American Mineralogist Crystal Structure Database

4 matching records for this search.

Davyne
Download hom/davyne.pdf
Hassan I, Grundy H D
Download cm/vol28/CM28_341.pdf
The Canadian Mineralogist 28 (1990) 341-349
Structure of davyne and implications for stacking faults
Sample BM1907,210
_database_code_amcsd 0005240
12.854 12.854 5.357 90 90 120 P6_3
atom    x    y    z occ Uiso
O1   .212 .424 .724     .019
O2   .112 .554 .746     .025
O3   .009 .340 .010     .007
O4   .328 .346 .025     .039
AlT1 .338 .413 .751 .63 .010
SiT1 .338 .413 .751 .37 .010
SiT2 .077 .414  .75 .60 .011
AlT2 .077 .414  .75 .40 .011
Cl    2/3  1/3 .711     .091
Ca    2/3  1/3 .218     .009
Na   .153 .308 .258 .55 .038
K    .118 .228 .264 .28 .049
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Davyne
Download hom/davyne.pdf
Hassan I, Grundy H D
Download cm/vol28/CM28_341.pdf
The Canadian Mineralogist 28 (1990) 341-349
Structure of davyne and implications for stacking faults
Sample 1469
_database_code_amcsd 0005241
12.793 12.793 5.367 90 90 120 P6_3
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1    .2128 .4266 .7284            .0093  .0220  .0338  .0111  .0009  .0043
O2    .1045 .5588 .7479            .0157  .0083  .0224  .0080  .0002 -.0013
O3    .0004 .3300 .0203            .0224  .0183  .0147  .0139  .0124  .0081
O4    .3205 .3383 .0028            .0143  .0221  .0143  .0065 -.0027  .0081
SiT1  .3289 .4101   .75            .0039  .0054  .0049  .0029  .0001  .0013
AlT2  .0704 .4099 .7508            .0038  .0051  .0059  .0025 -.0005  .0000
Cl      2/3   1/3 .7322            .1314  .1314  .0172  .0657      0      0
Ca      2/3   1/3 .2287 .97        .0114  .0114  .0221  .0057      0      0
Na    .1518 .3109 .2716 .51        .0507  .1600  .0355  .0826 -.0019 -.0083
K     .1106 .2264 .2564 .43        .0243  .0470  .0633  .0232 -.0007  .0029
O51  -.0511 .0462 .1384 .23 .0707
O52   .0591 .1148 .3619 .25 .0448
S         0     0 .2708 .25        .0156  .0156  .0579  .0078      0      0
O5        0     0 .4964 .28 .0723
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Davyne
Download hom/davyne.pdf
Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Sar-e Sang mine, Badakhshan, Afghanistan