|
Povondraite |
 |
Grice J D, Ercit T S, Hawthorne F C |
 |
American Mineralogist 78 (1993) 433-436 |
|
Povondraite, a redefinition of the tourmaline ferridravite |
|
Note: Atomic parameters updated by Grice on 11/20/2001 |
|
Locality: San Francisco mine, Villa Tunari, Bolivia |
|
_database_code_amcsd 0001555 |
|
16.186 16.186 7.444 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .2277 .80 .023 .0171 .0171 .0340 .00855 0 0 |
|
KX 0 0 .2277 .20 .023 .0171 .0171 .0340 .00855 0 0 |
|
FeY .1224 .0612 .6429 .85 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
|
MgY .1224 .0612 .6429 .15 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
|
FeZ .2987 .2627 .6124 .72 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
MgZ .2987 .2627 .6124 .23 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
AlZ .2987 .2627 .6124 .05 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
SiT .1892 .1876 0 .006 .0056 .0043 .0097 .0028 -.0010 -.0010 |
|
B .1097 .2194 .4558 .0095 .0118 .0046 .0078 .0023 .0003 .0006 |
|
O1 0 0 .7718 .88 .007 .0077 .0077 .0077 .00385 0 0 |
|
OH1 0 0 .7718 .12 .007 .0077 .0077 .0077 .00385 0 0 |
|
O2 .0610 .1220 .4905 .010 .0101 .0041 .0130 .0020 .0009 .0018 |
|
O3 .2578 .1289 .5123 .009 .0122 .0077 .0088 .0061 -.0026 -.0013 |
|
O4 .0924 .1848 .0692 .011 .0082 .0156 .0126 .0078 -.0058 -.0029 |
|
O5 .1826 .0913 .0866 .010 .0102 .0040 .0183 .0051 .0005 .0002 |
|
O6 .1922 .1829 .7838 .008 .0114 .0069 .0083 .0057 -.0004 -.0016 |
|
O7 .2811 .2813 .0754 .010 .0086 .0068 .0119 .0020 -.0002 -.0009 |
|
O8 .2070 .2679 .4420 .010 .0053 .0097 .0175 .0045 .0038 .0055 |
|
H3 .2411 .1205 .4027 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Povondraite |
|
Watenphul A, Burgdorf M, Schl�ter J, Horn I, Malcherek T, Mihailova B |
| |
American Mineralogist 101 (2016) 970-985 |
|
Exploring the potential of Raman spectroscopy for crystallochemical analyses |
|
of complex hydrous silicates: II. Tourmalines |
|
Note: Sample S33 |
|
Locality: Cristalmayu valley, Alto Chapare district, Cochabamba department, Bolivia |
|
_database_code_amcsd 0021212 |
|
16.2467 16.2467 7.4740 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 2/3 1/3 .2825 .634 .0171 .0158 .0158 .0197 .0079 0 0 |
|
KX 2/3 1/3 .2825 .366 .0171 .0158 .0158 .0197 .0079 0 0 |
|
Fe3+Y .21077 .605385 .19380 .546 .00778 .0073 .00574 .0108 .00363 -.00212 -.00106 |
|
MgY .21077 .605385 .19380 .257 .00778 .0073 .00574 .0108 .00363 -.00212 -.00106 |
|
TiY .21077 .605385 .19380 .197 .00778 .0073 .00574 .0108 .00363 -.00212 -.00106 |
|
Fe3+Z .03448 .63032 .22438 .661 .00613 .00523 .00592 .00732 .00286 -.00039 -.00070 |
|
MgZ .03448 .63032 .22438 .261 .00613 .00523 .00592 .00732 .00286 -.00039 -.00070 |
|
AlZ .03448 .63032 .22438 .078 .00613 .00523 .00592 .00732 .00286 -.00039 -.00070 |
|
SiT .14409 .66511 -.16270 .00625 .0057 .0055 .0079 .00313 -.00042 .00020 |
|
B -.1138 .44310 .0450 .0077 .0070 .0060 .0104 .0035 -.0016 -.0008 |
|
O1 1/3 2/3 .0622 .0140 .0165 .0165 .0089 .0082 0 0 |
|
O2 .27201 .54403 .3433 .0102 .0091 .0072 .0137 .0036 .0011 .0022 |
|
O3 .07469 .53734 .3241 .0113 .0170 .0107 .0083 .0085 .0008 .0004 |
|
O4 .24128 .75872 -.2307 .0111 .0080 .0080 .0127 .0006 .0000 .0000 |
|
O5 .14995 .57497 -.2479 .0105 .0142 .0074 .0123 .0071 .0021 .0010 |
|
O6 .14069 .65772 .0524 .0088 .0098 .0106 .0076 .0061 -.0001 .0003 |
|
O7 .05252 .66704 -.2387 .0089 .0076 .0118 .0099 .0068 -.0001 .0010 |
|
O8 -.06568 .54006 .0619 .0106 .0106 .0049 .0149 .0026 -.0038 -.0009 |
|
H3 .089 .545 .448 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
|
Povondraite |
|
Grice J D, Ercit T S |
| |
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
|
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
|
Sample: Povondraite 144478 |
|
Locality: San Francisco mine, Villa Tu nari, Bolivia |
|
_database_code_amcsd 0018783 |
|
16.186 16.186 7.444 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .228 .79 .0273 |
|
KX 0 0 .228 .26 .0273 |
|
MgY .12238 .06119 .6430 .0167 .0064 |
|
Fe2Y .12238 .06119 .6430 .1433 .0064 |
|
VY .12238 .06119 .6430 .0033 .0064 |
|
Fe3Y .12238 .06119 .6430 .8367 .0064 |
|
AlZ .2987 .2627 .6124 .0533 .0057 |
|
Fe3Z .2987 .2627 .6124 .6467 .0057 |
|
MgZ .2987 .2627 .6124 .3 .0057 |
|
SiT .1892 .1876 0 .99 .0061 |
|
BT .1892 .1876 0 .01 .0061 |
|
B .1097 .2194 .456 .0086 |
|
O1 0 0 .772 .70 .0073 |
|
OH1 0 0 .772 .30 .0073 |
|
O2 .0609 .1218 .491 .0094 |
|
O3 .2578 .1289 .513 .0088 |
|
O4 .0924 .1848 .069 .0108 |
|
O5 .1826 .0913 .087 .0099 |
|
O6 .1923 .1829 .784 .0081 |
|
O7 .2810 .2813 .075 .0096 |
|
O8 .2069 .2678 .442 .0101 |
|
H3 .242 .121 .41 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
