database_code_amcsd 0004159
5.9650 5.9650 11.7590 90 90 120 P-62c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .3788  .0548 .12311 .0145  .0177  .0153  .0119  .0093 -.0004 -.0009
S1       0      0      0 .0125  .0101  .0101  .0175 .00505      0      0
S2     1/3    2/3  .0200 .0112  .0099  .0099  .0138 .00495      0      0
S3   .6652 -.0033    .25 .0118  .0120  .0110  .0127  .0059      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Troilite
Download hom/troilite.pdf
Skala R, Cisarova I, Drabek M
Download am/vol91/AM91_917.pdf
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Synthetic
_database_code_amcsd 0004160
5.9660 5.9660 11.7650 90 90 120 P-62c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .3786  .0546 .12302 .0180  .0215  .0182  .0154  .0108 -.0006 -.0013
S1       0      0      0 .0172  .0161  .0161  .0194 .00805      0      0
S2     1/3    2/3  .0198 .0149  .0146  .0146  .0157 .00785      0      0
S3   .6656 -.0029    .25 .0150  .0141  .0144  .0172  .0075      0      0
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
CsAlSiO4
 
Gatta G D, Rotiroti N, Zanazzi P F, Rieder M, Drabek M, Weiss Z, Klaska R
Download am/vol93/AM93_988.pdf
American Mineralogist 93 (2008) 988-995
Synthesis and crystal structure of the feldspathoid CsAlSiO4: An
open-framework silicate and potential nuclear waste disposal phase
Locality: Synthetic
_database_code_amcsd 0004598
9.414 5.435 8.875 90 90 90 Pc2_1n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs   .20052 .50015 .50043 .01591  .0175  .0146  .0157  .0014 .00023 .00001
Si   .08469  .0004 .19052  .0047  .0056  .0034  .0052 -.0021 -.0005  .0018
Al   .41511 -.0036 .31650  .0041  .0047  .0023  .0053  .0006 -.0003 -.0008
O1    .0877 -.0047  .0104  .0161   .032   .013  .0035   .003  .0017   .001
O2    .0024 -.2413  .2502   .011   .015   .012   .007  -.005  -.007   .003
O3    .0040  .2404  .2551   .020   .034   .013   .012  -.003   .008   .003
O4    .2437  .0034  .2536  .0241   .010   .034   .028   .001 -.0056  -.009
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View JMOL 3-D Structure (permalink)
 
Annite-(Cs)
 
Drabek M, Rieder M, Viti C, Weiss Z, Fryda J
Download cm/vol36/CM36_755.pdf
The Canadian Mineralogist 36 (1998) 755-761
Hydrothermal synthesis of a Cs ferruginous trioctahedral mica
Sample: Cs-156
_database_code_amcsd 0005541
5.4065 9.3829 10.7993 90 99.637 90 C2/m
atom     x     y     z occ Biso
Cs       0    .5     0     1.51
Fe1      0     0    .5     1.51
Fe2      0 .3352    .5     1.51
Si   .0823 .1694 .2405 .75 1.51
Al   .0823 .1694 .2405 .25 1.51
O1   .0687     0 .1831     1.51
O2   .3286 .2416 .1738     1.51
O3   .1361 .1662 .3921     1.51
O4   .1204    .5 .3743     1.51
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View JMOL 3-D Structure (permalink)
 
Vavrinite
 
Laufek F, Drabek M, Skala R, Haloda J, Taborsky Z, Cisarova I
Download cm/vol45/CM45_1213.pdf
The Canadian Mineralogist 45 (2007) 1213-1219
Vavrinite, Ni2SbTe2, a new mineral species from the Kunratice Cu-Ni sulfide
deposit, Czech Republic
Locality: synthetic
_database_code_amcsd 0006154
3.9090 3.9090 15.6820 90 90 120 P6_3/mmc
atom   x   y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni     0   0  .1657  .012   .011   .011   .015  .0039      0      0
Sb   1/3 2/3    .25 .0082   .006   .006   .012  .0031      0      0
Te   1/3 2/3 .58704 .0086   .007   .007   .010  .0055      0      0
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View JMOL 3-D Structure (permalink)
 
Pasavaite
Download hom/pasavaite.pdf
Vymazalova A, Laufek F, Drabek M, Haloda J, Sidorinova T
Download cm/vol47/CM47_53.pdf
The Canadian Mineralogist 47 (2009) 53-62
Pasavaite, Pd3Pb2Te2, a new platinum-group mineral species from
the Noril'sk-Talnakh Ni-Cu Camp, Russia
Locality: synthetic
_database_code_amcsd 0006274
8.599 5.9381 6.3173 90 90 90 *Pmmn
-.25 -.25 0
atom     x   y     z Biso
Pb1    .25 .75 .8069  .64
Pb2    .25 .25 .2571  .70
Te   .9558 .25 .6656  .49
Pd1    .25 .25 .7826  .78
Pd2      0   0     0  .65
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View JMOL 3-D Structure (permalink)
 
Jacutingaite
 
Vymazalova A, Laufek F, Drabek M, Cabral A R, Haloda J, Sidorinova T,
Lehmann B, Galbiatti H F, Drahokoupil J
 
The Canadian Mineralogist 50 (2012) 431-440
Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from
the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
_database_code_amcsd 0019200
7.3477 7.3477 5.2955 90 90 90 P-3m1
atom     x     y     z Biso
Pt1      0     0     0  .44
Pt2     .5     0     0  .44
Hg     1/3   2/3 .3507  .29
Se   .8196 .1804 .2492  .63
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Zaccariniite
 
Vymazalova A, Laufek F, Drabek M, Stanley C J, Baker R J, Bermejo R, Garuti G,
Thalhammer O, Proenza J A, Longo F
 
The Canadian Mineralogist 50 (2012) 1321-1329
Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic
Locality: synthetic
_database_code_amcsd 0019702
3.5498 3.5498 6.1573 90 90 90 *P4/nmm
.25 -.25 0
atom   x   y     z Biso
Ni   .75 .25     0  .47
Rh   .25 .25 .3604  .25
As   .25 .25 .7508  .21
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View JMOL 3-D Structure (permalink)
 
Ishiharaite
 
Marquez-Zavalia M F, Galliski M A, Drabek M, Vymazalova A, Watanabe Y, Murakami H, Bernhardt H J
 
The Canadian Mineralogist 52 (2015) 969-980
Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina
Locality: Capillitas mine, Argentina
_database_code_amcsd 0020262
5.368 5.368 5.368 90 90 90 F-43m
atom   x   y   z occ
Cu     0   0   0 .55
Ga     0   0   0 .19
Fe     0   0   0 .13
In     0   0   0 .08
Zn     0   0   0 .08
S    .25 .25 .25
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View JMOL 3-D Structure (permalink)
 
Ferriannite-(Cs)
 
Mellini M, Weiss Z, Rieder M, Drabek M
 
European Journal of Mineralogy 8 (1996) 1265-1271
Cs-ferriannite as a possible host for waste cesium: crystal
structure and synthesis
_database_code_amcsd 0006633
5.487 9.506 10.826 90 99.83 90 C2/m
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs       0    .5     0 .968  .0217  .0205  .0185      0  .0023      0
FeM1     0     0    .5 .984  .0067  .0048  .0128      0  .0025      0
FeM2     0 .3322    .5 .982  .0068  .0048  .0131      0  .0012      0
SiT  .0794 .1666 .2382 .781  .0091  .0082  .0109 -.0002  .0020  .0009
FeT  .0794 .1666 .2382 .219  .0091  .0082  .0109 -.0002  .0020  .0009
O1   .0595     0 .1833        .042   .032   .028      0  .0002      0
O2   .3120 .2495 .1847        .037   .042   .025  -.001   .006  -.006
O3   .1340 .1667 .3971        .009   .008   .013  -.000   .002   .000
O4   .1327    .5 .4009        .010   .007   .017      0   .001      0
H     .089    .5  .314
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = .0001 GPa, data collected in air
_database_code_amcsd 0008757
5.476 9.493 10.514 90 99.95 90 C2/m
atom     x      y      z   occ  Uiso
Rb       0     .5      0   .99 .0317
FeM1     0      0     .5       .0121
FeM2     0 .33215     .5       .0126
FeT  .0766  .1665 .22948 .2675 .0139
SiT  .0766  .1665 .22948   .74 .0139
O1    .047      0  .1736       .0446
O2   .3139  .2443  .1740       .0445
O3   .1308  .1665  .3931       .0138
OH   .1322     .5  .3988       .0158
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = .0001 GPa, data collected at room conditions in the DAC
_database_code_amcsd 0008758
5.478 9.489 10.521 90 99.95 90 C2/m
atom     x     y     z   occ  Uiso
Rb       0    .5     0   .99  .021
FeM1     0     0    .5        .011
FeM2     0 .3321    .5       .0115
FeT  .0761 .1665 .2291 .2675 .0152
SiT  .0761 .1665 .2291   .74 .0152
O1    .040     0  .172        .040
O2    .316  .243  .173        .037
O3    .131  .167  .391        .013
OH    .133    .5  .410        .014
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = 1.76 GPa
_database_code_amcsd 0008759
5.442 9.435 10.185 90 100.3 90 C2/m
atom     x     y     z   occ  Uiso
Rb       0    .5     0   .99  .024
FeM1     0     0    .5       .0096
FeM2     0 .3328    .5       .0102
FeT  .0742 .1664  .223 .2675 .0132
SiT  .0742 .1664  .223   .74 .0132
O1    .033     0  .167        .040
O2    .317  .240  .165        .048
O3    .133 .1666  .401        .011
OH    .135    .5  .395        .018
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = 2.81 GPa
_database_code_amcsd 0008760
5.412 9.392 10.120 90 100.2 90 C2/m
atom    x     y    z   occ Uiso
Rb      0    .5    0   .99 .085
FeM1    0     0   .5       .006
FeM2    0 .3328   .5       .006
FeT  .075 .1661 .222 .2675 .018
SiT  .075 .1661 .222   .74 .018
O1   .021     0 .174       .063
O2   .318  .236 .152       .066
O3   .130  .164 .389       .011
OH   .122    .5 .360       .002
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = 4.75 GPa
_database_code_amcsd 0008761
5.420 9.383 9.846 90 100.8 90 C2/m
atom    x     y    z   occ Uiso
Rb      0    .5    0   .99 .153
FeM1    0     0   .5       .011
FeM2    0 .3327   .5       .011
FeT  .076 .1663 .227 .2675 .022
SiT  .076 .1663 .227   .74 .022
O1    .11     0  .18       .149
O2   .273  .263 .155       .064
O3   .144  .158 .417       .033
OH   .127    .5 .366       .000
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Mica
 
Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
 
Physics and Chemistry of Minerals 30 (2003) 198-205
Pressure-induced phase transition in synthetic trioctahedral Rb-mica
Sample: P = 7.2 GPa
_database_code_amcsd 0008762
5.410 9.325 9.645 90 100.7 90 C2/m
atom    x    y    z   occ Uiso
Rb      0   .5    0   .99 .146
FeM1    0    0   .5       .015
FeM2    0 .334   .5       .012
FeT  .068 .167 .211 .2675 .027
SiT  .068 .167 .211   .74 .027
O1    .09    0  .17       .096
O2   .276 .271  .16       .076
O3   .129 .164  .39       .014
OH   .131   .5 .372       .000
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Na4[UO2(CO3)3]
 
Cisarova I, Skala R, Ondrus P, Drabek M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=57&spage=32
Acta Crystallographica E57 (2001) i32-i34
Trigonal Na4[UO2(CO3)3]
Note: synthetic polymorph of cejkaite
_database_code_amcsd 0010356
9.3380 9.3380 12.8170 90 90 120 P-3c1
atom      x     y       z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1       0     0       0  .0221   .021   .021   .024   .010      0      0
Na2       0     0     .25  .0229   .025   .023   .020   .012      0      0
Na3  -.1233 .5688  .12367  .0295  .0174  .0182  .0522  .0085 -.0029  .0014
U       1/3   2/3 .130224 .01212  .0117   .011  .0136   .005      0      0
C     .0741 .3279   .1280  .0171   .014   .014   .021  .0051  .0039  .0022
O11   .0462 .4509   .1186  .0274  .0211  .0138   .048  .0092  .0001  .0017
O12   .2299 .3771   .1436  .0283  .0125  .0139   .057  .0058  .0012  .0022
O13  -.0358 .1805   .1219  .0235  .0149  .0122   .040  .0042  .0005 -.0015
O1      1/3   2/3   .2714  .0228   .023   .025   .022   .012      0      0
O2      1/3   2/3  -.0110  .0214   .026   .024   .013   .012      0      0
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Marcasite
Download hom/marcasite.pdf
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
 
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: synthetic
Sample: As-free marcasite
_database_code_amcsd 0012726
4.4446 5.4246 3.3864 90 90 90 Pnnm
atom     x     y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe       0     0 0  .0211  .0139  .0366      0      0      0
S    .2004 .3787 0  .0180  .0111  .0348      0      0      0
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Marcasite
Download hom/marcasite.pdf
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
 
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: Dul CSA mine, North Bohemian Basin, Czech Republic
Sample: Natural As-marcasite
_database_code_amcsd 0012727
4.449 5.432 3.391 90 90 90 Pnnm
atom    x    y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe      0    0 0      .0315  .0186  .0434      0      0      0
S    .202 .380 0  .8  .0214  .0160  .0413      0      0      0
As   .202 .380 0  .2  .0214  .0160  .0413      0      0      0
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Pyrite
Download hom/pyrite.pdf
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
 
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: synthetic
Sample: As-free pyrite
_database_code_amcsd 0012728
5.416 5.416 5.416 90 90 90 Pa3
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe        0      0      0    .70    .70    .70    .00      0      0
S    .38488 .38488 .38488    .78    .78    .70    .00      0      0
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Pyrite
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Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
 
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: synthetic
Sample: As-pyrite
_database_code_amcsd 0012729
5.428 5.428 5.428 90 90 90 Pa3
atom      x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe        0      0      0         .77    .77    .77    .01      0      0
S     .3848  .3848  .3848 .987    .82    .82    .82   -.01      0      0
As    .3848  .3848  .3848 .013    .82    .82    .82   -.01      0      0
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Pyrite
Download hom/pyrite.pdf
Rieder M, Crelling J C, Sustai O, Drabek M, Weiss Z, Klementova M
 
International Journal of Coal Geology 71 (2007) 115-121
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin,
Czech Republic
Locality: Dul CSA mine, North Bohemian Basin, Czech Republic
Sample: natural As-pyrite
_database_code_amcsd 0012730
5.429 5.429 5.429 90 90 90 Pa3
atom    x    y    z occ Biso
Fe      0    0    0     1.99
S    .385 .385 .385 .73  .97
As   .385 .385 .385 .27  .97
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Calcite
Download hom/calcite.pdf
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I,
Skala R, Sejkora J, Drabek M
 
Journal of the Czech Geological Society 48 (2003) 19-147
Primary minerals of the Jachymov ore district
Locality:  Jachymov, Bohemia, Czech Republic
_database_code_amcsd 0017593
4.9844 4.9844 17.0376 90 90 120 R-3c
atom     x y   z Biso
Ca       0 0   0 2.72
C        0 0 .25  2.7
O    .2596 0 .25 3.57
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Nickelite
 
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I,
Skala R, Sejkora J, Drabek M
 
Journal of the Czech Geological Society 48 (2003) 19-147
Primary minerals of the Jachymov ore district
Sample MP511
Locality:  Jachymov, Bohemia, Czech Republic
_database_code_amcsd 0017594
3.6190 3.6190 5.036 90 90 120 P6_3mc
atom   x   y   z  occ
Ni     0   0   0  .97
Co     0   0   0  .01
As   1/3 2/3 .25 1.00
S    1/3 2/3 .25  .02
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Sphalerite
Download hom/sphalerite.pdf
Ondrus P, Veselovsky F, Gabasova A, Hlousek J, Srein V, Vavrnn I,
Skala R, Sejkora J, Drabek M
 
Journal of the Czech Geological Society 48 (2003) 19-147
Primary minerals of the Jachymov ore district
Sample J1215P
Locality:  Jachymov, Bohemia, Czech Republic
_database_code_amcsd 0017595
5.4174 5.4174 5.4174 90 90 90 F-43m
atom   x   y   z  occ
Zn     0   0   0  .90
Fe     0   0   0  .11
S    .25 .25 .25  .99
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Nickelphosphide
Download hom/nickelphosphide.pdf
Skala R, Drabek M
Download mm/vol67/MM67_783.pdf
Mineralogical Magazine 67 (2003) 783-792
Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
refinement of synthetic analogue
Locality: synthetic
Sample: P-44
_database_code_amcsd 0014567
9.0127 9.0127 4.4473 90 90 90 I-4
atom      x     y    z occ Biso
NiMe2 .3659 .0302 .974 .67   .9
FeMe2 .3659 .0302 .974 .33   .9
NiMe3 .1677 .2206 .749       .5
FeMe1 .0795 .1081 .236      2.3
P     .2873 .0482 .480      1.6
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Nickelphosphide
Download hom/nickelphosphide.pdf
Skala R, Drabek M
Download mm/vol67/MM67_783.pdf
Mineralogical Magazine 67 (2003) 783-792
Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
refinement of synthetic analogue
Locality: synthetic
Sample: P-33/3
_database_code_amcsd 0014568
8.9499 8.9499 4.3850 90 90 90 I-4
atom      x     y    z Biso
NiMe1 .0783 .1132 .248   .6
NiMe2 .3651 .0310 .972   .1
NiMe3 .1677 .2201 .750   .7
P     .2869 .0458 .480  1.6
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