|
Rossmanite |
| |
Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K |
 |
American Mineralogist 83 (1998) 896-900 |
|
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: |
|
Description and crystal structure |
|
Locality: Rozna, Moravia, Czech Republic |
|
_database_code_amcsd 0002029 |
|
15.770 15.770 7.085 90 90 120 R3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .84080 .43 .0237 .0237 .0193 .01185 0 0 |
|
AlY .06084 .93916 .4373 .72 .0051 .0051 .0079 .0014 .0012 -.0012 |
|
LiY .06084 .93916 .4373 .28 .0051 .0051 .0079 .0014 .0012 -.0012 |
|
AlZ .25942 .29637 .4656 .0069 .0046 .0045 .0029 -.0010 -.0001 |
|
SiT .18965 .19163 .0721 .0041 .0045 .0050 .0021 .0005 .0002 |
|
B .89078 .10922 .6198 .0053 .0053 .0051 .0021 .0000 .0000 |
|
OH1 0 0 .3015 .83 .0216 .0216 .0082 .0108 0 0 |
|
F1 0 0 .3015 .10 .0216 .0216 .0082 .0108 0 0 |
|
O1 0 0 .3015 .07 .0216 .0216 .0082 .0108 0 0 |
|
O2 .93952 .06048 .5809 .0138 .0138 .0108 .0112 -.0001 .0001 |
|
OH3 .12998 .87002 .5647 .0095 .0095 .0065 -.0012 .0011 -.0011 |
|
O4 .90516 .09484 -.0017 .0066 .0066 .0083 -.0001 -.0003 .0003 |
|
O5 .09386 .90614 -.0229 .0075 .0075 .0077 -.0001 -.0010 .0010 |
|
O6 .18346 .19363 .2988 .0081 .0079 .0051 .0034 .0003 .0000 |
|
O7 .28630 .28694 -.0034 .0054 .0062 .0061 .0017 .0014 -.0003 |
|
O8 .27035 .20965 .6359 .0087 .0049 .0079 .0035 -.0031 -.0009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Burangaite |
 |
Selway J B, Cooper M A, Hawthorne F C |
|
The Canadian Mineralogist 35 (1997) 1515-1522 |
|
Refinement of the crystal structure of burangaite |
|
_database_code_amcsd 0005534 |
|
25.099 5.0491 13.438 90 110.88 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) |
|
Na 0 -.1475 .25 .0110 .0190 .0122 0 .0046 0 |
|
Al1 0 0 0 .0052 .0069 .0063 .0001 .0021 -.0004 |
|
Fe2 .25 .25 0 .0053 .0068 .0059 -.0046 .0008 -.0003 |
|
Al3 .15172 -.0184 .10937 .0051 .0057 .0047 -.0003 .0019 -.0004 |
|
Al4 .14090 -.2243 .35101 .0051 .0045 .0043 .0008 .0018 .0002 |
|
P1 .21594 .2660 .32744 .0046 .0043 .0045 -.0001 .0017 -.0001 |
|
P2 .08058 .2752 .39430 .0049 .0047 .0055 .0000 .0022 .0002 |
|
H5 .153 .392 .018 .05 |
|
H8 .145 -.423 .195 .05 |
|
H11 .079 .231 .130 .05 |
|
H12a .004 -.457 .098 .05 |
|
H12b .0630 -.29 .134 .05 |
|
O1 .09188 .0558 .3256 .0084 .0063 .0082 .0018 .0027 -.0009 |
|
O2 .07990 .5443 .3412 .0075 .0056 .0081 -.0003 .0029 .0018 |
|
O3 .02109 .2212 .4013 .0057 .0096 .0109 -.0004 .0045 .0021 |
|
O4 .12559 .2796 .5061 .0089 .0070 .0056 -.0012 .0012 .0007 |
|
O5 .16661 .2148 .0085 .0085 .0083 .0073 .0003 .0045 -.0002 |
|
O6 .20824 .0037 .3798 .0074 .0067 .0077 -.0002 .0020 .0022 |
|
O7 .19596 -.5027 .3816 .0078 .0063 .0077 .0010 .0028 -.0018 |
|
O8 .12955 -.2502 .2046 .0079 .0071 .0062 .0001 .0033 .0005 |
|
O9 .17616 .2552 .2105 .0087 .0076 .0058 .0003 .0013 -.0005 |
|
O10 .22232 -.1896 .1574 .0065 .0103 .0125 .0015 .0042 .0019 |
|
O11 .07453 .1270 .0660 .0055 .0077 .0106 -.0002 .0019 -.0012 |
|
O12 .02132 -.2822 .1022 .0082 .0100 .0104 -.0003 .0030 .0020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
