American Mineralogist Crystal Structure Database

3 matching records for this search.

Fe7SiO10
 
Smuts J, Steyn J G D, Boeyens J C A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=25&spage=1251
Acta Crystallographica B25 (1969) 1251-1255
The crystal structure of an iron silicate, iscorite
_database_code_amcsd 0009352
21.4 3.06 5.88 90 98 90 P2_1/m
atom      x   y     z  Biso
Fe2+1 .0553 .75 .1416   .75
Fe2+2 .0532 .75 .6621   .73
Fe2+3 .1599 .25 .4576  1.11
Fe2+4 .4445 .75 .3553   .76
Fe2+5 .4471 .75 .8421   .89
Fe3+1 .1931 .75 .9743  1.05
Fe3+2 .3345 .25 .0378   .76
Si    .3018 .75 .5251   .07
O1    .0497 .25 .4091   .64
O2    .0390 .25 .8827   .86
O3    .1469 .75 .2025  1.32
O4    .1469 .75 .6951  2.91
O5    .2342 .25 .0126  5.54
O6    .2625 .25 .5074   .06
O7    .3498 .75 .2918  2.49
O8    .3431 .75 .8088  1.82
O9    .4542 .25 .1058  1.32
O10   .4562 .25 .6002  1.78
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gypsum
Download hom/gypsum.pdf
Boeyens J C A, Ichharam V V H
 
Zeitschrift fur Kristallographie 217 (2002) 9-10
Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O
Locality: synthetic
_database_code_amcsd 0011093
6.284 15.200 6.523 90 127.41 90 C2/c
atom     x      y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca      .5 .07956   .75       .0105  .0124  .0104      0  .0057      0
S        0 .07724   .75       .0084  .0108  .0090      0  .0046      0
O1   .0372 .13198 .5872       .0163  .0187  .0145  .0006  .0093  .0052
O2   .2424 .02211 .9092       .0115  .0179  .0172  .0052  .0075  .0068
OW   .6202 .18197 .0784       .0304  .0182  .0157  .0013  .0099 -.0028
H1    .749   .162  .251 .031
H2    .584   .235  .073 .057
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Barberiite
Download hom/barberiite.pdf
van Rensburg D J J, Boeyens J C A
 
Journal of Solid State Chemistry 5 (1972) 79-84
The crystal structure of ammonium tetrafluoroborate IV at 140 K
Locality: synthetic
Sample: T = 140 K
Note: x(H2), y(H2) adjusted to match reported bond lengths
_database_code_amcsd 0013299
7.243 8.808 5.908 90 90 90 Pbnm
atom     x     y     z  Biso
N    .1714 .1843   .25  .704
H1   .1300 .2900   .25 3.000
H2   .2890 .1980   .25 3.000
H3   .1000 .1500   .08 3.000
B    .6905 .0722   .25 1.223
F1   .5822 .9403   .25 2.406
F2   .5764 .2019   .25 1.571
F3    .806 .0768 .0527 1.469
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 3
View in amc, download in amc

Return to AMCSD Home Page