American Mineralogist Crystal Structure Database

5 matching records for this search.

Roedderite
Download hom/roedderite.pdf
Armbruster T
 
European Journal of Mineralogy 1 (1989) 715-718
Crystal chemistry of double-ring silicates:
structure of roedderite at 100 and 300 K
T= 100 K
_database_code_amcsd 0006360
10.139 10.139 14.269 90 90 120 P-62c
atom        x       y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC          0       0      0  .94  .81  .0100  .0100  .0107   .005      0      0
NaB1'     1/3     2/3  .2723  .46 1.03   .007   .007   .024  .0037      0      0
NaB2'     1/3     2/3  .7723  .05 1.03
MgA       1/3     2/3  .5033  .95 .494  .0056  .0056  .0076  .0028      0      0
FeA       1/3     2/3  .5033 .024 .494  .0056  .0056  .0076  .0028      0      0
MnA       1/3     2/3  .5033  .02 .494  .0056  .0056  .0076  .0028      0      0
TiA       1/3     2/3  .5033 .002 .494  .0056  .0056  .0076  .0028      0      0
MgT2    .4962       0      0  .95  .32  .0057  .0021  .0031  .0011      0  .0001
FeT2    .4962       0      0 .024  .32  .0057  .0021  .0031  .0011      0  .0001
MnT2    .4962       0      0  .02  .32  .0057  .0021  .0031  .0011      0  .0001
TiT2    .4962       0      0 .002  .32  .0057  .0021  .0031  .0011      0  .0001
SiT1   .23912   .3546 .64008      .247  .0034  .0038  .0024  .0019  .0004  .0005
SiT11 -.23555 -.35150 .63974       .25
O1      .1438   .3999    .25       .71   .014  .0094  .0033  .0057      0      0
O11    -.1209  -.3916    .25       .71
O2      .2146   .2704  .3867       .63  .0081  .0097  .0088  .0066      0  .0001
O22    -.2240  -.2828  .3807       .63
O3      .1592   .4992  .4203       .46  .0058  .0056  .0059  .0029 -.0007 -.0019
O33    -.1535  -.4966  .4231       .46
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Roedderite
Download hom/roedderite.pdf
Armbruster T
 
European Journal of Mineralogy 1 (1989) 715-718
Crystal chemistry of double-ring silicates:
structure of roedderite at 100 and 300 K
T= 300 K
_database_code_amcsd 0006361
10.141 10.141 14.286 90 90 120 P-62c
atom       x      y      z  occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KC         0      0      0  .94 1.59  .0187  .0187  .0230  .0094      0      0
NaB1'    1/3    2/3  .2713  .46  1.9   .014   .014   .044   .007      0      0
NaB2'    1/3    2/3  .7713  .05  1.9
MgA      1/3    2/3  .5035  .95  .70  .0079  .0079  .0106  .0040      0      0
FeA      1/3    2/3  .5035 .024  .70  .0079  .0079  .0106  .0040      0      0
MnA      1/3    2/3  .5035  .02  .70  .0079  .0079  .0106  .0040      0      0
TiA      1/3    2/3  .5035 .002  .70  .0079  .0079  .0106  .0040      0      0
MgT2   .4969      0      0  .95  .68  .0108  .0049  .0081  .0024  .0002  .0003
FeT2   .4969      0      0 .024  .68  .0108  .0049  .0081  .0024  .0002  .0003
MnT2   .4969      0      0  .02  .68  .0108  .0049  .0081  .0024  .0002  .0003
TiT2   .4969      0      0 .002  .68  .0108  .0049  .0081  .0024  .0002  .0003
SiT1   .2390  .3535 .64031      .436  .0054  .0060  .0056  .0032  .0008  .0009
SiT11 -.2356 -.3513 .63996       .44
O1     .1427  .3994    .25      1.22   .022  .0178  .0058  .0093      0      0
O11   -.1217 -.3916    .25      1.22
O2     .2147  .2713  .3862      1.13  .0138  .0175  .0174  .0122  .0005  .0004
O22   -.2235 -.2819  .3807      1.13
O3     .1588  .4990  .4204       .76  .0085  .0082  .0115  .0036 -.0009 -.0035
O33   -.1534 -.4959  .4229       .76
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View JMOL 3-D Structure (permalink)
 
Roedderite
Download hom/roedderite.pdf
Alietti E, Brigatti M F, Capedri S, Poppi L
Download mm/vol58/MM58_655.pdf
Mineralogical Magazine 58 (1994) 655-662
The roedderite-chayesite series from Spanish lamproites:
crystal chemical characterization
Locality: Cancarix, Albacete province, Spain
_database_code_amcsd 0014510
10.124 10.124 14.305 90 90 120 P6/mcc
atom        x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
KC          0      0    .25 .89 2.10 .006439 .006439 .002859 .003220        0        0
NaC         0      0    .25 .11 2.10 .006439 .006439 .002859 .003220        0        0
NaB       1/3    2/3 -.0202 .11  1.7
MgA       1/3    2/3    .25 .87 1.03 .003090 .003090 .001442 .001561        0        0
Fe3+A     1/3    2/3    .25 .13 1.03 .003090 .003090 .001442 .001561        0        0
MgT2       .5     .5    .25 .87 1.10 .002537 .005594 .001368 .002797        0        0
Fe3+T2     .5     .5    .25 .13 1.10 .002537 .005594 .001368 .002797        0        0
SiT1   .23814 .35274 .39066     0.99 .003057 .003317 .001332 .001724  .000080  .000120
O1      .1299  .3945      0     1.91 .007643 .006277 .001674 .003317        0        0
O2      .2193  .2776 .13327     1.73 .005431 .006374 .002382 .003935 -.000080  .000040
O3      .1550  .4966 .17245     1.34 .004000 .004358 .001771 .002081 -.000159 -.000379
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Roedderite
Download hom/roedderite.pdf
Alietti E, Brigatti M F, Capedri S, Poppi L
Download mm/vol58/MM58_655.pdf
Mineralogical Magazine 58 (1994) 655-662
The roedderite-chayesite series from Spanish lamproites:
crystal chemical characterization
Locality: Cancarix, Albacete province, Spain
_database_code_amcsd 0014513
10.135 10.135 14.320 90 90 120 P6/mcc
atom        x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
KC          0      0    .25 .80 1.64 .005030 .005030 .002194 .002531        0        0
NaC         0      0    .25 .20 1.64 .005030 .005030 .002194 .002531        0        0
NaB       1/3    2/3 -.0188 .10  1.0
MgA       1/3    2/3    .25 .86  .84 .002596 .002596 .001134 .001298        0        0
Fe3+A     1/3    2/3    .25 .14  .84 .002596 .002596 .001134 .001298        0        0
MgT2       .5     .5    .25 .86  .83 .001915 .005062 .000805 .002531        0        0
Fe3+T2     .5     .5    .25 .14  .83 .001915 .005062 .000805 .002531        0        0
SiT1   .23807 .35288 .39065      .80 .002726 .002986 .000878 .001590  .000099  .000139
O1      .1299  .3943      0     1.66 .007302 .005874 .001097 .003245        0        0
O2      .2197  .2777 .13325     1.50 .005062 .005744 .001902 .003602  .000080  .000099
O3      .1552  .4967 .17230     1.10 .003375 .003667 .001341 .001720 -.000159 -.000358
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Roedderite
Download hom/roedderite.pdf
Alietti E, Brigatti M F, Capedri S, Poppi L
Download mm/vol58/MM58_655.pdf
Mineralogical Magazine 58 (1994) 655-662
The roedderite-chayesite series from Spanish lamproites:
crystal chemical characterization
Locality: Cancarix, Albacete province, Spain
_database_code_amcsd 0014514
10.126 10.126 14.326 90 90 120 P6/mcc
atom        x      y      z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
KC          0      0    .25 .80 1.61 .005006 .005006 .002144 .002503        0        0
NaC         0      0    .25 .20 1.61 .005006 .005006 .002144 .002503        0        0
NaB       1/3    2/3 -.0190 .11  1.5
MgA       1/3    2/3    .25 .85 0.76 .002308 .002308 .001035 .001170        0        0
Fe3+A     1/3    2/3    .25 .15 0.76 .002308 .002308 .001035 .001170        0        0
MgT2       .5     .5    .25 .85 0.85 .001918 .005104 .000877 .002536        0        0
Fe3+T2     .5     .5    .25 .15 0.85 .001918 .005104 .000877 .002536        0        0
SiT1   .23814 .35284 .39067     0.77 .002568 .002828 .000877 .001495  .000099  .000139
O1      .1299  .3943      0     1.61 .006957 .005624 .001157 .003121        0        0
O2      .2197  .2778 .13331     1.46 .004681 .005657 .001973 .003576 -.000020  .000040
O3      .1551  .4967 .17248     1.07 .003381 .003478 .001328 .001723 -.000199 -.000458
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: 5
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