American Mineralogist Crystal Structure Database

4 matching records for this search.

Sphaerobertrandite
 
Pekov I V, Chukanov N V, Larsen A O, Merlino S, Pasero M, Pushcharovsky D Y,
Ivaldi G, Zadov A E, Grishin V G, Asheim A, Tafto J, Chistyakova N I
 
European Journal of Mineralogy 15 (2003) 157-166
Sphaerobertrandite, Be3SiO4(OH)2: new data, crystal structure and genesis
_database_code_amcsd 0006960
5.082 4.640 17.696 90 106.13 90 P2_1/c
atom     x     y     z  Uiso
Be1   .290  .416 .1198  .006
Be2   .629  .089 .9604  .007
Be3   .110  .917 .2924  .006
Si   .0274 .4195 .3755 .0073
O1    .023  .574 .1430  .008
O2    .045  .571 .2933  .008
O3    .228  .069 .0990  .001
O4    .697  .974 .0540  .008
OH5   .307  .575 .0413  .011
OH6   .557  .465 .1939  .013
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View JMOL 3-D Structure (permalink)
 
Berborite
Download hom/berborite.pdf
Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
Berborite polytypes
Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
Sample: 1T polytype
Note: anisoU's from ICSD
_database_code_amcsd 0014716
4.434 4.434 5.334 90 90 120 P3
atom     x      y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
BeA    2/3    1/3 .6085      .66 .00660 .00660 .01184 .00330       0       0
BeB    1/3   -1/3 .4030      .66 .00680 .00680 .01146 .00340       0       0
B        0      0    .5      .58 .00499 .00499 .01215 .00249       0       0
O1   .3089 -.0001    .5      .74 .00442 .00502 .01879 .00249 -.00065 -.00124
O2A    2/3    1/3 .9089     1.48 .02275 .02275 .01071 .01138       0       0
O2B    1/3    2/3 .0924     1.61 .02533 .02533 .01059 .01267       0       0
HA   -.438   .427  .983 1/3  3.5
HB    .459  -.444  .020 2/3  3.5
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Berborite
Download hom/berborite.pdf
Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
Berborite polytypes
Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
Sample: 2H polytype
Note: anisoU's from ICSD
_database_code_amcsd 0014717
4.433 4.433 10.638 90 90 120 *P6_3
-.33333333 .33333333 0
atom     x      y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
BeA    2/3    1/3 .3036      .82 .00642 .00642  .0184 .00321       0       0
BeB    1/3    2/3 .2009      .70 .00801 .00801  .0107 .00401       0       0
B        0      0   .25      .61 .00547 .00547 .01213 .00274       0       0
O1   .3089 -.0002   .25      .76 .00528 .00509 .01832 .00258 -.00083 -.00153
O2A    2/3    1/3 .4549     1.32 .01865 .01865 .01276 .00932       0       0
O2B    1/3    2/3 .0450     1.52 .02310 .02310 .01139 .01155       0       0
HA   -.401   .446  .496 1/3  3.0
HB    .439  -.445  .508 2/3  5.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Berborite
Download hom/berborite.pdf
Giuseppetti G, Mazzi F, Tadini C, Larsen A O, Asheim A, Raade G
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
Berborite polytypes
Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
Sample: 2T polytype
Note: anisoU's from ICSD
_database_code_amcsd 0014718
4.431 4.431 10.663 90 90 120 P3c1
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
BeA    2/3   1/3 .3039      .67 .00686 .00686 .01157 .00343      0       0
BeB    1/3   2/3 .2011      .73 .00715 .00715 .01339 .00357      0       0
B        0     0   .25      .62 .00520 .00520 .01312 .00260      0       0
O1   .3089 .0000   .25      .78 .00609 .00539 .01979 .00423 .00147 -.00133
O2A    2/3   1/3 .4544     1.53 .02377 .02377 .01065 .01189      0       0
O2B    1/3   2/3 .0462     1.62 .02438 .02438 .01274 .01219      0       0
HA   -.451  .444  .491 1/3  3.0
HB    .452 -.444  .511 2/3  5.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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