|
Olenite |
 |
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A |
 |
American Mineralogist 88 (2003) 1369-1376 |
|
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and |
|
relations to synthetic solid solutions |
|
Note: This sample may be named wrong |
|
Sample BT |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003156 |
|
15.9466 15.9466 7.1384 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .693 .0276 |
|
CaX 0 0 .25 .011 .0276 |
|
KX 0 0 .25 .002 .0276 |
|
AlY .12442 .06221 -.3585 .412 .0113 |
|
Mn2Y .12442 .06221 -.3585 .411 .0113 |
|
Fe2Y .12442 .06221 -.3585 .007 .0113 |
|
LiY .12442 .06221 -.3585 .126 .0113 |
|
AlZ .29797 .26132 -.3702 .0065 |
|
SiT .19196 .19011 .0178 .988 .00540 |
|
AlT .19196 .19011 .0178 .012 .00540 |
|
B .11005 .2201 .4707 .0103 |
|
O1 0 0 -.2007 .32 .046 |
|
F1 0 0 -.2007 .48 .046 |
|
OH1 0 0 -.2007 .25 .046 |
|
O2 .06171 .1234 .4976 .0226 |
|
O3 .2689 .13446 -.4716 .0121 |
|
O4 .09324 .1865 .0884 .0106 |
|
O5 .1874 .09368 .1111 .0097 |
|
O6 .19796 .18771 -.2072 .0093 |
|
O7 .28540 .28610 .0985 .0074 |
|
O8 .21028 .2711 .4591 .0099 |
|
H3 .268 .134 .439 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Prowatke S, Rossman G R, London D, Fritz E A |
|
American Mineralogist 88 (2003) 1369-1376 |
|
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and |
|
relations to synthetic solid solutions |
|
Note: This sample may be named wrong |
|
Sample P6 |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003157 |
|
15.941 15.941 7.136 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .773 .0275 |
|
CaX 0 0 .25 .032 .0275 |
|
KX 0 0 .25 .004 .0275 |
|
AlY .12450 .06225 -.3575 .411 .0123 |
|
Mn2Y .12450 .06225 -.3575 .381 .0123 |
|
Fe2Y .12450 .06225 -.3575 .006 .0123 |
|
LiY .12450 .06225 -.3575 .161 .0123 |
|
TiY .12450 .06225 -.3575 .002 .0123 |
|
AlZ .29808 .26132 -.3695 .00786 |
|
SiT .19192 .19000 .0188 .971 .00680 |
|
AlT .19192 .19000 .0188 .029 .00680 |
|
B .11015 .2203 .4734 .0092 |
|
O1 0 0 -.2000 .19 .0487 |
|
OH1 0 0 -.2000 .33 .0487 |
|
F1 0 0 -.2000 .48 .0487 |
|
O2 .06142 .12284 .5004 .0231 |
|
O3 .2687 .13434 -.4710 .0129 |
|
O4 .09329 .18658 .0887 .0108 |
|
O5 .18716 .09358 .1110 .0111 |
|
O6 .19761 .18748 -.2059 .0101 |
|
O7 .28546 .28588 .0990 .0088 |
|
O8 .21016 .27115 .4602 .0109 |
|
H3 .271 .1355 .418 .06 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T1 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003445 |
|
15.7537 15.7537 7.0707 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .408 .0158 |
|
CaX 0 0 .25 .290 .0158 |
|
KX 0 0 .25 .002 .0158 |
|
AlY .12149 .06074 -.32526 .779 .0097 |
|
LiY .12149 .06074 -.32526 .122 .0097 |
|
Fe2Y .12149 .06074 -.32526 .028 .0097 |
|
Mn2Y .12149 .06074 -.32526 .003 .0097 |
|
MgY .12149 .06074 -.32526 .002 .0097 |
|
TiY .12149 .06074 -.32526 .002 .0097 |
|
AlZ .29671 .26049 -.35784 .00898 |
|
SiT .19120 .18935 .03544 .832 .00789 |
|
BT .19120 .18935 .03544 .103 .00789 |
|
AlT .19120 .18935 .03544 .060 .00789 |
|
BeT .19120 .18935 .03544 .006 .00789 |
|
B .10908 .21815 .48617 .0085 |
|
O1 0 0 -.1925 .59 .0159 |
|
OH1 0 0 -.1925 .41 .0159 |
|
O2 .05986 .11972 .5246 .0150 |
|
O3 .25944 .12972 -.4586 .0135 |
|
O4 .09389 .18777 .1101 .0141 |
|
O5 .18588 .09294 .1309 .0147 |
|
O6 .19343 .18312 -.1910 .0099 |
|
O7 .28650 .28584 .1102 .0100 |
|
O8 .20935 .26996 .4710 .0098 |
|
H3 .252 .126 .400 .08 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T2 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003446 |
|
15.7713 15.7713 7.0760 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .48 .0170 |
|
CaX 0 0 .25 .241 .0170 |
|
AlY .12143 .06071 -.32815 .741 .0096 |
|
LiY .12143 .06071 -.32815 .114 .0096 |
|
Fe2Y .12143 .06071 -.32815 .063 .0096 |
|
MgY .12143 .06071 -.32815 .003 .0096 |
|
TiY .12143 .06071 -.32815 .003 .0096 |
|
Mn2Y .12143 .06071 -.32815 .002 .0096 |
|
AlZ .29674 .26042 -.35941 .00881 |
|
SiT .19136 .18949 .03338 .855 .00754 |
|
AlT .19136 .18949 .03338 .049 .00754 |
|
BeT .19136 .18949 .03338 .005 .00754 |
|
BT .19136 .18949 .03338 .090 .00754 |
|
B .10914 .21828 .48456 .0084 |
|
O1 0 0 -.1938 .68 .0180 |
|
OH1 0 0 -.1938 .32 .0180 |
|
O2 .06000 .12000 .5217 .0161 |
|
O3 .26057 .13029 -.4602 .0141 |
|
O4 .09384 .18767 .1077 .0136 |
|
O5 .18598 .09299 .1287 .0141 |
|
O6 .19389 .18359 -.1930 .0100 |
|
O7 .28653 .28595 .1089 .0098 |
|
O8 .20938 .27000 .4696 .0098 |
|
H3 .256 .128 .411 .07 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T3 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003447 |
|
15.7959 15.7959 7.0815 90 90 120 R3m |
|
atom x y z occ Uiso |
|
Na 0 0 .75 .478 .0170 |
|
Ca 0 0 .75 .252 .0170 |
|
AlY .87871 .93935 .32912 .705 .0099 |
|
Fe2Y .87871 .93935 .32912 .112 .0099 |
|
LiY .87871 .93935 .32912 .091 .0099 |
|
Mn2Y .87871 .93935 .32912 .005 .0099 |
|
MgY .87871 .93935 .32912 .004 .0099 |
|
TiY .87871 .93935 .32912 .003 .0099 |
|
AlZ .70312 .73953 .35947 .00886 |
|
SiT .80847 .81037 .96712 .874 .00762 |
|
AlT .80847 .81037 .96712 .042 .00762 |
|
BeT .80847 .81037 .96712 .005 .00762 |
|
BT .80847 .81037 .96712 .080 .00762 |
|
B .89084 .78168 .51582 .0088 |
|
O1 0 0 .1927 .69 .0210 |
|
OH1 0 0 .1927 .31 .0210 |
|
O2 .93984 .87969 .4796 .0170 |
|
O3 .73834 .86917 .4604 .0145 |
|
O4 .90624 .81248 .8933 .0137 |
|
O5 .81398 .90699 .8719 .0143 |
|
O6 .80548 .81585 .1934 .0105 |
|
O7 .71346 .71399 .8910 .0101 |
|
O8 .79066 .72996 .5304 .0102 |
|
H3 .742 .871 .591 .06 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T4 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003448 |
|
15.8472 15.8472 7.0988 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .545 .0178 |
|
CaX 0 0 .25 .245 .0178 |
|
AlY .12142 .06071 -.33189 .597 .0098 |
|
Fe2Y .12142 .06071 -.33189 .223 .0098 |
|
LiY .12142 .06071 -.33189 .075 .0098 |
|
MgY .12142 .06071 -.33189 .013 .0098 |
|
Mn2Y .12142 .06071 -.33189 .007 .0098 |
|
TiY .12142 .06071 -.33189 .004 .0098 |
|
AlZ .29709 .26061 -.36039 .0087 |
|
SiT .19179 .18986 .03137 .892 .0074 |
|
AlT .19179 .18986 .03137 .045 .0074 |
|
BeT .19179 .18986 .03137 .004 .0074 |
|
BT .19179 .18986 .03137 .059 .0074 |
|
B .10938 .21876 .48285 .0090 |
|
O1 0 0 -.1930 .75 .0257 |
|
OH1 0 0 -.1930 .25 .0257 |
|
O2 .06044 .12088 .5170 .0184 |
|
O3 .2634 .13169 -.4615 .0145 |
|
O4 .09357 .18715 .1045 .0135 |
|
O5 .1862 .09310 .1264 .0142 |
|
O6 .19538 .18497 -.1950 .0108 |
|
O7 .28663 .28622 .1084 .0101 |
|
O8 .20935 .27011 .4685 .0106 |
|
H3 .262 .131 .416 .05 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Wieden-beck M, Brandstatter F |
|
American Mineralogist 89 (2004) 447-454 |
|
Structural and chemical response to varying B content in zoned Fe-bearing olenite |
|
from Koralpe, Austria |
|
Sample: T5 |
|
Locality: Koralpe, Austria |
|
_database_code_amcsd 0003449 |
|
15.9013 15.9013 7.1213 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .632 .0196 |
|
CaX 0 0 .25 .145 .0196 |
|
AlY .12204 .06102 -.33702 .440 .0099 |
|
Fe2Y .12204 .06102 -.33702 .401 .0099 |
|
LiY .12204 .06102 -.33702 .063 .0099 |
|
MgY .12204 .06102 -.33702 .029 .0099 |
|
TiY .12204 .06102 -.33702 .009 .0099 |
|
Mn2Y .12204 .06102 -.33702 .008 .0099 |
|
AlZ .29753 .26084 -.36206 .00843 |
|
SiT .19190 .18994 .02874 .921 .0071 |
|
AlT .19190 .18994 .02874 .022 .0071 |
|
BeT .19190 .18994 .02874 .002 .0071 |
|
BT .19190 .18994 .02874 .056 .0071 |
|
B .10971 .21943 .48112 .0097 |
|
O1 0 0 -.1936 .81 .0325 |
|
OH1 0 0 -.1936 .19 .0325 |
|
O2 .06093 .12185 .5137 .0194 |
|
O3 .2653 .13262 -.4628 .0153 |
|
O4 .09344 .18688 .1002 .0139 |
|
O5 .1867 .09335 .1224 .0139 |
|
O6 .19643 .18609 -.1969 .0115 |
|
O7 .28616 .28613 .1067 .0107 |
|
O8 .20954 .27039 .4672 .0117 |
|
H3 .263 .132 .420 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
|
American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003527 |
|
9.3429 9.3429 6.8110 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
|
Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
|
P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
|
O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
|
O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
|
O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
|
F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Apatite-(CaF) |
|
Hughes J M, Ertl A, Bernhardt H J, Rossman G R, Rakovan J F |
|
American Mineralogist 89 (2004) 629-632 |
|
Mn-rich fluorapatite from Autria: Crystal structure, chemical analysis, and |
|
spectroscopic investigations |
|
_database_code_amcsd 0003528 |
|
9.3429 9.3429 6.8110 90 90 120 P6_3/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 1/3 2/3 -.00256 .72 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Mn1 1/3 2/3 -.00256 .28 .0131 .0137 .0137 .0118 .00683 0 0 |
|
Ca2 .75861 .75194 .25 .96 .0124 .0139 .0124 .0115 .0069 0 0 |
|
Mn2 .75861 .75194 .25 .04 .0124 .0139 .0124 .0115 .0069 0 0 |
|
P .60081 .97137 .25 .0095 .0091 .0079 .0117 .0043 0 0 |
|
O1 .6690 .15855 .25 .0159 .0202 .0086 .0190 .0074 0 0 |
|
O2 .4111 .8767 .25 .0288 .0096 .0138 .062 .0048 0 0 |
|
O3 .6591 .91763 .0701 .0274 .0537 .0246 .0156 .0284 .0142 .0066 |
|
F 0 0 .25 .0305 .0176 .0176 .056 .0088 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rossmanite |
| |
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
|
American Mineralogist 90 (2005) 481-487 |
|
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
|
Austria: Structure, chemistry, and infrared and optical spectroscopic study |
|
Sample: REDT1 |
|
Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 |
|
(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] |
|
Tourmaline |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003738 |
|
15.8031 15.8031 7.0877 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0275 |
|
CaX 0 0 .25 .01 .0275 |
|
AlY .12146 .06073 -.3362 .790 .00814 |
|
LiY .12146 .06073 -.3362 .110 .00814 |
|
Mn2Y .12146 .06073 -.3362 .083 .00814 |
|
Fe2Y .12146 .06073 -.3362 .013 .00814 |
|
Ti4Y .12146 .06073 -.3362 .003 .00814 |
|
AlZ .29651 .25999 -.3643 .00762 |
|
SiT .19154 .18958 .0303 .912 .00598 |
|
BT .19154 .18958 .0303 .042 .00598 |
|
AlT .19154 .18958 .0303 .047 .00598 |
|
B .10956 .21912 .4803 .0077 |
|
O1 0 0 -.2052 .86 .0149 |
|
OH1 0 0 -.2052 .10 .0149 |
|
F1 0 0 -.2052 .04 .0149 |
|
O2 .06065 .12131 .5205 .0130 |
|
O3 .25787 .12893 -.4636 .0126 |
|
O4 .09524 .19049 .1043 .0124 |
|
O5 .18806 .09403 .1258 .0127 |
|
O6 .19340 .18302 -.1974 .00945 |
|
O7 .28717 .28662 .1044 .00906 |
|
O8 .20959 .27052 .4649 .00910 |
|
H3 .251 .1256 .423 .95 .053 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rossmanite |
| |
Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
|
American Mineralogist 90 (2005) 481-487 |
|
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
|
Austria: Structure, chemistry, and infrared and optical spectroscopic study |
|
Sample: REDT4 |
|
Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 |
|
(Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] |
|
Tourmaline |
|
Locality: Eibenstein an der Thaya, Lower Austria |
|
_database_code_amcsd 0003739 |
|
15.8171 15.8171 7.0935 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0278 |
|
CaX 0 0 .25 .01 .0278 |
|
AlY .12150 .06075 -.3364 .783 .0087 |
|
LiY .12150 .06075 -.3364 .107 .0087 |
|
Mn2Y .12150 .06075 -.3364 .093 .0087 |
|
Fe2Y .12150 .06075 -.3364 .013 .0087 |
|
Ti4Y .12150 .06075 -.3364 .004 .0087 |
|
AlZ .29652 .26001 -.3646 .00795 |
|
SiT .19152 .18960 .0302 .918 .00585 |
|
AlT .19152 .18960 .0302 .042 .00585 |
|
BT .19152 .18960 .0302 .040 .00585 |
|
B .10969 .21937 .4801 .0084 |
|
O1 0 0 -.2049 .86 .0148 |
|
OH1 0 0 -.2049 .10 .0148 |
|
F1 0 0 -.2049 .04 .0148 |
|
O2 .06064 .12128 .5202 .0134 |
|
O3 .25794 .12897 -.4638 .0128 |
|
O4 .09530 .19060 .1038 .0133 |
|
O5 .18804 .09402 .1252 .0138 |
|
O6 .19336 .18311 -.1976 .0101 |
|
O7 .28715 .28675 .1038 .0093 |
|
O8 .20954 .27049 .4646 .0098 |
|
H3 .246 .1231 .415 .933 .054 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Na.58Ag.18Mg2.12Al6.98B3Si5.90O27.53OH3F.47 |
| |
London D, Ertl A, Hughes J M, Morgan VI G B, Fritz E A, Harms B S |
|
American Mineralogist 91 (2006) 680-684 |
|
Synthetic Ag-rich tourmaline: Structure and chemistry |
|
Note: Y(B) adjusted to satisfy symmetry constraint |
|
_database_code_amcsd 0004143 |
|
15.8995 15.8995 7.1577 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .75 .58 .0186 |
|
AgX 0 0 .75 .18 .0186 |
|
AlY .87520 .93760 .3440 .513 .0109 |
|
MgY .87520 .93760 .3440 .487 .0109 |
|
AlZ .70238 .73859 .3647 .89 .0063 |
|
MgZ .70238 .73859 .3647 .11 .0063 |
|
Si .80832 .81032 .9752 .983 .00571 |
|
Al .80832 .81032 .9752 .017 .00571 |
|
B .8903 .7806 .5220 .0083 |
|
OH1W 0 0 .2057 .53 .0114 |
|
F1W 0 0 .2057 .47 .0114 |
|
O2 .93904 .8781 .4877 .0123 |
|
O3V .7365 .86825 .4655 .0115 |
|
O4 .90628 .8126 .9039 .0115 |
|
O5 .8145 .90727 .8815 .0112 |
|
O6 .80489 .81525 .2000 .0092 |
|
O7 .71404 .71441 .8975 .0086 |
|
O8 .78999 .72960 .5356 .0098 |
|
H3 .743 .871 .563 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID3NEW |
|
_database_code_amcsd 0004246 |
|
15.8322 15.8322 7.1034 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .75 .57 .0069 |
|
NaX 0 0 .75 .29 .0069 |
|
AlY -.12340 -.06170 .3518 .47 .0104 |
|
LiY -.12340 -.06170 .3518 .44 .0104 |
|
Mn2+Y -.12340 -.06170 .3518 .02 .0104 |
|
AlZ -.29675 -.25965 .37670 .00810 |
|
SiT -.19203 -.19009 -.01194 .98 .00557 |
|
BT -.19203 -.19009 -.01194 .02 .00557 |
|
B -.10891 -.21782 -.4668 .0082 |
|
F1W 0 0 .2026 .76 .0365 |
|
O1W 0 0 .2026 .24 .0365 |
|
O2 -.05989 -.11978 -.4938 .0191 |
|
O3V -.26830 -.13415 .4783 .0129 |
|
O4 -.09253 -.18506 -.0866 .0106 |
|
O5 -.18439 -.092145 -.1081 .0109 |
|
O6 -.19564 -.18583 .2123 .0097 |
|
O7 -.28612 -.28547 -.09272 .00845 |
|
O8 -.20964 -.27022 -.4530 .0098 |
|
H1W -.0552 -.0276 .151 .08 .000 |
|
H3V -.267 -.1335 -.419 .041 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID6A1 |
|
_database_code_amcsd 0004247 |
|
15.8204 15.8204 7.0955 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .50 .0093 |
|
NaX 0 0 .25 .34 .0093 |
|
AlY .12266 .06133 -.3470 .52 .0104 |
|
LiY .12266 .06133 -.3470 .38 .0104 |
|
Fe2+Y .12266 .06133 -.3470 .02 .0104 |
|
Mn2+Y .12266 .06133 -.3470 .01 .0104 |
|
AlZ .29675 .25979 -.37409 .00827 |
|
SiT .19196 .19000 .01538 .96 .00611 |
|
BT .19196 .19000 .01538 .04 .00611 |
|
B .10895 .21790 .4698 .0082 |
|
F1W 0 0 -.2009 .56 .0325 |
|
O1W 0 0 -.2009 .44 .0325 |
|
O2 .05996 .11992 .4991 .0188 |
|
O3V .26689 .133445 -.4759 .0138 |
|
O4 .09279 .18558 .0900 .0112 |
|
O5 .18494 .09247 .1115 .0117 |
|
O6 .19538 .18539 -.2093 .00974 |
|
O7 .28627 .28561 .09517 .00873 |
|
O8 .20955 .27011 .45548 .00982 |
|
H1W .0538 .0269 -.145 .147 .000 |
|
H3V .263 .1315 .413 .049 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LID52 |
|
_database_code_amcsd 0004248 |
|
15.8119 15.8119 7.0925 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .25 .41 .0110 |
|
NaX 0 0 .25 .41 .0110 |
|
AlY .12240 .06120 -.34536 .54 .0102 |
|
LiY .12240 .06120 -.34536 .36 .0102 |
|
Mn2+Y .12240 .06120 -.34536 .01 .0102 |
|
Fe2+Y .12240 .06120 -.34536 .01 .0102 |
|
AlZ .29674 .25991 -.37294 .00815 |
|
SiT .19188 .18990 .01696 .95 .00605 |
|
BT .19188 .18990 .01696 .05 .00605 |
|
B .10895 .21790 .4713 .0083 |
|
F1W 0 0 -.2006 .51 .0303 |
|
O1W 0 0 -.2006 .49 .0303 |
|
O2 .05999 .11998 .5022 .0183 |
|
O3V .26596 .13298 -.4746 .0138 |
|
O4 .09304 .18608 .0913 .0113 |
|
O5 .18534 .09267 .1129 .0118 |
|
O6 .19522 .18508 -.20791 .00971 |
|
O7 .28630 .28569 .09613 .00872 |
|
O8 .20954 .27009 .45660 .00976 |
|
H1W .0543 .02715 -.146 .163 .000 |
|
H3V .263 .1315 .418 .052 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Elbaite |
|
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
|
Sample: LC1 |
|
_database_code_amcsd 0004249 |
|
15.8095 15.8095 7.0941 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .46 .0138 |
|
CaX 0 0 .25 .30 .0138 |
|
AlY .12250 .06125 -.3432 .61 .0099 |
|
LiY .12250 .06125 -.3432 .30 .0099 |
|
AlZ .29678 .26009 -.37143 .00846 |
|
SiT .19165 .18970 .01911 .93 .00651 |
|
BT .19165 .18970 .01911 .07 .00651 |
|
B .10909 .21818 .4732 .0083 |
|
F1W 0 0 -.2009 .50 .0275 |
|
O1W 0 0 -.2009 .50 .0275 |
|
O2 .06001 .12002 .5064 .0173 |
|
O3V .26455 .132275 -.4729 .0146 |
|
O4 .09329 .18658 .0932 .0118 |
|
O5 .18584 .09292 .1146 .0122 |
|
O6 .19487 .18469 -.2058 .00993 |
|
O7 .28619 .28565 .0973 .00912 |
|
O8 .20959 .27011 .4580 .00986 |
|
H1W .0529 .02645 -.140.167 .000 |
|
H3V .262 .131 .423 .047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Oxy-schorl |
| |
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Saxonian Erzegebirge, Germany |
|
_database_code_amcsd 0004995 |
|
15.929 15.929 7.183 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2250 .86 .0219 |
|
CaX 0 0 .2250 .02 .0219 |
|
KX 0 0 .2250 .02 .0219 |
|
AlY .12241 .06121 .63418 .543 .00765 |
|
FeY .12241 .06121 .63418 .410 .00765 |
|
TiY .12241 .06121 .63418 .037 .00765 |
|
MgY .12241 .06121 .63418 .010 .00765 |
|
ZnY .12241 .06121 .63418 .003 .00765 |
|
AlZ .29781 .26128 .60853 .842 .00541 |
|
MgZ .29781 .26128 .60853 .158 .00541 |
|
SiT .19157 .18968 -.00115 .99 .00525 |
|
AlT .19157 .18968 -.00115 .01 .00525 |
|
B .10999 .21998 .4526 .0068 |
|
O1 0 0 .7708 .81 .0224 |
|
OH1 0 0 .7708 .09 .0224 |
|
F1 0 0 .7708 .10 .0224 |
|
O2 .06101 .12202 .48628 .0130 |
|
O3 .26269 .13135 .50873 .0158 |
|
H3 .252 .126 .397 .042 |
|
O4 .09338 .18676 .07027 .01067 |
|
O5 .18558 .09279 .09176 .01051 |
|
O6 .19525 .18501 .77532 .00927 |
|
O7 .28521 .28528 .07611 .00885 |
|
O8 .20931 .27011 .43816 .01020 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dravite |
|
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Parigi, Dora Maira, Western Alps, Italy |
|
_database_code_amcsd 0004996 |
|
15.935 15.935 7.201 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2396 .90 .0214 |
|
CaX 0 0 .2396 .05 .0214 |
|
KX 0 0 .2396 .01 .0214 |
|
MgY .12571 .06286 .63044 .593 .0081 |
|
AlY .12571 .06286 .63044 .330 .0081 |
|
FeY .12571 .06286 .63044 .040 .0081 |
|
TiY .12571 .06286 .63044 .010 .0081 |
|
AlZ .29806 .26164 .61163 .85 .00622 |
|
MgZ .29806 .26164 .61163 .15 .00622 |
|
SiT .19191 .19000 -.00089 .00548 |
|
B .10979 .21958 .4546 .0069 |
|
OH1 0 0 .7720 .72 .0144 |
|
F1 0 0 .7720 .28 .0144 |
|
O2 .06094 .12188 .4848 .0111 |
|
O3 .26529 .13265 .5106 .0127 |
|
H3 .259 .130 .400 .049 |
|
O4 .09305 .1861 .0694 .0107 |
|
O5 .18401 .092 .0909 .0106 |
|
O6 .19604 .18586 .77669 .00877 |
|
O7 .28501 .28490 .07900 .00867 |
|
O8 .20952 .27018 .44103 .00961 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
|
Locality: Lago di Cignana, Western Alps, Italy |
|
_database_code_amcsd 0004997 |
|
15.945 15.945 7.210 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2325 .84 .0204 |
|
CaX 0 0 .2325 .09 .0204 |
|
KX 0 0 .2325 .01 .0204 |
|
MgY .12426 .06213 .63250 .547 .00810 |
|
AlY .12426 .06213 .63250 .263 .00810 |
|
FeY .12426 .06213 .63250 .160 .00810 |
|
MnY .12426 .06213 .63250 .020 .00810 |
|
TiY .12426 .06213 .63250 .007 .00810 |
|
NiY .12426 .06213 .63250 .007 .00810 |
|
ZnY .12426 .06213 .63250 .003 .00810 |
|
AlZ .29802 .26159 .61070 .833 .00545 |
|
MgZ .29802 .26159 .61070 .167 .00545 |
|
SiT .19175 .18990 -.00135 .997 .00520 |
|
AlT .19175 .18990 -.00135 .003 .00520 |
|
B .10987 .21974 .4536 .0065 |
|
OH1 0 0 .7712 .65 .0135 |
|
F1 0 0 .7712 .35 .0135 |
|
O2 .06106 .12212 .48347 .01023 |
|
O3 .26510 .13255 .50989 .0125 |
|
H3 .256 .128 .400 .045 |
|
O4 .09310 .1862 .06931 .01017 |
|
O5 .18433 .09217 .09025 .01010 |
|
O6 .19581 .18592 .77662 .00840 |
|
O7 .28489 .28483 .07811 .00850 |
|
O8 .20927 .27006 .44018 .00962 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Shearer C K, Yates M G, Guidotti C V |
|
The Canadian Mineralogist 38 (2000) 861-868 |
|
Tetrahedrally coordinated boron in a tourmaline: Boron-rich olenite from |
|
Stoffhutte, Koralpe, Austria |
|
Locality: Stoffhutte, Koralpe, Austria |
|
_database_code_amcsd 0005693 |
|
15.731 15.731 7.0638 90 90 120 R3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX 0 0 1/4 .294 1.25 .00179 .00179 .0055 .000895 0 0 |
|
CaX 0 0 1/4 .400 1.25 .00179 .00179 .0055 .000895 0 0 |
|
AlY .12153 .060765 -.3248 .808 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
LiY .12153 .060765 -.3248 .119 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
AlZ .29662 .26057 -.35807 .986 .579 .00076 .00088 .00271 .00043 -.000165 .000115 |
|
SiT .19113 .18921 .03576 .809 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
BT .19113 .18921 .03576 .177 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
AlT .19113 .18921 .03576 .014 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
B .10896 .21792 .4856 .64 .00087 .00082 .0034 .00041 .0000 .0000 |
|
O1 0 0 -.1937 .63 1.08 .00153 .00153 .0049 .000765 0 0 |
|
OH1 0 0 -.1937 .31 1.08 .00153 .00153 .0049 .000765 0 0 |
|
F1 0 0 -.1937 .06 1.08 .00153 .00153 .0049 .000765 0 0 |
|
O2 .05978 .11956 .5249 1.10 .00168 .00069 .0065 .000345 .00005 .00010 |
|
O3 .2591 .12955 -.4590 1.00 .00229 .00124 .0032 .001145 -.00035 -.000175 |
|
O4 .09386 .18772 .1105 1.12 .00139 .00189 .0052 .000945 -.00025 -.00050 |
|
O5 .1858 .0929 .1314 1.13 .00202 .00143 .0050 .00101 .0001 .00005 |
|
O6 .19334 .18281 -.1913 .74 .00092 .00095 .0037 .00038 -.0000 -.0001 |
|
O7 .28671 .28591 .1098 .76 .00103 .00101 .0034 .00042 .00025 -.0001 |
|
O8 .20940 .26979 .4705 .72 .00076 .00108 .0040 .000455 .0002 .00055 |
|
H3 .248 .124 .423 1.35 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
The Canadian Mineralogist 41 (2003) 1363-1370 |
|
Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: |
|
A chemical, structural, and infrared spectroscopic study |
|
Sample: GOS1, from the sample rim |
|
Locality: Goslarn, Austria |
|
_database_code_amcsd 0005892 |
|
15.9238 15.9238 7.1822 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 3/4 .71 .02078 |
|
CaX 0 0 3/4 .10 .02078 |
|
KX 0 0 3/4 .001 .02078 |
|
AlY .876224 .938112 .34550 .473 .01107 |
|
MgY .876224 .938112 .34550 .367 .01107 |
|
Fe2+Y .876224 .938112 .34550 .130 .01107 |
|
TiY .876224 .938112 .34550 .030 .01107 |
|
AlZ .702205 .738561 .368213 .823 .00745 |
|
MgZ .702205 .738561 .368213 .177 .00745 |
|
SiT .808262 .810184 .978909 .992 .00682 |
|
AlT .808262 .810184 .978909 .008 .00682 |
|
B .890153 .78031 .52491 .00852 |
|
O1 0 0 .20634 .92 .01565 |
|
OH1 0 0 .20634 .05 .01565 |
|
F1 0 0 .20634 .03 .01565 |
|
O2 .939088 .87818 .49222 .01398 |
|
O3 .73740 .868699 .46854 .01517 |
|
O4 .906579 .81316 .90805 .01235 |
|
O5 .81520 .907599 .88624 .01260 |
|
O6 .804646 .814916 .20231 .01067 |
|
O7 .714675 .714836 .90080 .01027 |
|
O8 .790650 .729803 .53925 .01139 |
|
H3 .7391 .8695 .5862 .043 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Hughes J M, Brandstatter F, Dyar M D, Prasad P S R |
|
The Canadian Mineralogist 41 (2003) 1363-1370 |
|
Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: |
|
A chemical, structural, and infrared spectroscopic study |
|
Sample: GOS2, from the sample core |
|
Locality: Goslarn, Austria |
|
_database_code_amcsd 0005893 |
|
15.9149 15.9149 7.1757 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 3/4 .64 .02086 |
|
CaX 0 0 3/4 .11 .02086 |
|
KX 0 0 3/4 .002 .02086 |
|
AlY .876540 .938270 .34333 .527 .01095 |
|
MgY .876540 .938270 .34333 .303 .01095 |
|
Fe2+Y .876540 .938270 .34333 .137 .01095 |
|
TiY .876540 .938270 .34333 .033 .01095 |
|
AlZ .702229 .738604 .366903 .817 .00768 |
|
MgZ .702229 .738604 .366903 .183 .00768 |
|
SiT .808301 .810218 .977247 .00705 |
|
B .89020 .78039 .52361 .00889 |
|
O1 0 0 .20486 .90 .01615 |
|
OH1 0 0 .20486 .07 .01615 |
|
F1 0 0 .20486 .03 .01615 |
|
O2 .939142 .87828 .49029 .01410 |
|
O3 .73798 .86899 .46729 .01588 |
|
O4 .906525 .81305 .90640 .01258 |
|
O5 .81492 .907462 .88442 .01288 |
|
O6 .804886 .815142 .20088 .01099 |
|
O7 .714600 .714794 .89954 .01051 |
|
O8 .790756 .729849 .53808 .01183 |
|
H3 .7405 .8703 .5831 .044 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Pertlik F, Dyar M D, Prowatke S, Hughes J M, Ludwig T, Bernhardt H J |
|
The Canadian Mineralogist 42 (2004) 1057-1063 |
|
Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria: |
|
Structural, chemical, and Mossbauer data |
|
Locality: Eibenstein, Austria |
|
_database_code_amcsd 0005974 |
|
15.938 15.938 7.136 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 .7798 .52 .0276 .0276 .0248 .0138 0 0 |
|
CaX 0 0 .7798 .01 .0276 .0276 .0248 .0138 0 0 |
|
AlY .72829 .45658 .7055 .54 .0085 .0108 .0172 .0054 .0016 .0032 |
|
FeY2+ .72829 .45658 .7055 .276 .0085 .0108 .0172 .0054 .0016 .0032 |
|
MnY2+ .72829 .45658 .7055 .14 .0085 .0108 .0172 .0054 .0016 .0032 |
|
LiY .72829 .45658 .7055 .016 .0085 .0108 .0172 .0054 .0016 .0032 |
|
TiY4+ .72829 .45658 .7055 .01 .0085 .0108 .0172 .0054 .0016 .0032 |
|
AlZ .70225 .73887 .3913 .978 .0082 .0089 .0084 .0043 .0000 .0007 |
|
MgZ .70225 .73887 .3913 .022 .0082 .0089 .0084 .0043 .0000 .0007 |
|
SiT .80812 .81014 0 .955 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
AlT .80812 .81014 0 .028 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
FeT3+ .80812 .81014 0 .017 .0078 .0075 .0089 .0039 -.0002 -.0005 |
|
B .88999 .77998 .5474 .0094 .0093 .0108 .00465 .00025 .0005 |
|
O 0 0 .2269 .86 .0429 .0429 .0130 .02145 0 0 |
|
F 0 0 .2269 .14 .0429 .0429 .0130 .02145 0 0 |
|
O1 .93851 .87703 .5124 .0292 .0084 .0156 .0042 .00005 .0001 |
|
O2 .90588 .81175 .9301 .0102 .0175 .0138 .00875 -.00075 -.0015 |
|
O3 .79936 .59872 .8258 .0143 .0295 .0099 .01475 .0002 .0004 |
|
O4 .42739 .85479 .5743 .0108 .0184 .0134 .0092 -.0003 -.0006 |
|
O5 .80330 .81389 .2260 .0120 .0134 .0088 .0062 .0001 -.0004 |
|
O6 .71398 .71363 .9226 .0091 .0092 .0102 .0030 -.0001 -.0013 |
|
O7 .79027 .72932 .5615 .0086 .0136 .0126 .0060 .0011 .0032 |
|
H .793 .585 .961 .32 .0306 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Olenite |
|
Cempirek J, Novak M, Ertl A, Hughes J M, Rossman G R, Dyar D |
|
The Canadian Mineralogist 44 (2006) 23-60 |
|
Fe-bearing olenite with tetrahedrally coordinated Al |
|
from an abyssal pegmatite at Kutna Hora, Czech Republic: |
|
structure, crystal chemistry, optical and xanes spectra |
|
Locality: Kutna Hora, Czech Republic |
|
_database_code_amcsd 0006068 |
|
15.8838 15.8838 7.1056 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .75 .54 .0206 |
|
CaX 0 0 .75 .14 .0206 |
|
KX 0 0 .75 .01 .0206 |
|
AlY .87802 .93901 .3328 .72 .00940 |
|
Fe2+Y .87802 .93901 .3328 .26 .00940 |
|
Mn2+Y .87802 .93901 .3328 .02 .00940 |
|
AlZ .70287 .73930 .3595 .98 .00786 |
|
MgZ .70287 .73930 .3595 .02 .00786 |
|
SiT .80806 .81011 .9667 .93 .00628 |
|
AlT .80806 .81011 .9667 .07 .00628 |
|
B .89037 .78075 .5162 .0094 |
|
O1W 0 0 .1965 .99 .0226 |
|
FW 0 0 .1965 .01 .0226 |
|
O2 .93921 .87843 .4794 .0164 |
|
O3V .73841 .86921 .4605 .0142 |
|
O4 .90572 .81145 .8948 .0141 |
|
O5 .81252 .90626 .8717 .0147 |
|
O6 .80460 .81545 .1944 .0110 |
|
O7 .71296 .71324 .8910 .00969 |
|
O8 .79067 .72982 .5309 .0107 |
|
H3V .741 .8703 .580 .415 .059 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pertlikite |
| |
Ertl A, Dyar M D, Hughes J M, Brandstatter F, Gunter M E, Prem M, Peterson R C |
| |
The Canadian Mineralogist 46 (2008) 661-669 |
|
Pertlikite, a new tetragonal Mg-rich member of the voltaite group from Madeni Zakh, Iran |
|
Locality: Madeni Zakh, Iran |
|
_database_code_amcsd 0006190 |
|
19.2080 19.2080 27.2158 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso |
|
S1 .961717 .013192 .881669 .01256 |
|
S2 .855855 .093187 .012190 .01247 |
|
S3 .106330 .130649 .974391 .01271 |
|
Fe1 0 0 0 .01297 |
|
Fe2 .794208 0 3/4 .719 .01341 |
|
Mg2 .794208 0 3/4 .281 .01341 |
|
Mg3 .852518 .147397 .897173 .742 .01346 |
|
Fe3 .852518 .147395 .897173 .258 .01346 |
|
Al 0 .25 .125 .01185 |
|
K .00007 0 3/4 .03164 |
|
O1 .94004 -.05104 .85726 .0293 |
|
O2 .00530 .05430 .84827 .0234 |
|
O3 .89868 .05176 .89558 .0230 |
|
O4 .00262 -.00378 .92639 .0193 |
|
O5 .85269 .13891 .05494 .0290 |
|
O6 .82315 .12712 .96982 .0229 |
|
O7 .81894 .02821 .02480 .0233 |
|
O8 .92949 .07699 .00033 .0190 |
|
O9 .08850 .19804 .99582 .0298 |
|
O10 .08053 .12894 .92374 .0239 |
|
O11 .18249 .12144 .97558 .0245 |
|
O12 .07354 .07388 .00326 .0192 |
|
O13 .94033 .19736 .92101 .0247 |
|
H13A .9744 .1777 .9208 .065 |
|
H13B .9316 .2257 .9413 .073 |
|
O14 .79926 .04325 .68084 .0252 |
|
H14A .8389 .0467 .6716 .079 |
|
H14B .7683 .0688 .6744 .106 |
|
O15 .75947 .10238 .87849 .0248 |
|
H15A .7275 .1120 .8966 .064 |
|
H15B .752 .096 .8505 .103 |
|
Wat1 -.0137 .1927 .17896 .225 .0198 |
|
Wat2 -.0190 .1585 .10342 .222 .0210 |
|
Wat3 -.0759 .2820 .08946 .236 .0227 |
|
Wat4 .0579 .2639 .17991 .221 .0216 |
|
Wat5 .0898 .2685 .10361 .233 .0213 |
|
Wat6 -.0332 .3269 .08894 .228 .0218 |
|
Wat7 0 .25 .1946 .129 .023 |
|
Wat8 -.0697 .3197 .125 .134 .024 |
|
Wat9 .0694 .3194 .125 .133 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Hughes J M, Rakovan J, Ertl A, Rossman G R, Baksheev I, Bernhardt H-J |
| |
The Canadian Mineralogist 49 (2011) 29-40 |
|
Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned |
|
triclinic Ni-bearing dravite |
|
Locality: Berezovskoe gold deposit, Middle Urals, Russia |
|
_database_code_amcsd 0018457 |
|
15.903 15.9118 7.2304 90.063 89.793 119.742 P1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 .25 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .8575 .5240 .3510 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .6633 .5231 .3490 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .4768 .3355 .3508 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .8564 .3355 .3542 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .6634 .1423 .3543 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .4762 .1422 .3527 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .6049 .3939 -.0125 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .6049 .3939 -.0125 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .6049 .3939 -.0125 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .7891 .3944 -.0098 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .7891 .3944 -.0098 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .7891 .3944 -.0098 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .7891 .3944 -.0098 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .6043 .2097 -.0088 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .6043 .2097 -.0088 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .6043 .2097 -.0088 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .6043 .2097 -.0088 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .6305 .7026 .2960 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .6305 .7026 .2960 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .9632 .7024 .6287 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .9632 .7024 .6287 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .9632 .7024 .6287 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .0715 .7027 .2956 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .0715 .7027 .2956 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .0715 .7027 .2956 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .7381 .7022 .6284 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .7381 .7022 .6284 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .7381 .7022 .6284 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .7381 .7022 .6284 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .7381 .7022 .6284 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .9629 .2613 .6289 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .9629 .2613 .6289 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .9629 .2613 .6289 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .9643 .5948 -.0380 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .9643 .5948 -.0380 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .9643 .5948 -.0380 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .7805 .8905 .4686 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .7752 .5522 -.1934 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .1099 .8892 .4754 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .6653 .3307 .1192 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .5448 .2700 -.1586 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .7259 .2699 -.1543 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .7278 .4539 -.1604 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .5351 .4637 -.1352 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .529 .453 -.229 .00 |
|
O3b .8763 .7469 .5287 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .874 .744 .45 .02 |
|
O3c .9251 .4605 -.1374 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .926 .460 -.251 .05 |
|
O4a .7604 .5238 .4208 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .4790 .2406 .4255 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .7567 .2427 .4238 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .5747 .4248 .4424 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .5714 .1463 .4485 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .8500 .4268 .4448 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .8593 .5164 .1291 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .6548 .5166 .1270 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .6554 .1393 .1324 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .8617 .3445 .1315 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .4813 .3429 .1281 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .4853 .1433 .1326 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .6611 .6166 .4212 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .9524 .6191 .4257 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .6685 .0509 .4318 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .3797 .0487 .4263 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .3823 .3351 .4271 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .9468 .3308 .4354 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .8742 .6019 -.2133 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .0620 .7907 .4573 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .2088 .9398 .4606 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .7297 .7924 .4452 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .0652 .6082 .1286 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .0591 .2678 .4669 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
Na1 .3333 .6667 .9167 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .1908 .1907 .0177 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .9966 .1898 .0157 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .8101 .0022 .0175 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .1897 .0022 .0209 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .9967 .8090 .0210 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .8095 .8089 .0194 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .9382 .0606 .6542 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .9382 .0606 .6542 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .9382 .0606 .6542 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .1224 .0611 .6569 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .1224 .0611 .6569 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .1224 .0611 .6569 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .1224 .0611 .6569 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .9376 .8764 .6579 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .9376 .8764 .6579 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .9376 .8764 .6579 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .9376 .8764 .6579 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .9638 .3693 .9627 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .9638 .3693 .9627 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .2965 .3691 .2954 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .2965 .3691 .2954 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .2965 .3691 .2954 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .4048 .3694 .9623 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .4048 .3694 .9623 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .4048 .3694 .9623 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .0714 .3689 .2951 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .0714 .3689 .2951 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .0714 .3689 .2951 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .0714 .3689 .2951 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .0714 .3689 .2951 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .2962 .9280 .2956 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .2962 .9280 .2956 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .2962 .9280 .2956 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .2976 .2615 .6287 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .2976 .2615 .6287 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .2976 .2615 .6287 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .1138 .5572 .1353 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .1085 .2189 .4733 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .4432 .5559 .1421 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .9986 .9974 .7859 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .8781 .9367 .5081 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .0592 .9366 .5124 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .0611 .1206 .5063 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .8684 .1304 .5315 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .8623 .1197 .4377 .00 |
|
O3b .2096 .4136 .1954 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .2073 .4107 .1167 .02 |
|
O3c .2584 .1272 .5293 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .2593 .1267 .4157 .05 |
|
O4a .0937 .1905 .0875 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .8123 .9073 .0922 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .0900 .9094 .0905 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .9080 .0915 .1091 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .9047 .8130 .1152 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .1833 .0935 .1115 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .1926 .1831 .7958 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .9881 .1833 .7937 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .9887 .8060 .7991 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .1950 .0112 .7982 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .8146 .0096 .7948 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .8186 .8100 .7993 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .9944 .2833 .0879 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .2857 .2858 .0924 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .0018 .7176 .0985 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .7130 .7154 .0930 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .7156 .0018 .0938 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .2801 .9975 .1021 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .2075 .2686 .4534 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .3953 .4574 .1240 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .5421 .6065 .1273 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .0630 .4591 .1119 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .3985 .2749 .7953 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .3924 .9345 .1336 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
Na1 .6667 .3333 .5833 .96 .0267 .026 .028 .026 .013 .005 .004 |
|
Sia .5242 .8573 .6843 .0047 .0037 .0046 .0053 .0016 .0009 .0011 |
|
Sib .3300 .8564 .6823 .0050 .0051 .0047 .0057 .0030 .0010 .0004 |
|
Sic .1435 .6688 .6841 .0052 .0043 .0049 .0064 .0024 .0015 .0012 |
|
Sid .5231 .6688 .6875 .0049 .0046 .0052 .0056 .0029 .0002 .0017 |
|
Sie .3301 .4756 .6876 .0048 .0039 .0051 .0057 .0024 .0008 .0020 |
|
Sif .1429 .4755 .6860 .0049 .0044 .0048 .0060 .0028 .0016 .0020 |
|
AlaY .2716 .7272 .3208 .292 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
MgaY .2716 .7272 .3208 .344 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
FeaY .2716 .7272 .3208 .364 .0084 .0060 .0070 .0105 .0020 .0021 -.0003 |
|
AlbY .4558 .7277 .3235 .375 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
MgbY .4558 .7277 .3235 .344 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
CrbY .4558 .7277 .3235 .022 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
FebY .4558 .7277 .3235 .269 .0078 .0072 .0060 .0110 .0038 -.0009 .0015 |
|
AlcY .2710 .5430 .3245 .399 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
MgcY .2710 .5430 .3245 .098 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
CrcY .2710 .5430 .3245 .238 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
NicY .2710 .5430 .3245 .112 .0071 .0050 .0072 .0096 .0036 .0029 .0041 |
|
AlaZ .2972 .0359 .6293 .936 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
MgaZ .2972 .0359 .6293 .064 .0034 .0031 .0033 .0036 .0014 .0005 -.0000 |
|
AlbZ .6299 .0357 .9620 .801 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
MgbZ .6299 .0357 .9620 .166 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
NibZ .6299 .0357 .9620 .033 .0048 .0037 .0051 .0053 .0020 .0021 .0019 |
|
AlcZ .7382 .0360 .6289 .946 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
MgcZ .7382 .0360 .6289 .045 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
NicZ .7382 .0360 .6289 .010 .0046 .0052 .0050 .0040 .0029 .0006 .0006 |
|
AldZ .4048 .0355 .9617 .387 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
MgdZ .4048 .0355 .9617 .542 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
VdZ .4048 .0355 .9617 .031 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
FedZ .4048 .0355 .9617 .002 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
TidZ .4048 .0355 .9617 .039 .0065 .0066 .0072 .0073 .0047 .0011 .0021 |
|
AleZ .6296 .5946 .9622 .915 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
MgeZ .6296 .5946 .9622 .082 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
NieZ .6296 .5946 .9622 .003 .0043 .0027 .0059 .0047 .0024 .0018 .0024 |
|
AlfZ .6310 .9281 .2953 .629 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
MgfZ .6310 .9281 .2953 .316 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
CrfZ .6310 .9281 .2953 .055 .0061 .0060 .0080 .0057 .0044 .0003 .0018 |
|
B1 .4472 .2238 .8019 .0082 .009 .010 .008 .006 .002 .003 |
|
B2 .4419 .8855 .1399 .0075 .006 .009 .007 .004 .002 .002 |
|
B3 .7766 .2225 .8087 .0081 .006 .006 .010 .001 .003 .005 |
|
O1a .3320 .6640 .4525 .0127 .013 .014 .013 .008 .001 -.001 |
|
O2a .2115 .6033 .1747 .0010 .006 .011 .010 .003 .002 .003 |
|
O2b .3926 .6032 .1790 .0100 .010 .012 .011 .008 .001 .003 |
|
O2c .3945 .7872 .1729 .0099 .009 .007 .012 .003 .002 -.000 |
|
O3a .2018 .7970 .1981 .0125 .014 .012 .003 .000 .001 .001 |
|
H3a .1957 .7863 .1043 .00 |
|
O3b .5430 .0802 .8620 .0148 .017 .026 .005 .013 .001 -.000 |
|
H3b .5407 .0773 .7833 .02 |
|
O3c .5918 .7938 .1959 .0138 .029 .020 .003 .020 .000 .001 |
|
H3c .5927 .7933 .0823 .05 |
|
O4a .4271 .8571 .7541 .0100 .005 .016 .011 .007 .001 .000 |
|
O4b .1457 .5739 .7588 .0114 .021 .007 .011 .011 .004 .004 |
|
O4c .4234 .5760 .7571 .0111 .006 .008 .010 -.003 .002 .003 |
|
O5a .2414 .7581 .7757 .0091 .005 .006 .012 -.001 -.003 .003 |
|
O5b .2381 .4796 .7818 .0093 .008 .015 .009 .009 .001 .003 |
|
O5c .5167 .7601 .7781 .0093 .013 .007 .011 .007 .002 .002 |
|
O6a .5260 .8497 .4624 .0110 .014 .015 .007 .009 .000 -.001 |
|
O6b .3215 .8499 .4603 .0098 .011 .011 .006 .004 -.002 -.002 |
|
O6c .3221 .4726 .4657 .0089 .011 .012 .005 .007 -.001 .003 |
|
O6d .5284 .6778 .4648 .007 .009 .009 .004 .005 .002 .003 |
|
O6e .1480 .6762 .4614 .0085 .008 .009 .008 .004 .002 .003 |
|
O6f .1520 .4766 .4659 .0098 .011 .011 .008 .006 .005 .003 |
|
O7a .3278 .9499 .7545 .0102 .014 .008 .011 .007 .002 .001 |
|
O7b .6191 .9524 .7590 .0081 .006 .006 .007 -.001 -.002 -.002 |
|
O7c .3352 .3842 .7651 .0088 .010 .008 .011 .006 .004 .007 |
|
O7d .0464 .3820 .7596 .0072 .005 .007 .009 .003 .002 .002 |
|
O7e .0490 .6684 .7604 .0107 .004 .014 .014 .005 .003 -.001 |
|
O7f .6135 .6641 .7687 .0103 .011 .014 .010 .009 -.003 .001 |
|
O8a .5409 .9352 .1200 .0123 .007 .012 .020 .006 .006 .006 |
|
O8b .7287 .1240 .7906 .0100 .007 .008 .012 .001 .003 -.003 |
|
O8c .8755 .2731 .7939 .0084 .007 .005 .010 .001 .003 -.001 |
|
O8d .3964 .1257 .7785 .0103 .011 .008 .015 .006 -.004 -.002 |
|
O8e .7319 .9415 .4619 .0100 .011 .007 .014 .006 -.002 -.001 |
|
O8f .7258 .6011 .8002 .0107 .009 .009 .015 .0054 .0032 .0038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Olenite |
|
Schreyer W, Hughes J M, Bernhardt H J, Kalt A, Prowatke S, Ertl A |
| |
European Journal of Mineralogy 14 (2002) 935-942 |
|
Reexamination of olenite from the type locality: detection of boron |
|
in tetrahedral coordination |
|
Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 |
|
Locality: Olenii Range, Kola Peninsula, Russia |
|
_database_code_amcsd 0006949 |
|
15.792 15.792 7.0878 90 90 120 R3m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .25 .541 1.81 .0240 .0240 .021 .012 0 0 |
|
CaX 0 0 .25 .023 1.81 .0240 .0240 .021 .012 0 0 |
|
AlY .27260 .54520 .3260 .691 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
LiY .27260 .54520 .3260 .210 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
MnY .27260 .54520 .3260 .029 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
FeY .27260 .54520 .3260 .014 .67 .0067 .0086 .0109 .0043 .0013 .0026 |
|
AlZ .29652 .25998 .63031 .612 .0073 .0090 .0069 .00407 .0007 -.0002 |
|
SiT .19171 .18969 .02370 .909 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
BT .19171 .18969 .02370 .067 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
AlT .19171 .18969 .02370 .024 .402 .0051 .00493 .0050 .00237 -.0001 -.0006 |
|
B .10907 .21814 .4752 .66 .0091 .0104 .0061 .0052 -.0001 -.0002 |
|
OH1 0 0 .7940 .832 1.55 .0232 .0232 .012 .0116 0 0 |
|
F1 0 0 .7940 .161 1.55 .0232 .0232 .012 .0116 0 0 |
|
O1 0 0 .7940 .006 1.55 .0232 .0232 .012 .0116 0 0 |
|
Cl1 0 0 .7940 .001 1.55 .0232 .0232 .012 .0116 0 0 |
|
O2 .06031 .12062 .5141 1.13 .0178 .0081 .0138 .00405 .0002 .0004 |
|
O3 .2605 .13025 .5298 1.08 .0244 .0130 .0075 .0122 -.0007 -.00035 |
|
O4 .09467 .18934 .0966 .95 .0106 .0170 .0107 .0085 -.0007 -.0014 |
|
O5 .1874 .0937 .1186 1.00 .0183 .0109 .0114 .00915 .0006 .0003 |
|
O6 .19402 .18334 .7960 .77 .0100 .0099 .0081 .0041 .0006 .0000 |
|
O7 .28704 .28646 .0985 .71 .0089 .0084 .0077 .0029 .0003 -.0012 |
|
O8 .20938 .27003 .4592 .76 .0076 .0111 .0102 .0046 .0003 .0023 |
|
H3 .205 .410 .085 -.24 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Ertl A, Schuster R, Prowatke S, Brandstatter F, Ludwig T, Bernhardt H J, Koller F, Hughes J M |
| |
European Journal of Mineralogy 16 (2004) 551-560 |
|
Mn-rich tourmaline and fluorapatite in a Variscan pegmatite |
|
from Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
Locality: Eibenstein an der Thaya, Bohemian massif, Lower Austria |
|
_database_code_amcsd 0007078 |
|
15.9158 15.9158 7.1201 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .84 .0276 |
|
CaX 0 0 .25 .03 .0276 |
|
KX 0 0 .25 .01 .0276 |
|
AlY .12372 .06186 -.3537 .48 .0113 |
|
Mn2+Y .12372 .06186 -.3537 .31 .0113 |
|
LiY .12372 .06186 -.3537 .18 .0113 |
|
Fe2+Y .12372 .06186 -.3537 .02 .0113 |
|
TiY .12372 .06186 -.3537 .01 .0113 |
|
AlZ .29774 .26107 -.3694 .00761 |
|
SiT .19196 .19001 .0196 .96 .00663 |
|
AlT .19196 .19001 .0196 .04 .00663 |
|
B .10984 .21968 .4736 .0082 |
|
F1 0 0 -.2003 .54 .0430 |
|
OH1 0 0 -.2003 .37 .0430 |
|
O1 0 0 -.2003 .09 .0430 |
|
O2 .06110 .12220 .5022 .0213 |
|
O3V .26752 .13376 -.4715 .0128 |
|
O4 .09337 .18674 .0906 .0106 |
|
O5 .18708 .09354 .1130 .0114 |
|
O6 .19707 .18690 -.2057 .0098 |
|
O7 .28589 .28612 .0993 .0083 |
|
O8 .20995 .27077 .4601 .0101 |
|
H3V .267 .1335 .416 .017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dravite |
|
Marschall H R, Ertl A, Hughes J M, McCammon C A |
| |
European Journal of Mineralogy 16 (2004) 817-823 |
|
Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, |
|
associated with omphacite, from Syros, Greece: chemistry and structure |
|
Sample: SY309B |
|
Locality: Syros, Greece |
|
_database_code_amcsd 0007080 |
|
15.9443 15.9443 7.2094 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .25 .96 .0245 |
|
CaX 0 0 .25 .02 .0245 |
|
MgY .12515 .062575 -.3614 .43 .0112 |
|
AlY .12515 .062575 -.3614 .33 .0112 |
|
Fe2+Y .12515 .062575 -.3614 .15 .0112 |
|
Fe3+Y .12515 .062575 -.3614 .06 .0112 |
|
TiY .12515 .062575 -.3614 .02 .0112 |
|
AlZ .29829 .26178 -.3812 .82 .0077 |
|
MgZ .29829 .26178 -.3812 .18 .0077 |
|
SiT .19184 .18997 .0060 .97 .0057 |
|
BT .19184 .18997 .0060 .03 .0057 |
|
B .11005 .22010 .4618 .0091 |
|
OH1 0 0 -.2196 .93 .0162 |
|
F1 0 0 -.2196 .07 .0162 |
|
O2 .06101 .12202 .4917 .0141 |
|
O3 .2654 .1327 -.4816 .0140 |
|
O4 .09298 .18596 .0755 .0124 |
|
O5 .1840 .0920 .0966 .0126 |
|
O6 .19632 .18627 -.2160 .0108 |
|
O7 .28478 .28470 .0860 .0105 |
|
O8 .20952 .27031 .4477 .0119 |
|
H3 .266 .133 .389 .02 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Rancieite |
|
Ertl A, Pertlik F, Prem M, Post J E, Kim S J, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 163-172 |
|
Rancieite crystals from Friesach, Carinthia, Austria |
|
Note: Birnessite group |
|
Locality: Friesach, Carinthia, Austria |
|
_database_code_amcsd 0007090 |
|
2.845 2.845 7.485 90 90 120 P-3 |
|
atom x y z occ Biso |
|
Ca .5 0 .5 .53 1.40 |
|
Mn4+ 0 0 0 1/6 1.40 |
|
O1 1/3 2/3 .140 1/3 1.40 |
|
O2 0 0 .5 .32 1.40 |
|
O3 2/3 1/3 .380 .60 1.40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
|
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
|
and infra-red spectroscopy |
|
Sample: DUM1 |
|
Locality: Gfohl unit, Lower Austria |
|
_database_code_amcsd 0007091 |
|
4.6900 11.7875 20.1823 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
AlM1 .6024 .75 .74985 .78 .0271 |
|
MgM1 .6024 .75 .74985 .09 .0271 |
|
TiM1 .6024 .75 .74985 .01 .0271 |
|
AlM2 .05807 .11044 .472510 .93 .00578 |
|
TiM2 .05807 .11044 .472510 .03 .00578 |
|
AlM3 .44028 .00893 .568913 .94 .00587 |
|
FeM3 .44028 .00893 .568913 .02 .00587 |
|
AlM4 .44231 .14142 .711001 .98 .00753 |
|
SiT1 .58715 .25 .40541 .85 .00717 |
|
AlT1 .58715 .25 .40541 .15 .00717 |
|
SiT2 .91289 -.02418 .671678 .995 .00710 |
|
AlT2 .91289 -.02418 .671678 .005 .00710 |
|
B .2749 .25 .58386 .0088 |
|
O1 .8769 .25 .45419 .0102 |
|
O2 .3375 .25 .64938 .723 .0110 |
|
OH2 .3375 .25 .64938 .27 .0110 |
|
F2 .3375 .25 .64938 .007 .0110 |
|
O3 .39605 .13933 .42443 .00916 |
|
O4 .09935 .06414 .71730 .00947 |
|
O5 .10440 -.05002 .60651 .00905 |
|
O6 .61931 .04612 .64971 .01037 |
|
O7 .8507 -.13869 .71307 .723 .01500 |
|
OH7 .8507 -.13869 .71307 .27 .01500 |
|
F7 .8507 -.13869 .71307 .007 .01500 |
|
O8 .6511 .25 .32635 .0151 |
|
O9 .24556 .14885 .55201 .00975 |
|
O10 .7387 .25 .72778 .0112 |
|
O11 .74983 .03358 .51196 .00821 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dumortierite |
|
Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
| |
European Journal of Mineralogy 17 (2005) 173-183 |
|
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
|
and infra-red spectroscopy |
|
Sample: DUM2 |
|
Locality: Gfohl unit, Lower Austria |
|
_database_code_amcsd 0007092 |
|
4.6948 11.8037 20.2106 90 90 90 Pnma |
|
atom x y z occ Uiso |
|
AlM1 .6045 .75 .74985 .74 .0277 |
|
MgM1 .6045 .75 .74985 .12 .0277 |
|
TiM1 .6045 .75 .74985 .01 .0277 |
|
AlM2 .05808 .11043 .472535 .94 .00568 |
|
TiM2 .05808 .11043 .472535 .01 .00568 |
|
FeM2 .05808 .11043 .472535 .01 .00568 |
|
AlM3 .44026 .00893 .568892 .93 .00550 |
|
TiM3 .44026 .00893 .568892 .03 .00550 |
|
AlM4 .44214 .14144 .710922 .98 .00741 |
|
SiT1 .58718 .25 .40559 .85 .00695 |
|
AlT1 .58718 .25 .40559 .15 .00695 |
|
SiT2 .91298 -.02388 .671550 .99 .00683 |
|
AlT2 .91298 -.02388 .671550 .01 .00683 |
|
B .2749 .25 .58384 .0082 |
|
O1 .8767 .25 .45429 .0099 |
|
O2 .3365 .25 .64939 .714 .0108 |
|
OH2 .3365 .25 .64939 .283 .0108 |
|
F2 .3365 .25 .64939 .003 .0108 |
|
O3 .39593 .13930 .42450 .00874 |
|
O4 .09924 .06427 .71729 .00903 |
|
O5 .10440 -.04995 .60648 .00875 |
|
O6 .61918 .04632 .64962 .01006 |
|
O7 .8502 -.13825 .71292 .714 .0145 |
|
OH7 .8502 -.13825 .71292 .283 .0145 |
|
F7 .8502 -.13825 .71292 .003 .0145 |
|
O8 .6516 .25 .32667 .0146 |
|
O9 .24548 .14892 .55200 .00951 |
|
O10 .7385 .25 .72775 .0107 |
|
O11 .74984 .03342 .51193 .00764 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
| |
European Journal of Mineralogy 18 (2006) 583-588 |
|
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
|
structure and chemistry |
|
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
|
_database_code_amcsd 0007165 |
|
15.997 15.997 7.179 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2295 .78 .0243 |
|
KX 0 0 .2295 .01 .0243 |
|
Fe2+Y .12643 .063214 .62633 .63 .00763 |
|
AlY .12643 .063214 .62633 .19 .00763 |
|
Fe3+Y .12643 .063214 .62633 .04 .00763 |
|
Mn2+Y .12643 .063214 .62633 .04 .00763 |
|
Ti4+Y .12643 .063214 .62633 .01 .00763 |
|
MgY .12643 .063214 .62633 .01 .00763 |
|
ZnY .12643 .063214 .62633 .01 .00763 |
|
AlZ .29899 .26186 .61246 .96 .00545 |
|
FeZ .29899 .26186 .61246 .04 .00545 |
|
SiT .19174 .18983 .00079 .98 .00480 |
|
AlT .19174 .18983 .00079 .02 .00480 |
|
B .11013 .22027 .4567 .0066 |
|
O2 .06163 .12325 .48601 .0146 |
|
Oh3V .26992 .13496 .51180 .0125 |
|
FW 0 0 .7848 .76 .0408 |
|
OHW 0 0 .7848 .24 .0408 |
|
O4 .09295 .18590 .06917 .0091 |
|
O5 .18634 .09317 .09123 .00924 |
|
O6 .19797 .18804 .77760 .00828 |
|
O7 .28469 .28525 .08089 .00796 |
|
O8 .20979 .27035 .44298 .00962 |
|
H .255 .1276 .385 .049 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
| |
European Journal of Mineralogy 18 (2006) 583-588 |
|
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
|
structure and chemistry |
|
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
|
_database_code_amcsd 0007165 |
|
15.997 15.997 7.179 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2295 .78 .0243 |
|
KX 0 0 .2295 .01 .0243 |
|
Fe2+Y .12643 .063214 .62633 .63 .00763 |
|
AlY .12643 .063214 .62633 .19 .00763 |
|
Fe3+Y .12643 .063214 .62633 .04 .00763 |
|
Mn2+Y .12643 .063214 .62633 .04 .00763 |
|
Ti4+Y .12643 .063214 .62633 .01 .00763 |
|
MgY .12643 .063214 .62633 .01 .00763 |
|
ZnY .12643 .063214 .62633 .01 .00763 |
|
AlZ .29899 .26186 .61246 .96 .00545 |
|
FeZ .29899 .26186 .61246 .04 .00545 |
|
SiT .19174 .18983 .00079 .98 .00480 |
|
AlT .19174 .18983 .00079 .02 .00480 |
|
B .11013 .22027 .4567 .0066 |
|
O2 .06163 .12325 .48601 .0146 |
|
Oh3V .26992 .13496 .51180 .0125 |
|
FW 0 0 .7848 .76 .0408 |
|
OHW 0 0 .7848 .24 .0408 |
|
O4 .09295 .18590 .06917 .0091 |
|
O5 .18634 .09317 .09123 .00924 |
|
O6 .19797 .18804 .77760 .00828 |
|
O7 .28469 .28525 .08089 .00796 |
|
O8 .20979 .27035 .44298 .00962 |
|
H .255 .1276 .385 .049 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Elbaite |
|
Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M, |
|
Lengauer C, Prem M |
| |
European Journal of Mineralogy 20 (2008) 881-888 |
|
Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship |
|
to the pressure-temperature conditions of formation |
|
Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar |
|
Note: O5 and O6 z-coordinates changed to match reported bond lengths |
|
_database_code_amcsd 0007264 |
|
15.777 15.777 7.086 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .2446 .53 .0225 |
|
CaX 0 0 .2446 .09 .0225 |
|
AlY .12079 .06040 -.34151 .667 .00799 |
|
LiY .12079 .06040 -.34151 .3 .00799 |
|
MnY .12079 .06040 -.34151 .03 .00799 |
|
FeY .12079 .06040 -.34151 .003 .00799 |
|
AlZ .29673 .26008 -.37240 .00647 |
|
BT .19141 .18948 .01964 .065 .00539 |
|
SiT .19141 .18948 .01964 .935 .00539 |
|
B .10901 .21802 .4727 .0063 |
|
O1 0 0 -.2045 .4 .0186 |
|
OH1 0 0 -.2045 .6 .0186 |
|
O2 .06021 .12042 .5106 .0130 |
|
O3 .26139 .13069 -.47306 .01174 |
|
O4 .09413 .18826 .09350 .00982 |
|
O5 .18697 .09348 .11479 .01015 |
|
O6 .19427 .18381 -.20587 .00768 |
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O7 .28625 .28584 .09589 .00718 |
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O8 .20953 .27006 .45705 .00766 |
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H3 .256 .1282 .411 .045 |
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Olenite |
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Ertl A, Pertlik F, Bernhardt H J |
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Anzeiger der Osterreichische Akademie der Wissenschaften 134 (1997) 3-10 |
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Investigations on olenite with exess boron from Koralpe, Styria, Austria |
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Locality: Koralpe, Styria, Austria |
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_database_code_amcsd 0018673 |
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15.7395 15.7395 7.0656 90 90 120 R3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaX 0 0 .7863 .42 .0240 .0240 .0205 0 0 .0120 |
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CaX 0 0 .7863 .30 .0240 .0240 .0205 0 0 .0120 |
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AlY .72742 .45484 .69377 .798 .0090 .0098 .0127 .0020 .0010 .0049 |
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LiY .72742 .45484 .69377 .202 .0090 .0098 .0127 .0020 .0010 .0049 |
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AlZ .70336 .73949 .39367 .978 .0100 .0112 .0087 .0006 -.0008 .0054 |
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LiZ .70336 .73949 .39367 .022 .0100 .0112 .0087 .0006 -.0008 .0054 |
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SiT .80884 .81074 .00000 .873 .0096 .0089 .0086 -.0007 .0001 .0037 |
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BT .80884 .81074 .00000 .127 .0096 .0089 .0086 -.0007 .0001 .0037 |
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B .89097 .78193 .54964 .0097 .0094 .0103 .0047 .0003 .0006 |
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O1 0 0 .2293 .0172 .0172 .0147 .0086 0 0 |
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O2 .94018 .88036 .50990 .0183 .0092 .0165 .0046 .00065 .0013 |
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O3 .79598 .59197 .82810 .95 .0133 .0233 .0099 .01165 .00055 .0011 |
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F3 .79598 .59197 .82810 .05 .0133 .0233 .0099 .01165 .00055 .0011 |
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O4 .90602 .81204 .92518 .0151 .0197 .0136 .01985 .00115 -.0023 |
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O5 .42632 .85264 .57106 .0157 .0227 .0128 .01135 .00025 -.0005 |
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O6 .80684 .81726 .22691 .0107 .0111 .0101 .0043 .0004 -.0002 |
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O7 .71337 .71409 .92579 .0110 .0110 .0106 .0042 .0012 -.0008 |
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O8 .79067 .73015 .56501 .0090 .0126 .0116 .0053 .0010 .0032 |
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H3 .794 .589 .956 .95 .0517 |
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