American Mineralogist Crystal Structure Database

4 matching records for this search.

Bertrandite
Download hom/bertrandite.pdf
Downs J W, Ross F K
Download am/vol72/AM72_979.pdf
American Mineralogist 72 (1987) 979-983
Neutron-diffraction study of bertrandite
Note: O2y has been corrected
_database_code_amcsd 0001126
8.7135 15.268 4.5683 90 90 90 Cmc2_1
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   .3251  .1141 .6540  .0103  .0030  .0090 -.0008 -.0004  .0000
Be1  .1726 .05249 .1562  .0104  .0054  .0107  .0008 -.0007 -.0006
Be2  .3264 .22023 .1509  .0126  .0059  .0111  .0003 -.0005  .0013
H1       0  .2006 .4203  .0210  .0289  .0351      0      0 -.0176
H2      .5  .3675 .4530  .0295  .0250  .0407      0      0 -.0153
O1   .2899  .1243     0  .0136  .0042  .0096 -.0015  .0018 -.0005
O2   .2095  .0430 .5065  .0126  .0053  .0101 -.0020 -.0012  .0003
O3   .2938  .2091 .5012  .0153  .0047  .0099  .0015  -.006  .0005
O4      .5  .0847 .5916  .0077  .0092  .0172      0      0 -.0027
O5      .5  .2553 .0877  .0105  .0101  .0158      0      0  .0028
O6       0  .0876 .0978  .0122  .0104  .0137      0      0  .0011
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View JMOL 3-D Structure (permalink)
 
Bertrandite
Download hom/bertrandite.pdf
Hazen R M, Au A Y
 
Physics and Chemistry of Minerals 13 (1986) 69-78
High-pressure crystal chemistry of phenakite (Be2SiO4)
and bertrandite (Be4Si2O7(OH)2)
Sample: P = 1 bar
_database_code_amcsd 0007375
8.7135 15.268 4.5683 90 90 90 Cmc2_1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Be1  .1735 .0527 .1628  .45  .0024  .0005  .0020 -.00005  .0045  .0005
Be2  .3264 .2203 .1517  .48  .0015  .0005  .0058   .0003  .0042 -.0024
Si   .3254 .1144 .6523  .21 .00095 .00026  .0011  .00008  .0005 -.0002
O1   .2897 .1244     0  .38  .0025  .0003  .0018  -.0002 -.0002  .0001
O2   .2101 .0431 .5074  .31  .0016  .0003  .0019  -.0000 -.0009  .0001
O3   .2934 .2093 .5024  .42  .0027  .0003  .0014   .0003 -.0000 -.0001
O4       0 .5852 .5951  .46  .0008  .0005  .0080       0      0 -.0005
OH1      0 .7553 .0886  .54  .0013  .0007  .0066       0      0  .0009
OH2      0 .0872 .0993  .53  .0017  .0008  .0039       0      0  .0008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bertrandite
Download hom/bertrandite.pdf
Hazen R M, Au A Y
 
Physics and Chemistry of Minerals 13 (1986) 69-78
High-pressure crystal chemistry of phenakite (Be2SiO4)
and bertrandite (Be4Si2O7(OH)2)
Sample: P = 23 kbar
Note: x-coordinate of O2 altered
_database_code_amcsd 0007376
8.641 15.051 4.5338 90 90 90 Cmc2_1
atom     x     y     z Biso
Be1  .1679 .0536  .094   .6
Be2  .3246 .2214  .061  .06
Si   .3261 .1135 .6546  .52
O1   .2939 .1246     0   .8
O2   .2067 .0438 .4987  1.0
O3   .2948 .2081 .4904   .9
O4       0 .5821 .5843   .9
OH1      0 .7600 .0826  .87
OH2      0 .0916 .0760   .6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Bertrandite
Download hom/bertrandite.pdf
Hazen R M, Au A Y
 
Physics and Chemistry of Minerals 13 (1986) 69-78
High-pressure crystal chemistry of phenakite (Be2SiO4)
and bertrandite (Be4Si2O7(OH)2)
Sample: P = 41 kbar
Note: y-coordinate of O3 altered
_database_code_amcsd 0007377
8.587 14.912 4.5901 90 90 90 Cmc2_1
atom     x     y     z Biso
Be1  .1723 .0545  .136   .8
Be2  .3297 .2233  .065   .5
Si   .3270 .1128 .6499  .45
O1   .2956 .1233     0   .8
O2   .2048 .0443 .5034   .8
O3   .2990 .2086 .4846  1.1
O4       0 .5796 .5880   .7
OH1      0 .7628 .0533   .5
OH2      0 .0947 .0762   .6
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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