|
Bertrandite |
 |
Downs J W, Ross F K |
 |
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 |
|
|
| 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 |
|
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 |
|
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 |
|
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) |
| |
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: 