|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L1, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018406 |
|
15.8636 15.8636 7.1119 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .487 .0161 |
|
NaX 0 0 .76231 .435 .0161 |
|
PbX 0 0 .76231 .022 .0161 |
|
AlY .06192 .93808 .36906 .413 .0113 |
|
FeY .06192 .93808 .36906 .037 .0113 |
|
MnY .06192 .93808 .36906 .121 .0113 |
|
LiY .06192 .93808 .36906 .429 .0113 |
|
TiY .06192 .93808 .36906 .001 .0113 |
|
AlZ .26015 .29717 .38793 .00617 |
|
SiT .19025 .19213 0 .00496 |
|
B .89084 .10916 .5448 .0064 |
|
F(1o) 0 0 .2117 .709 .0566 |
|
OH(1o) 0 0 .2117 .291 .0566 |
|
O(2o) .93974 .06026 .5202 .0171 |
|
O(3) .13483 .86517 .4897 .0100 |
|
O(4) .90771 .09229 .9269 .0080 |
|
O(5) .09234 .90766 .9054 .0082 |
|
O(6) .18672 .19640 .22361 .0074 |
|
O(7) .28551 .28578 .91842 .0063 |
|
O(8) .27012 .20968 .55784 .0075 |
|
H(3) .1337 .8663 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L1, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018407 |
|
15.8636 15.8636 7.1119 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .487 .0161 |
|
NaX 0 0 .76231 .435 .0161 |
|
PbX 0 0 .76231 .022 .0161 |
|
TiY .06192 .93808 .36906 .001 .0113 |
|
AlY .06192 .93808 .36906 .413 .0113 |
|
FeY .06192 .93808 .36906 .037 .0113 |
|
MnY .06192 .93808 .36906 .121 .0113 |
|
LiY .06192 .93808 .36906 .429 .0113 |
|
AlZ .26015 .29717 .38793 .00617 |
|
SiT .19025 .19213 0 .00496 |
|
B .89084 .10916 .5448 .0064 |
|
F(1d) .01155 .0231 .2115 .236 .0149 |
|
OH(1d) .01155 .0231 .2115 .097 .0149 |
|
O(2d) .9302 .0508 .5200 .5 .0087 |
|
O(3) .13483 .86517 .4897 .0100 |
|
O(4) .90771 .09229 .9269 .0080 |
|
O(5) .09234 .90766 .9054 .0082 |
|
O(6) .18672 .19640 .22361 .0074 |
|
O(7) .28551 .28578 .91842 .0063 |
|
O(8) .27012 .20968 .55784 .0075 |
|
H(3) .1337 .8663 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L2, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018408 |
|
15.8529 15.8529 7.1101 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .563 .0157 |
|
NaX 0 0 .76028 .354 .0157 |
|
PbX 0 0 .76028 .026 .0157 |
|
AlY .06195 .93805 .36814 .398 .0117 |
|
FeY .06195 .93805 .36814 .005 .0117 |
|
MnY .06195 .93805 .36814 .11 .0117 |
|
LiY .06195 .93805 .36814 .487 .0117 |
|
AlZ .25992 .29700 .38782 .00640 |
|
SiT .19020 .19215 0 .00507 |
|
B .89089 .10911 .5451 .0068 |
|
F(1o) 0 0 .2120 .694 .0554 |
|
OH(1o) 0 0 .2120 .306 .0554 |
|
O(2o) .93998 .06002 .5199 .0183 |
|
O(3) .13490 .86510 .4893 .0102 |
|
O(4) .90773 .09227 .9263 .0081 |
|
O(5) .09213 .90787 .9047 .0086 |
|
O(6) .18644 .19624 .22358 .0074 |
|
O(7) .28547 .28581 .91820 .0063 |
|
O(8) .27016 .20953 .55771 .0077 |
|
H(3) .130 .870 .6256 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L2, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018409 |
|
15.8529 15.8529 7.1101 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .563 .0157 |
|
NaX 0 0 .76028 .354 .0157 |
|
PbX 0 0 .76028 .026 .0157 |
|
AlY .06195 .93805 .36814 .398 .0117 |
|
FeY .06195 .93805 .36814 .005 .0117 |
|
MnY .06195 .93805 .36814 .11 .0117 |
|
LiY .06195 .93805 .36814 .487 .0117 |
|
AlZ .25992 .29700 .38782 .00640 |
|
SiT .19020 .19215 0 .00507 |
|
B .89089 .10911 .5451 .0068 |
|
F(1d) .01152 .0230 .2118 .231 .014 |
|
OH(1d) .01152 .0230 .2118 .102 .014 |
|
O(2d) .9304 .0505 .5197 .5 .0102 |
|
O(3) .13490 .86510 .4893 .0102 |
|
O(4) .90773 .09227 .9263 .0081 |
|
O(5) .09213 .90787 .9047 .0086 |
|
O(6) .18644 .19624 .22358 .0074 |
|
O(7) .28547 .28581 .91820 .0063 |
|
O(8) .27016 .20953 .55771 .0077 |
|
H(3) .130 .870 .6256 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L4, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018410 |
|
15.8548 15.8548 7.1099 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76060 .517 .0165 |
|
NaX 0 0 .76060 .386 .0165 |
|
PbX 0 0 .76060 .021 .0165 |
|
TiY .06191 .93809 .36813 .001 .0114 |
|
AlY .06191 .93809 .36813 .391 .0114 |
|
FeY .06191 .93809 .36813 .03 .0114 |
|
MgY .06191 .93809 .36813 .034 .0114 |
|
MnY .06191 .93809 .36813 .078 .0114 |
|
LiY .06191 .93809 .36813 .465 .0114 |
|
AlZ .26002 .29703 .38784 .00647 |
|
SiT .19018 .19210 0 .00515 |
|
B .89101 .10899 .5448 .0072 |
|
F(1o) 0 0 .2126 .589 .0537 |
|
OH(1o) 0 0 .2126 .411 .0537 |
|
O(2o) .93983 .06017 .5197 .0162 |
|
O(3) .13478 .86522 .4895 .0101 |
|
O(4) .90773 .09227 .9265 .0082 |
|
O(5) .09226 .90774 .9048 .0090 |
|
O(6) .18634 .19616 .22358 .0074 |
|
O(7) .28554 .28588 .91854 .0064 |
|
O(8) .27019 .20964 .55767 .0076 |
|
H(3) .1303 .8697 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L4, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018411 |
|
15.8548 15.8548 7.1099 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76060 .517 .0165 |
|
NaX 0 0 .76060 .386 .0165 |
|
PbX 0 0 .76060 .021 .0165 |
|
TiY .06191 .93809 .36813 .001 .0114 |
|
AlY .06191 .93809 .36813 .391 .0114 |
|
FeY .06191 .93809 .36813 .03 .0114 |
|
MgY .06191 .93809 .36813 .034 .0114 |
|
MnY .06191 .93809 .36813 .078 .0114 |
|
LiY .06191 .93809 .36813 .465 .0114 |
|
AlZ .26002 .29703 .38784 .00647 |
|
SiT .19018 .19210 0 .00515 |
|
B .89101 .10899 .5448 .0072 |
|
F(1d) .01134 .0227 .2125 .196 .0144 |
|
OH(1d) .01134 .0227 .2125 .137 .0144 |
|
O(2d) .9308 .0511 .5195 .5 .0088 |
|
O(3) .13478 .86522 .4895 .0101 |
|
O(4) .90773 .09227 .9265 .0082 |
|
O(5) .09226 .90774 .9048 .0090 |
|
O(6) .18634 .19616 .22358 .0074 |
|
O(7) .28554 .28588 .91854 .0064 |
|
O(8) .27019 .20964 .55767 .0076 |
|
H(3) .1303 .8697 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L5, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018412 |
|
15.8456 15.8456 7.1066 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76011 .628 .0143 |
|
NaX 0 0 .76011 .297 .0143 |
|
PbX 0 0 .76011 .023 .0143 |
|
AlY .06192 .93808 .36673 .396 .0117 |
|
FeY .06192 .93808 .36673 .007 .0117 |
|
MnY .06192 .93808 .36673 .069 .0117 |
|
LiY .06192 .93808 .36673 .528 .0117 |
|
AlZ .25977 .29691 .38791 .00637 |
|
SiT .19025 .19215 0 .00511 |
|
B .89099 .10901 .5446 .0075 |
|
F(1o) 0 0 .2121 .702 .0551 |
|
OH(1o) 0 0 .2121 .298 .0551 |
|
O(2o) .93986 .06014 .5198 .0167 |
|
O(3) .13478 .86522 .4895 .0104 |
|
O(4) .90781 .09219 .9255 .0087 |
|
O(5) .09217 .90783 .9041 .0082 |
|
O(6) .18640 .19590 .22349 .0071 |
|
O(7) .28537 .28589 .91828 .0064 |
|
O(8) .27004 .20972 .55772 .0075 |
|
H(3) .1321 .8679 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L5, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018413 |
|
15.8456 15.8456 7.1066 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76011 .628 .0143 |
|
NaX 0 0 .76011 .297 .0143 |
|
PbX 0 0 .76011 .023 .0143 |
|
AlY .06192 .93808 .36673 .396 .0117 |
|
FeY .06192 .93808 .36673 .007 .0117 |
|
MnY .06192 .93808 .36673 .069 .0117 |
|
LiY .06192 .93808 .36673 .528 .0117 |
|
AlZ .25977 .29691 .38791 .00637 |
|
SiT .19025 .19215 0 .00511 |
|
B .89099 .10901 .5446 .0075 |
|
F(1d) .01136 .0227 .2119 .234 .0151 |
|
OH(1d) .01136 .0227 .2119 .99 .0151 |
|
O(2d) .9305 .0509 .5196 .5 .0088 |
|
O(3) .13478 .86522 .4895 .0104 |
|
O(4) .90781 .09219 .9255 .0087 |
|
O(5) .09217 .90783 .9041 .0082 |
|
O(6) .18640 .19590 .22349 .0071 |
|
O(7) .28537 .28589 .91828 .0064 |
|
O(8) .27004 .20972 .55772 .0075 |
|
H(3) .1321 .8679 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L6, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018414 |
|
15.8418 15.8418 7.1044 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .641 .0145 |
|
NaX 0 0 .76028 .288 .0145 |
|
PbX 0 0 .76028 .023 .0145 |
|
AlY .06188 .93812 .36596 .398 .0124 |
|
FeY .06188 .93812 .36596 .007 .0124 |
|
MnY .06188 .93812 .36596 .06 .0124 |
|
LiY .06188 .93812 .36596 .535 .0124 |
|
AlZ .25972 .29686 .38801 .00633 |
|
SiT .19023 .19212 0 .00500 |
|
B .89104 .10896 .5447 .0068 |
|
F(1o) 0 0 .2115 .696 .0540 |
|
OH(1o) 0 0 .2115 .304 .0540 |
|
O(2o) .93990 .06010 .5198 .0171 |
|
O(3) .13493 .86507 .4899 .0103 |
|
O(4) .90780 .09220 .9256 .0084 |
|
O(5) .09210 .90790 .9042 .0085 |
|
O(6) .18632 .19597 .22365 .0071 |
|
O(7) .28534 .28596 .91837 .0064 |
|
O(8) .27000 .20969 .55794 .0076 |
|
H(3) .1306 .8694 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L6, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018415 |
|
15.8418 15.8418 7.1044 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76028 .641 .0145 |
|
NaX 0 0 .76028 .288 .0145 |
|
PbX 0 0 .76028 .023 .0145 |
|
AlY .06188 .93812 .36596 .398 .0124 |
|
FeY .06188 .93812 .36596 .007 .0124 |
|
MnY .06188 .93812 .36596 .06 .0124 |
|
LiY .06188 .93812 .36596 .535 .0124 |
|
AlZ .25972 .29686 .38801 .00633 |
|
SiT .19023 .19212 0 .00500 |
|
B .89104 .10896 .5447 .0068 |
|
F(1d) .01128 .0226 .2114 .232 .0145 |
|
OH(1d) .01128 .0226 .2114 .101 .0145 |
|
O(2d) .9306 .0509 .5196 .5 .0092 |
|
O(3) .13493 .86507 .4899 .0103 |
|
O(4) .90780 .09220 .9256 .0084 |
|
O(5) .09210 .90790 .9042 .0085 |
|
O(6) .18632 .19597 .22365 .0071 |
|
O(7) .28534 .28596 .91837 .0064 |
|
O(8) .27000 .20969 .55794 .0076 |
|
H(3) .1306 .8694 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L7, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018416 |
|
15.8363 15.8363 7.1040 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76057 .636 .0144 |
|
NaX 0 0 .76057 .282 .0144 |
|
PbX 0 0 .76057 .02 .0144 |
|
TiY .06185 .93815 .36575 .001 .0113 |
|
AlY .06185 .93815 .36575 .408 .0113 |
|
FeY .06185 .93815 .36575 .015 .0113 |
|
MgY .06185 .93815 .36575 .001 .0113 |
|
MnY .06185 .93815 .36575 .045 .0113 |
|
LiY .06185 .93815 .36575 .531 .0113 |
|
AlZ .25973 .29683 .38801 .00640 |
|
SiT .19017 .19210 0 .00518 |
|
B .89115 .10885 .5444 .0069 |
|
F(1o) 0 0 .2118 .709 .0522 |
|
OH(1o) 0 0 .2118 .291 .0522 |
|
O(2o) .94001 .05999 .5199 .0169 |
|
O(3) .13484 .86516 .4896 .0104 |
|
O(4) .90786 .09214 .9257 .0085 |
|
O(5) .09203 .90797 .9042 .0084 |
|
O(6) .18607 .19593 .22357 .0071 |
|
O(7) .28541 .28596 .91831 .0065 |
|
O(8) .26996 .20947 .55779 .0074 |
|
H(3) .1279 .8721 .620 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L7, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018417 |
|
15.8363 15.8363 7.1040 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76057 .636 .0144 |
|
NaX 0 0 .76057 .282 .0144 |
|
PbX 0 0 .76057 .02 .0144 |
|
TiY .06185 .93815 .36575 .001 .0113 |
|
AlY .06185 .93815 .36575 .408 .0113 |
|
FeY .06185 .93815 .36575 .015 .0113 |
|
MgY .06185 .93815 .36575 .001 .0113 |
|
MnY .06185 .93815 .36575 .045 .0113 |
|
LiY .06185 .93815 .36575 .531 .0113 |
|
AlZ .25973 .29683 .38801 .00640 |
|
SiT .19017 .19210 0 .00518 |
|
B .89115 .10885 .5444 .0069 |
|
F(1d) .01111 .0222 .2117 .236 .014 |
|
OH(1d) .01111 .0222 .2117 .097 .014 |
|
O(2d) .9309 .0510 .5197 .5 .0095 |
|
O(3) .13484 .86516 .4896 .0104 |
|
O(4) .90786 .09214 .9257 .0085 |
|
O(5) .09203 .90797 .9042 .0084 |
|
O(6) .18607 .19593 .22357 .0071 |
|
O(7) .28541 .28596 .91831 .0065 |
|
O(8) .26996 .20947 .55779 .0074 |
|
H(3) .1279 .8721 .620 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L11, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018418 |
|
15.8675 15.8675 7.1135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76038 .441 .0173 |
|
NaX 0 0 .76038 .471 .0173 |
|
PbX 0 0 .76038 .025 .0173 |
|
AlY .06200 .93800 .37036 .389 .0108 |
|
FeY .06200 .93800 .37036 .009 .0108 |
|
MnY .06200 .93800 .37036 .177 .0108 |
|
LiY .06200 .93800 .37036 .426 .0108 |
|
AlZ .26026 .29728 .38757 .00609 |
|
SiT .19021 .19214 0 .00493 |
|
B .89067 .10933 .5451 .0069 |
|
F(1o) 0 0 .2114 .681 .0612 |
|
OH(1o) 0 0 .2114 .319 .0612 |
|
O(2o) .93960 .06040 .5209 .0180 |
|
O(3) .13504 .86496 .4894 .0091 |
|
O(4) .90755 .09245 .9268 .0078 |
|
O(5) .09244 .90756 .9053 .0081 |
|
O(6) .18694 .19657 .22355 .0073 |
|
O(7) .28546 .28565 .91811 .0062 |
|
O(8) .27017 .20974 .55749 .0076 |
|
H(3) .1319 .8681 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L11, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018419 |
|
15.8675 15.8675 7.1135 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76038 .441 .0173 |
|
NaX 0 0 .76038 .471 .0173 |
|
PbX 0 0 .76038 .025 .0173 |
|
AlY .06200 .93800 .37036 .389 .0108 |
|
FeY .06200 .93800 .37036 .009 .0108 |
|
MnY .06200 .93800 .37036 .177 .0108 |
|
LiY .06200 .93800 .37036 .426 .0108 |
|
AlZ .26026 .29728 .38757 .00609 |
|
SiT .19021 .19214 0 .00493 |
|
B .89067 .10933 .5451 .0069 |
|
F(1d) .01214 .0243 .2112 .227 .014 |
|
OH(1d) .01214 .0243 .2112 .106 .014 |
|
O(2d) .9298 .0507 .5207 .5 .0090 |
|
O(3) .13504 .86496 .4894 .0091 |
|
O(4) .90755 .09245 .9268 .0078 |
|
O(5) .09244 .90756 .9053 .0081 |
|
O(6) .18694 .19657 .22355 .0073 |
|
O(7) .28546 .28565 .91811 .0062 |
|
O(8) .27017 .20974 .55749 .0076 |
|
H(3) .1319 .8681 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L12, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018420 |
|
15.853 15.853 7.120 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76015 .51 .01604 |
|
NaX 0 0 .76015 .408 .01604 |
|
PbX 0 0 .76015 .026 .01604 |
|
AlY .06192 .93808 .36940 .397 .0115 |
|
FeY .06192 .93808 .36940 .009 .0115 |
|
MnY .06192 .93808 .36940 .141 .0115 |
|
LiY .06192 .93808 .36940 .453 .0115 |
|
AlZ .26009 .29709 .38774 .00653 |
|
SiT .19020 .19212 0 .00518 |
|
B .89096 .10904 .5454 .0069 |
|
F(1o) 0 0 .2113 .752 .0549 |
|
OH(1o) 0 0 .2113 .248 .0549 |
|
O(2o) .93979 .06021 .5203 .0176 |
|
O(3) .13492 .86508 .4894 .0102 |
|
O(4) .90767 .09233 .9268 .0085 |
|
O(5) .09227 .90773 .9051 .0088 |
|
O(6) .18674 .19646 .22354 .0073 |
|
O(7) .28551 .28579 .91824 .0064 |
|
O(8) .27016 .20967 .55772 .0082 |
|
H(3) .1311 .8689 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L12, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018421 |
|
15.853 15.853 7.120 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76015 .51 .01604 |
|
NaX 0 0 .76015 .408 .01604 |
|
PbX 0 0 .76015 .026 .01604 |
|
AlY .06192 .93808 .36940 .397 .0115 |
|
FeY .06192 .93808 .36940 .009 .0115 |
|
MnY .06192 .93808 .36940 .141 .0115 |
|
LiY .06192 .93808 .36940 .453 .0115 |
|
AlZ .26009 .29709 .38774 .00653 |
|
SiT .19020 .19212 0 .00518 |
|
B .89096 .10904 .5454 .0069 |
|
F(1d) .01165 .0233 .2111 .251 .012 |
|
OH(1d) .01165 .0233 .2111 .082 .012 |
|
O(2d) .9300 .0505 .5202 .5 .0088 |
|
O(3) .13492 .86508 .4894 .0102 |
|
O(4) .90767 .09233 .9268 .0085 |
|
O(5) .09227 .90773 .9051 .0088 |
|
O(6) .18674 .19646 .22354 .0073 |
|
O(7) .28551 .28579 .91824 .0064 |
|
O(8) .27016 .20967 .55772 .0082 |
|
H(3) .1311 .8689 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L13, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018422 |
|
15.8449 15.8449 7.1053 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .583 .0161 |
|
NaX 0 0 .76231 .345 .0161 |
|
PbX 0 0 .76231 .006 .0161 |
|
TiY .06196 .93804 .36590 .003 .0110 |
|
AlY .06196 .93804 .36590 .403 .0110 |
|
FeY .06196 .93804 .36590 .005 .0110 |
|
MgY .06196 .93804 .36590 .02 .0110 |
|
MnY .06196 .93804 .36590 .011 .0110 |
|
LiY .06196 .93804 .36590 .497 .0110 |
|
AlZ .25978 .29699 .38818 .00631 |
|
SiT .19019 .19212 0 .00539 |
|
B .89082 .10918 .5450 .0073 |
|
F(1o) 0 0 .2130 .647 .0546 |
|
OH(1o) 0 0 .2130 .353 .0546 |
|
O(2o) .93980 .06020 .5191 .0167 |
|
O(3) .13458 .86542 .4900 .0100 |
|
O(4) .90765 .09235 .9255 .0085 |
|
O(5) .09219 .90781 .9043 .0085 |
|
O(6) .18640 .19593 .22381 .0073 |
|
O(7) .28531 .28582 .91855 .0063 |
|
O(8) .27008 .20974 .55830 .0076 |
|
H(3) .13312 .8668 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L13, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018423 |
|
15.8449 15.8449 7.1053 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76231 .583 .0161 |
|
NaX 0 0 .76231 .345 .0161 |
|
PbX 0 0 .76231 .006 .0161 |
|
TiY .06196 .93804 .36590 .003 .0110 |
|
AlY .06196 .93804 .36590 .403 .0110 |
|
FeY .06196 .93804 .36590 .005 .0110 |
|
MgY .06196 .93804 .36590 .02 .0110 |
|
MnY .06196 .93804 .36590 .011 .0110 |
|
LiY .06196 .93804 .36590 .497 .0110 |
|
AlZ .25978 .29699 .38818 .00631 |
|
SiT .19019 .19212 0 .00539 |
|
B .89082 .10918 .5450 .0073 |
|
F(1d) .01115 .0223 .2128 .216 .0158 |
|
OH(1d) .01115 .0223 .2128 .117 .0158 |
|
O(2d) .9306 .0511 .5190 .5 .0090 |
|
O(3) .13458 .86542 .4900 .0100 |
|
O(4) .90765 .09235 .9255 .0085 |
|
O(5) .09219 .90781 .9043 .0085 |
|
O(6) .18640 .19593 .22381 .0073 |
|
O(7) .28531 .28582 .91855 .0063 |
|
O(8) .27008 .20974 .55830 .0076 |
|
H(3) .13312 .8668 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L15, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018424 |
|
15.8248 15.8248 7.0993 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .696 .0134 |
|
NaX 0 0 .76133 .228 .0134 |
|
PbX 0 0 .76133 .01 .0134 |
|
AlY .06182 .93818 .3637 .419 .0113 |
|
FeY .06182 .93818 .3637 .01 .0113 |
|
MnY .06182 .93818 .3637 .011 .0113 |
|
LiY .06182 .93818 .3637 .56 .0113 |
|
AlZ .25956 .29670 .38834 .00608 |
|
SiT .19020 .19210 0 .00509 |
|
B .89111 .10889 .5446 .0067 |
|
F(1o) 0 0 .2116 .668 .0522 |
|
OH(1o) 0 0 .2116 .332 .0522 |
|
O(2o) .94007 .05993 .5188 .0164 |
|
O(3) .13465 .86535 .4902 .0105 |
|
O(4) .90785 .09215 .9248 .0084 |
|
O(5) .09192 .90808 .9042 .0079 |
|
O(6) .18579 .19537 .2233 .0072 |
|
O(7) .28522 .28582 .91856 .0063 |
|
O(8) .26990 .20955 .55810 .0076 |
|
H(3) .1384 .8616 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L15, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018425 |
|
15.8248 15.8248 7.0993 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .696 .0134 |
|
NaX 0 0 .76133 .228 .0134 |
|
PbX 0 0 .76133 .01 .0134 |
|
AlY .06182 .93818 .3637 .419 .0113 |
|
FeY .06182 .93818 .3637 .01 .0113 |
|
MnY .06182 .93818 .3637 .011 .0113 |
|
LiY .06182 .93818 .3637 .56 .0113 |
|
AlZ .25956 .29670 .38834 .00608 |
|
SiT .19020 .19210 0 .00509 |
|
B .89111 .10889 .5446 .0067 |
|
F(1d) .01091 .0218 .2114 .222 .0148 |
|
OH(1d) .01091 .0218 .2114 .111 .0148 |
|
O(2d) .93061 .0506 .5188 .5 .0082 |
|
O(3) .13465 .86535 .4902 .0105 |
|
O(4) .90785 .09215 .9248 .0084 |
|
O(5) .09192 .90808 .9042 .0079 |
|
O(6) .18579 .19537 .2233 .0072 |
|
O(7) .28522 .28582 .91856 .0063 |
|
O(8) .26990 .20955 .55810 .0076 |
|
H(3) .1384 .8616 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L16, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018426 |
|
15.8307 15.8307 7.1013 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76121 .685 .0142 |
|
NaX 0 0 .76121 .245 .0142 |
|
PbX 0 0 .76121 .01 .0142 |
|
TiY .06184 .93816 .36437 .001 .0103 |
|
AlY .06184 .93816 .36437 .429 .0103 |
|
FeY .06184 .93816 .36437 .02 .0103 |
|
MnY .06184 .93816 .36437 .012 .0103 |
|
LiY .06184 .93816 .36437 .539 .0103 |
|
AlZ .25959 .29671 .38825 .00608 |
|
SiT .19018 .19206 0 .00493 |
|
B .89126 .10874 .5447 .0068 |
|
F(1o) 0 0 .2117 .685 .0492 |
|
OH(1o) 0 0 .2117 .315 .0492 |
|
O(2o) .94020 .05980 .5197 .0164 |
|
O(3) .13462 .86538 .48995 .0107 |
|
O(4) .90791 .09209 .92522 .0084 |
|
O(5) .09198 .90802 .90386 .0083 |
|
O(6) .18587 .19569 .22358 .00718 |
|
O(7) .28539 .28599 .91839 .00602 |
|
O(8) .26990 .20948 .55815 .00735 |
|
H(3) .1325 .8675 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L16, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018427 |
|
15.8307 15.8307 7.1013 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76121 .685 .0142 |
|
NaX 0 0 .76121 .245 .0142 |
|
PbX 0 0 .76121 .01 .0142 |
|
TiY .06184 .93816 .36437 .001 .0103 |
|
AlY .06184 .93816 .36437 .429 .0103 |
|
FeY .06184 .93816 .36437 .02 .0103 |
|
MnY .06184 .93816 .36437 .012 .0103 |
|
LiY .06184 .93816 .36437 .539 .0103 |
|
AlZ .25959 .29671 .38825 .00608 |
|
SiT .19018 .19206 0 .00493 |
|
B .89126 .10874 .5447 .0068 |
|
F(1d) .01085 .0217 .2115 .228 .0131 |
|
OH(1d) .01085 .0217 .2115 .105 .0131 |
|
O(2d) .93127 .05097 .5194 .5 .0093 |
|
O(3) .13462 .86538 .48995 .0107 |
|
O(4) .90791 .09209 .92522 .0084 |
|
O(5) .09198 .90802 .90386 .0083 |
|
O(6) .18587 .19569 .22358 .00718 |
|
O(7) .28539 .28599 .91839 .00602 |
|
O(8) .26990 .20948 .55815 .00735 |
|
H(3) .1325 .8675 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L17, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018428 |
|
15.8337 15.8337 7.1023 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .645 .0148 |
|
NaX 0 0 .76167 .282 .0148 |
|
PbX 0 0 .76167 .009 .0148 |
|
TiY .06183 .93817 .36458 .002 .0110 |
|
AlY .06183 .93817 .36458 .432 .0110 |
|
FeY .06183 .93817 .36458 .003 .0110 |
|
MnY .06183 .93817 .36458 .01 .0110 |
|
LiY .06183 .93817 .36458 .519 .0110 |
|
AlZ .25965 .29678 .38821 .00616 |
|
SiT .19020 .19211 0 .00530 |
|
B .89120 .10880 .5444 .0071 |
|
F(1o) 0 0 .2121 .714 .0521 |
|
OH(1o) 0 0 .2121 .286 .0521 |
|
O(2o) .94006 .05994 .5189 .0162 |
|
O(3) .13461 .86539 .4899 .0106 |
|
O(4) .90785 .09215 .9253 .0084 |
|
O(5) .09199 .90801 .9039 .0088 |
|
O(6) .18605 .19576 .22368 .0072 |
|
O(7) .28538 .28594 .91839 .00614 |
|
O(8) .26986 .20952 .55796 .0074 |
|
H(3) .1320 .8680 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L17, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018429 |
|
15.8337 15.8337 7.1023 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .645 .0148 |
|
NaX 0 0 .76167 .282 .0148 |
|
PbX 0 0 .76167 .009 .0148 |
|
TiY .06183 .93817 .36458 .002 .0110 |
|
AlY .06183 .93817 .36458 .432 .0110 |
|
FeY .06183 .93817 .36458 .003 .0110 |
|
MnY .06183 .93817 .36458 .01 .0110 |
|
LiY .06183 .93817 .36458 .519 .0110 |
|
AlZ .25965 .29678 .38821 .00616 |
|
SiT .19020 .19211 0 .00530 |
|
B .89120 .10880 .5444 .0071 |
|
F(1d) .01108 .0222 .2120 .238 .015 |
|
OH(1d) .01108 .0222 .2120 .095 .015 |
|
O(2d) .9311 .0511 .5187 .5 .0091 |
|
O(3) .13461 .86539 .4899 .0106 |
|
O(4) .90785 .09215 .9253 .0084 |
|
O(5) .09199 .90801 .9039 .0088 |
|
O(6) .18605 .19576 .22368 .0072 |
|
O(7) .28538 .28594 .91839 .00614 |
|
O(8) .26986 .20952 .55796 .0074 |
|
H(3) .1320 .8680 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L18, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018430 |
|
15.8293 15.8293 7.1003 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76118 .688 .0140 |
|
NaX 0 0 .76118 .239 .0140 |
|
PbX 0 0 .76118 .009 .0140 |
|
TiY .06182 .93818 .36366 .001 .0110 |
|
AlY .06182 .93818 .36366 .445 .0110 |
|
FeY .06182 .93818 .36366 .01 .0110 |
|
MnY .06182 .93818 .36366 .011 .0110 |
|
LiY .06182 .93818 .36366 .532 .0110 |
|
AlZ .25957 .29670 .38821 .00626 |
|
SiT .19018 .19211 0 .00528 |
|
B .89123 .10877 .5444 .0069 |
|
F(1o) 0 0 .2110 .73 .0482 |
|
OH(1o) 0 0 .2110 .27 .0482 |
|
O(2o) .94015 .05985 .5193 .0161 |
|
O(3) .13448 .86552 .4899 .0111 |
|
O(4) .90791 .09209 .9252 .0083 |
|
O(5) .09197 .90803 .9037 .0085 |
|
O(6) .18598 .19565 .22373 .0075 |
|
O(7) .28547 .28610 .91847 .00617 |
|
O(8) .26992 .20950 .55805 .0074 |
|
H(3) .1294 .8706 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L18, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018431 |
|
15.8293 15.8293 7.1003 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76118 .688 .0140 |
|
NaX 0 0 .76118 .239 .0140 |
|
PbX 0 0 .76118 .009 .0140 |
|
TiY .06182 .93818 .36366 .001 .0110 |
|
AlY .06182 .93818 .36366 .445 .0110 |
|
FeY .06182 .93818 .36366 .01 .0110 |
|
MnY .06182 .93818 .36366 .011 .0110 |
|
LiY .06182 .93818 .36366 .532 .0110 |
|
AlZ .25957 .29670 .38821 .00626 |
|
SiT .19018 .19211 0 .00528 |
|
B .89123 .10877 .5444 .0069 |
|
F(1d) .01073 .0215 .2108 .243 .013 |
|
OH(1d) .01073 .0215 .2108 .09 .013 |
|
O(2d) .9313 .0511 .5191 .5 .0092 |
|
O(3) .13448 .86552 .4899 .0111 |
|
O(4) .90791 .09209 .9252 .0083 |
|
O(5) .09197 .90803 .9037 .0085 |
|
O(6) .18598 .19565 .22373 .0075 |
|
O(7) .28547 .28610 .91847 .00617 |
|
O(8) .26992 .20950 .55805 .0074 |
|
H(3) .1294 .8706 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L19, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018432 |
|
15.8343 15.8343 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76142 .682 .0141 |
|
NaX 0 0 .76142 .248 .0141 |
|
PbX 0 0 .76142 .009 .0141 |
|
TiY .06186 .93814 .36396 .001 .0110 |
|
AlY .06186 .93814 .36396 .432 .0110 |
|
FeY .06186 .93814 .36396 .015 .0110 |
|
MnY .06186 .93814 .36396 .009 .0110 |
|
LiY .06186 .93814 .36396 .542 .0110 |
|
AlZ .25958 .29672 .38819 .00609 |
|
SiT .19019 .19210 0 .00509 |
|
B .89106 .10894 .5447 .0069 |
|
F(1o) 0 0 .2115 .669 .0518 |
|
OH(1o) 0 0 .2115 .331 .0518 |
|
O(2o) .94010 .05990 .5190 .0162 |
|
O(3) .13455 .86545 .4899 .0105 |
|
O(4) .90793 .09207 .9248 .0081 |
|
O(5) .09207 .90793 .9040 .0083 |
|
O(6) .18595 .19554 .22357 .0070 |
|
O(7) .28524 .28589 .91828 .00618 |
|
O(8) .26999 .20964 .55817 .0072 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L19, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018433 |
|
15.8343 15.8343 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76142 .682 .0141 |
|
NaX 0 0 .76142 .248 .0141 |
|
PbX 0 0 .76142 .009 .0141 |
|
TiY .06186 .93814 .36396 .001 .0110 |
|
AlY .06186 .93814 .36396 .432 .0110 |
|
FeY .06186 .93814 .36396 .015 .0110 |
|
MnY .06186 .93814 .36396 .009 .0110 |
|
LiY .06186 .93814 .36396 .542 .0110 |
|
AlZ .25958 .29672 .38819 .00609 |
|
SiT .19019 .19210 0 .00509 |
|
B .89106 .10894 .5447 .0069 |
|
F(1d) .01096 .0219 .2114 .223 .014 |
|
OH(1d) .01096 .0219 .2114 .11 .014 |
|
O(2d) .9311 .0510 .5190 .5 .0089 |
|
O(3) .13455 .86545 .4899 .0105 |
|
O(4) .90793 .09207 .9248 .0081 |
|
O(5) .09207 .90793 .9040 .0083 |
|
O(6) .18595 .19554 .22357 .0070 |
|
O(7) .28524 .28589 .91828 .00618 |
|
O(8) .26999 .20964 .55817 .0072 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L20, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018434 |
|
15.8303 15.8303 7.1017 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76161 .691 .0136 |
|
NaX 0 0 .76161 .234 .0136 |
|
PbX 0 0 .76161 .006 .0136 |
|
TiY .06175 .93825 .36394 .001 .0103 |
|
AlY .06175 .93825 .36394 .436 .0103 |
|
FeY .06175 .93825 .36394 .018 .0103 |
|
MgY .06175 .93825 .36394 .001 .0103 |
|
MnY .06175 .93825 .36394 .008 .0103 |
|
LiY .06175 .93825 .36394 .537 .0103 |
|
AlZ .25959 .29668 .38827 .00590 |
|
SiT .19017 .19207 0 .00471 |
|
B .89135 .10865 .5448 .0070 |
|
F(1o) 0 0 .2117 .679 .0491 |
|
OH(1o) 0 0 .2117 .321 .0491 |
|
O(2o) .94025 .05975 .5193 .0157 |
|
O(3) .13470 .86530 .4902 .0104 |
|
O(4) .90792 .09208 .9252 .0077 |
|
O(5) .09194 .90806 .9037 .0078 |
|
O(6) .18585 .19565 .22351 .0068 |
|
O(7) .28545 .28601 .91848 .0059 |
|
O(8) .26981 .20944 .55806 .0069 |
|
H(3) .1293 .8708 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L20, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018435 |
|
15.8303 15.8303 7.1017 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76161 .691 .0136 |
|
NaX 0 0 .76161 .234 .0136 |
|
PbX 0 0 .76161 .006 .0136 |
|
TiY .06175 .93825 .36394 .001 .0103 |
|
AlY .06175 .93825 .36394 .436 .0103 |
|
FeY .06175 .93825 .36394 .018 .0103 |
|
MgY .06175 .93825 .36394 .001 .0103 |
|
MnY .06175 .93825 .36394 .008 .0103 |
|
LiY .06175 .93825 .36394 .537 .0103 |
|
AlZ .25959 .29668 .38827 .00590 |
|
SiT .19017 .19207 0 .00471 |
|
B .89135 .10865 .5448 .0070 |
|
F(1d) .01078 .0216 .2114 .226 .0138 |
|
OH(1d) .01078 .0216 .2114 .107 .0138 |
|
O(2d) .9314 .0510 .5191 .5 .0086 |
|
O(3) .13470 .86530 .4902 .0104 |
|
O(4) .90792 .09208 .9252 .0077 |
|
O(5) .09194 .90806 .9037 .0078 |
|
O(6) .18585 .19565 .22351 .0068 |
|
O(7) .28545 .28601 .91848 .0059 |
|
O(8) .26981 .20944 .55806 .0069 |
|
H(3) .1293 .8708 .624 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L21, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018436 |
|
15.8399 15.8399 7.1030 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76207 .638 .0147 |
|
NaX 0 0 .76207 .284 .0147 |
|
PbX 0 0 .76207 .006 .0147 |
|
TiY .06183 .93817 .36477 .002 .0105 |
|
AlY .06183 .93817 .36477 .417 .0105 |
|
FeY .06183 .93817 .36477 .044 .0105 |
|
MgY .06183 .93817 .36477 .005 .0105 |
|
MnY .06183 .93817 .36477 .01 .0105 |
|
LiY .06183 .93817 .36477 .522 .0105 |
|
AlZ .25969 .29684 .38829 .00592 |
|
SiT .19020 .19212 0 .00494 |
|
B .89109 .10891 .5449 .0068 |
|
F(1o) 0 0 .2123 .668 .0535 |
|
OH(1o) 0 0 .2123 .332 .0535 |
|
O(2o) .94008 .05992 .5195 .0168 |
|
O(3) .13454 .86546 .4900 .0102 |
|
O(4) .90782 .09218 .9257 .0080 |
|
O(5) .09204 .90796 .9041 .0086 |
|
O(6) .18617 .19579 .22380 .0071 |
|
O(7) .28527 .28596 .91863 .0061 |
|
O(8) .27006 .20969 .55831 .0074 |
|
H(3) .1350 .8650 .626 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L21, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018437 |
|
15.8399 15.8399 7.1030 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76207 .638 .0147 |
|
NaX 0 0 .76207 .284 .0147 |
|
PbX 0 0 .76207 .006 .0147 |
|
TiY .06183 .93817 .36477 .002 .0105 |
|
AlY .06183 .93817 .36477 .417 .0105 |
|
FeY .06183 .93817 .36477 .044 .0105 |
|
MgY .06183 .93817 .36477 .005 .0105 |
|
MnY .06183 .93817 .36477 .01 .0105 |
|
LiY .06183 .93817 .36477 .522 .0105 |
|
AlZ .25969 .29684 .38829 .00592 |
|
SiT .19020 .19212 0 .00494 |
|
B .89109 .10891 .5449 .0068 |
|
F(1d) .01101 .0220 .2119 .222 .0152 |
|
OH(1d) .01101 .0220 .2119 .111 .0152 |
|
O(2d) .9307 .0509 .5190 .5 .0089 |
|
O(3) .13454 .86546 .4900 .0102 |
|
O(4) .90782 .09218 .9257 .0080 |
|
O(5) .09204 .90796 .9041 .0086 |
|
O(6) .18617 .19579 .22380 .0071 |
|
O(7) .28527 .28596 .91863 .0061 |
|
O(8) .27006 .20969 .55831 .0074 |
|
H(3) .1350 .8650 .626 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L22, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018438 |
|
15.8306 15.8306 7.0999 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .7613 .683 .0135 |
|
NaX 0 0 .7613 .247 .0135 |
|
PbX 0 0 .7613 .006 .0135 |
|
TiY .06180 .93820 .3644 .001 .0093 |
|
AlY .06180 .93820 .3644 .413 .0093 |
|
FeY .06180 .93820 .3644 .021 .0093 |
|
MgY .06180 .93820 .3644 .009 .0093 |
|
MnY .06180 .93820 .3644 .012 .0093 |
|
LiY .06180 .93820 .3644 .544 .0093 |
|
AlZ .25963 .29673 .38811 .00570 |
|
SiT .19025 .19212 0 .00454 |
|
B .89128 .10872 .5457 .0066 |
|
F(1o) 0 0 .2121 .638 .0494 |
|
OH(1o) 0 0 .2121 .362 .0494 |
|
O(2o) .94016 .05984 .5198 .0167 |
|
O(3) .13446 .86554 .4897 .0100 |
|
O(4) .90789 .09211 .9251 .0075 |
|
O(5) .09201 .90799 .9037 .0084 |
|
O(6) .18584 .19559 .2238 .0066 |
|
O(7) .28535 .28610 .9183 .0061 |
|
O(8) .26992 .20946 .5582 .0072 |
|
H(3) .1307 .8693 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L22, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018439 |
|
15.8306 15.8306 7.0999 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .7613 .683 .0135 |
|
NaX 0 0 .7613 .247 .0135 |
|
PbX 0 0 .7613 .006 .0135 |
|
TiY .06180 .93820 .3644 .001 .0093 |
|
AlY .06180 .93820 .3644 .413 .0093 |
|
FeY .06180 .93820 .3644 .021 .0093 |
|
MgY .06180 .93820 .3644 .009 .0093 |
|
MnY .06180 .93820 .3644 .012 .0093 |
|
LiY .06180 .93820 .3644 .544 .0093 |
|
AlZ .25963 .29673 .38811 .00570 |
|
SiT .19025 .19212 0 .00454 |
|
B .89128 .10872 .5457 .0066 |
|
F(1d) .0109 .0217 .2119 .213 .0129 |
|
OH(1d) .0109 .0217 .2119 .12 .0129 |
|
O(2d) .9317 .0515 .5196 .5 .0103 |
|
O(3) .13446 .86554 .4897 .0100 |
|
O(4) .90789 .09211 .9251 .0075 |
|
O(5) .09201 .90799 .9037 .0084 |
|
O(6) .18584 .19559 .2238 .0066 |
|
O(7) .28535 .28610 .9183 .0061 |
|
O(8) .26992 .20946 .5582 .0072 |
|
H(3) .1307 .8693 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L23, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018440 |
|
15.8299 15.8299 7.1009 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76143 .695 .0141 |
|
NaX 0 0 .76143 .24 .0141 |
|
PbX 0 0 .76143 .007 .0141 |
|
TiY .06195 .93805 .36442 .001 .0104 |
|
AlY .06195 .93805 .36442 .439 .0104 |
|
FeY .06195 .93805 .36442 .019 .0104 |
|
MgY .06195 .93805 .36442 .007 .0104 |
|
MnY .06195 .93805 .36442 .011 .0104 |
|
LiY .06195 .93805 .36442 .523 .0104 |
|
AlZ .25958 .29670 .38819 .00602 |
|
SiT .19019 .19212 0 .00503 |
|
B .89117 .10883 .5447 .0068 |
|
F(1o) 0 0 .2116 .678 .0500 |
|
OH(1o) 0 0 .2116 .322 .0500 |
|
O(2o) .94020 .05980 .5197 .0162 |
|
O(3) .13461 .86539 .4898 .0104 |
|
O(4) .90778 .09222 .9251 .0082 |
|
O(5) .09197 .90803 .90347 .0083 |
|
O(6) .18598 .19565 .22363 .00692 |
|
O(7) .28533 .28597 .91836 .00607 |
|
O(8) .26995 .20957 .55790 .00736 |
|
H(3) .1308 .8692 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L23, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018441 |
|
15.8299 15.8299 7.1009 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76143 .695 .0141 |
|
NaX 0 0 .76143 .24 .0141 |
|
PbX 0 0 .76143 .007 .0141 |
|
TiY .06195 .93805 .36442 .001 .0104 |
|
AlY .06195 .93805 .36442 .439 .0104 |
|
FeY .06195 .93805 .36442 .019 .0104 |
|
MgY .06195 .93805 .36442 .007 .0104 |
|
MnY .06195 .93805 .36442 .011 .0104 |
|
LiY .06195 .93805 .36442 .523 .0104 |
|
AlZ .25958 .29670 .38819 .00602 |
|
SiT .19019 .19212 0 .00503 |
|
B .89117 .10883 .5447 .0068 |
|
F(1d) .01083 .0217 .2114 .226 .0140 |
|
OH(1d) .01083 .0217 .2114 .17 .0140 |
|
O(2d) .93117 .05087 .5195 .5 .0088 |
|
O(3) .13461 .86539 .4898 .0104 |
|
O(4) .90778 .09222 .9251 .0082 |
|
O(5) .09197 .90803 .90347 .0083 |
|
O(6) .18598 .19565 .22363 .00692 |
|
O(7) .28533 .28597 .91836 .00607 |
|
O(8) .26995 .20957 .55790 .00736 |
|
H(3) .1308 .8692 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L24, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018442 |
|
15.8286 15.8286 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76087 .684 .0137 |
|
NaX 0 0 .76087 .238 .0137 |
|
PbX 0 0 .76087 .013 .0137 |
|
AlY .06187 .93813 .36431 .431 .0110 |
|
FeY .06187 .93813 .36431 .013 .0110 |
|
MnY .06187 .93813 .36431 .016 .0110 |
|
LiY .06187 .93813 .36431 .54 .0110 |
|
AlZ .25962 .29673 .38823 .00610 |
|
SiT .19019 .19209 0 .00501 |
|
B .89119 .10881 .5453 .0066 |
|
F(1o) 0 0 .2118 .712 .0498 |
|
OH(1o) 0 0 .2118 .288 .0498 |
|
O(2o) .94008 .05992 .5195 .0160 |
|
O(3) .13465 .86535 .4900 .0103 |
|
O(4) .90786 .09214 .9252 .0081 |
|
O(5) .09191 .90809 .9036 .0084 |
|
O(6) .18601 .19570 .22385 .0074 |
|
O(7) .28541 .28595 .91837 .0062 |
|
O(8) .26994 .20947 .55795 .0074 |
|
H(3) .1328 .8672 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L24, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018443 |
|
15.8286 15.8286 7.1012 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76087 .684 .0137 |
|
NaX 0 0 .76087 .238 .0137 |
|
PbX 0 0 .76087 .013 .0137 |
|
AlY .06187 .93813 .36431 .431 .0110 |
|
FeY .06187 .93813 .36431 .013 .0110 |
|
MnY .06187 .93813 .36431 .016 .0110 |
|
LiY .06187 .93813 .36431 .54 .0110 |
|
AlZ .25962 .29673 .38823 .00610 |
|
SiT .19019 .19209 0 .00501 |
|
B .89119 .10881 .5453 .0066 |
|
F(1d) .01087 .0217 .2116 .237 .0136 |
|
OH(1d) .01087 .0217 .2116 .096 .0136 |
|
O(2d) .9310 .0510 .5192 .5 .00864 |
|
O(3) .13465 .86535 .4900 .0103 |
|
O(4) .90786 .09214 .9252 .0081 |
|
O(5) .09191 .90809 .9036 .0084 |
|
O(6) .18601 .19570 .22385 .0074 |
|
O(7) .28541 .28595 .91837 .0062 |
|
O(8) .26994 .20947 .55795 .0074 |
|
H(3) .1328 .8672 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L25, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018444 |
|
15.8438 15.8438 7.1043 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76157 .61 .0144 |
|
NaX 0 0 .76157 .322 .0144 |
|
PbX 0 0 .76157 .007 .0144 |
|
TiY .06196 .93804 .36551 .002 .0098 |
|
AlY .06196 .93804 .36551 .38 .0098 |
|
FeY .06196 .93804 .36551 .04 .0098 |
|
MgY .06196 .93804 .36551 .019 .0098 |
|
MnY .06196 .93804 .36551 .02 .0098 |
|
LiY .06196 .93804 .36551 .538 .0098 |
|
AlZ .25973 .29684 .38806 .00601 |
|
SiT .19018 .19211 0 .00480 |
|
B .89103 .10897 .5447 .0065 |
|
F(1o) 0 0 .2121 .633 .0526 |
|
OH(1o) 0 0 .2121 .337 .0526 |
|
O(2o) .94003 .05997 .5196 .0157 |
|
O(3) .13475 .86525 .4900 .0098 |
|
O(4) .90785 .09215 .9255 .0080 |
|
O(5) .09202 .90798 .9040 .0079 |
|
O(6) .18627 .19593 .22362 .0068 |
|
O(7) .28533 .28590 .91835 .0062 |
|
O(8) .27008 .20966 .55791 .0075 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L25, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018445 |
|
15.8438 15.8438 7.1043 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76157 .61 .0144 |
|
NaX 0 0 .76157 .322 .0144 |
|
PbX 0 0 .76157 .007 .0144 |
|
TiY .06196 .93804 .36551 .002 .0098 |
|
AlY .06196 .93804 .36551 .38 .0098 |
|
FeY .06196 .93804 .36551 .04 .0098 |
|
MgY .06196 .93804 .36551 .019 .0098 |
|
MnY .06196 .93804 .36551 .02 .0098 |
|
LiY .06196 .93804 .36551 .538 .0098 |
|
AlZ .25973 .29684 .38806 .00601 |
|
SiT .19018 .19211 0 .00480 |
|
B .89103 .10897 .5447 .0065 |
|
F(1d) .01128 .0226 .2119 .211 .0125 |
|
OH(1d) .01128 .0226 .2119 .112 .0125 |
|
O(2d) .9308 .0509 .5194 .5 .0079 |
|
O(3) .13475 .86525 .4900 .0098 |
|
O(4) .90785 .09215 .9255 .0080 |
|
O(5) .09202 .90798 .9040 .0079 |
|
O(6) .18627 .19593 .22362 .0068 |
|
O(7) .28533 .28590 .91835 .0062 |
|
O(8) .27008 .20966 .55791 .0075 |
|
H(3) .1316 .8684 .623 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L26, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018446 |
|
15.8368 15.8368 7.1014 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .66 .0146 |
|
NaX 0 0 .76167 .272 .0146 |
|
PbX 0 0 .76167 .005 .0146 |
|
TiY .06181 .93819 .36473 .003 .0117 |
|
AlY .06181 .93819 .36473 .398 .0117 |
|
FeY .06181 .93819 .36473 .031 .0117 |
|
MnY .06181 .93819 .36473 .017 .0117 |
|
LiY .06181 .93819 .36473 .549 .0117 |
|
AlZ .25973 .29686 .38801 .00606 |
|
SiT .19014 .19207 0 .00490 |
|
B .89129 .10871 .5444 .0061 |
|
OH(1o) 0 0 .2120 .566 .0533 |
|
F(1o) 0 0 .2120 .434 .0533 |
|
O(2o) .94003 .05997 .5199 .0160 |
|
O(3) .13473 .86527 .4903 .0098 |
|
O(4) .90784 .09216 .9254 .0081 |
|
O(5) .09199 .90801 .9040 .0085 |
|
O(6) .18617 .19589 .22343 .0071 |
|
O(7) .28545 .28601 .91837 .0061 |
|
O(8) .26993 .20961 .55783 .0073 |
|
H(3) .1272 .8728 .618 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L26, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018447 |
|
15.8368 15.8368 7.1014 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76167 .66 .0146 |
|
NaX 0 0 .76167 .272 .0146 |
|
PbX 0 0 .76167 .005 .0146 |
|
TiY .06181 .93819 .36473 .003 .0117 |
|
AlY .06181 .93819 .36473 .398 .0117 |
|
FeY .06181 .93819 .36473 .031 .0117 |
|
MnY .06181 .93819 .36473 .017 .0117 |
|
LiY .06181 .93819 .36473 .549 .0117 |
|
AlZ .25973 .29686 .38801 .00606 |
|
SiT .19014 .19207 0 .00490 |
|
B .89129 .10871 .5444 .0061 |
|
OH(1d) .01074 .0215 .2117 .189 .0037 |
|
F(1d) .01074 .0215 .2117 .144 .0037 |
|
O(2d) .9312 .0513 .5192 .5 .0092 |
|
O(3) .13473 .86527 .4903 .0098 |
|
O(4) .90784 .09216 .9254 .0081 |
|
O(5) .09199 .90801 .9040 .0085 |
|
O(6) .18617 .19589 .22343 .0071 |
|
O(7) .28545 .28601 .91837 .0061 |
|
O(8) .26993 .20961 .55783 .0073 |
|
H(3) .1272 .8728 .618 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L27, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018448 |
|
15.8333 15.8333 7.1025 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76151 .614 .0147 |
|
NaX 0 0 .76151 .311 .0147 |
|
PbX 0 0 .76151 .006 .0147 |
|
TiY .06183 .93817 .36530 .006 .0112 |
|
AlY .06183 .93817 .36530 .424 .0112 |
|
FeY .06183 .93817 .36530 .052 .0112 |
|
MgY .06183 .93817 .36530 .006 .0112 |
|
MnY .06183 .93817 .36530 .019 .0112 |
|
LiY .06183 .93817 .36530 .494 .0112 |
|
AlZ .25964 .29677 .38811 .00613 |
|
SiT .19022 .19214 0 .00500 |
|
B .89123 .10877 .5450 .0067 |
|
F(1o) 0 0 .2118 .633 .0501 |
|
OH(1o) 0 0 .2118 .367 .0501 |
|
O(2o) .94003 .05997 .5198 .0159 |
|
O(3) .13484 .86516 .4899 .0103 |
|
O(4) .90794 .09206 .9255 .0083 |
|
O(5) .09200 .90800 .9041 .0087 |
|
O(6) .18609 .19576 .22360 .0068 |
|
O(7) .28528 .28590 .91825 .0063 |
|
O(8) .26999 .20960 .55798 .0073 |
|
H(3) .1312 .8688 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L27, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018449 |
|
15.8333 15.8333 7.1025 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76151 .614 .0147 |
|
NaX 0 0 .76151 .311 .0147 |
|
PbX 0 0 .76151 .006 .0147 |
|
TiY .06183 .93817 .36530 .006 .0112 |
|
AlY .06183 .93817 .36530 .424 .0112 |
|
FeY .06183 .93817 .36530 .052 .0112 |
|
MgY .06183 .93817 .36530 .006 .0112 |
|
MnY .06183 .93817 .36530 .019 .0112 |
|
LiY .06183 .93817 .36530 .494 .0112 |
|
AlZ .25964 .29677 .38811 .00613 |
|
SiT .19022 .19214 0 .00500 |
|
B .89123 .10877 .5450 .0067 |
|
F(1d) .01099 .0220 .2119 .211 .0131 |
|
OH(1d) .01099 .0220 .2119 .122 .0131 |
|
O(2d) .9307 .0507 .5198 .5 .0080 |
|
O(3) .13484 .86516 .4899 .0103 |
|
O(4) .90794 .09206 .9255 .0083 |
|
O(5) .09200 .90800 .9041 .0087 |
|
O(6) .18609 .19576 .22360 .0068 |
|
O(7) .28528 .28590 .91825 .0063 |
|
O(8) .26999 .20960 .55798 .0073 |
|
H(3) .1312 .8688 .622 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L28, ordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018450 |
|
15.8404 15.8404 7.1039 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .63 .0153 |
|
NaX 0 0 .76133 .338 .0153 |
|
PbX 0 0 .76133 .007 .0153 |
|
TiY .06210 .93790 .36663 .004 .0104 |
|
AlY .06210 .93790 .36663 .401 .0104 |
|
FeY .06210 .93790 .36663 .041 .0104 |
|
MgY .06210 .93790 .36663 .023 .0104 |
|
MnY .06210 .93790 .36663 .023 .0104 |
|
LiY .06210 .93790 .36663 .508 .0104 |
|
AlZ .25975 .29691 .38799 .00619 |
|
SiT .19019 .19212 0 .00504 |
|
B .89101 .10899 .5448 .0067 |
|
F(1o) 0 0 .2122 .691 .0534 |
|
OH(1o) 0 0 .2122 .309 .0534 |
|
O(2o) .94000 .06000 .5199 .0160 |
|
O(3) .13473 .86527 .4897 .0102 |
|
O(4) .90788 .09212 .9257 .0084 |
|
O(5) .09206 .90794 .9044 .0082 |
|
O(6) .18633 .19591 .22364 .0071 |
|
O(7) .28542 .28587 .91841 .00608 |
|
O(8) .26994 .20957 .55782 .0076 |
|
H(3) .1339 .8661 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Lussier A J, Abdu Y, Hawthorne F C, Michaelis V K, Aguiar P M, Kroeker S |
| |
The Canadian Mineralogist 49 (2011) 63-88 |
|
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. |
|
I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy |
|
Sample: L28, disordered model |
|
Locality: Anjanabonoina, central Madagascar |
|
_database_code_amcsd 0018451 |
|
15.8404 15.8404 7.1039 90 90 120 R3m |
|
atom x y z occ Uiso |
|
CaX 0 0 .76133 .63 .0153 |
|
NaX 0 0 .76133 .338 .0153 |
|
PbX 0 0 .76133 .007 .0153 |
|
TiY .06210 .93790 .36663 .004 .0104 |
|
AlY .06210 .93790 .36663 .401 .0104 |
|
FeY .06210 .93790 .36663 .041 .0104 |
|
MgY .06210 .93790 .36663 .023 .0104 |
|
MnY .06210 .93790 .36663 .023 .0104 |
|
LiY .06210 .93790 .36663 .508 .0104 |
|
AlZ .25975 .29691 .38799 .00619 |
|
SiT .19019 .19212 0 .00504 |
|
B .89101 .10899 .5448 .0067 |
|
F(1d) .01123 .0225 .2120 .23 .0144 |
|
OH(1d) .01123 .0225 .2120 .103 .0144 |
|
O(2d) .9309 .0510 .5198 .5 .0086 |
|
O(3) .13473 .86527 .4897 .0102 |
|
O(4) .90788 .09212 .9257 .0084 |
|
O(5) .09206 .90794 .9044 .0082 |
|
O(6) .18633 .19591 .22364 .0071 |
|
O(7) .28542 .28587 .91841 .00608 |
|
O(8) .26994 .20957 .55782 .0076 |
|
H(3) .1339 .8661 .625 .015 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Manitobaite |
| |
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C |
| |
The Canadian Mineralogist 49 (2011) 1221-1242 |
|
The crystal structure and crystal chemistry of manitobaite, |
|
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba |
|
Note: green sample |
|
Locality: Cross Lake, Manitoba, Canada |
|
_database_code_amcsd 0018618 |
|
13.4517 12.5266 26.6765 90 101.582 90 Pc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .27507 .48754 .53463 .0110 .0090 .0096 .0142 -.0008 .0014 .0008 |
|
Mn2 .08521 .51473 .23568 .0098 .0144 .0092 .0056 -.0009 .0018 .0009 |
|
Mn3 .38701 .01272 .43005 .0086 .0101 .0059 .0095 .0014 .0008 .0007 |
|
Mn4 .04125 .25301 -.20979 .0203 .0186 .0128 .0319 -.0008 .0111 -.0010 |
|
Mn5 .22275 .24635 .57565 .0093 .0030 .0043 .0222 -.0008 .0064 .0007 |
|
Mn6 .87662 .48637 -.06323 .0097 .0084 .0115 .0091 .0000 .0014 .0005 |
|
Mn7 .43438 .24765 .38375 .0105 .0102 .0051 .0182 -.0017 .0078 -.0027 |
|
Mn8 .82869 .25261 -.01776 .0144 .0100 .0104 .0236 .0000 .0059 -.0005 |
|
Mn9 .17913 -.01368 .13076 .0104 .0115 .0097 .0095 .0013 .0012 -.0017 |
|
Mn10 -.01129 -.01214 .33218 .0077 .0101 .0094 .0040 -.0017 .0020 -.0009 |
|
Fe1 .19871 .39896 .34672 .0059 .0072 .0054 .0053 .0012 .0019 .0013 |
|
Fe2 .59775 .39878 -.05414 .0081 .0086 .0056 .0096 -.0003 .0010 .0001 |
|
Fe3 .99429 .60248 .04841 .0085 .0082 .0080 .0085 .0032 .0001 -.0017 |
|
Fe4 .49414 .09107 .04032 .0111 .0095 .0158 .0070 -.0009 -.0007 -.0001 |
|
Fe5 .77060 .40985 .32664 .0077 .0085 .0060 .0094 -.0001 .0038 .0010 |
|
Fe6 .06581 .10090 .02103 .0111 .0116 .0098 .0113 -.0018 .0010 -.0018 |
|
Fe7 .26967 .10208 -.18088 .0095 .0096 .0086 .0102 .0027 .0020 -.0012 |
|
Fe8 .66696 -.10120 -.07847 .0091 .0098 .0095 .0083 -.0002 .0026 .0025 |
|
FeX1 .17085 .58558 .42249 .67 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
AlX1 .17085 .58558 .42249 .21 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
MgX1 .17085 .58558 .42249 .12 .0086 .0098 .0069 .0095 -.0009 .0029 -.0015 |
|
FeX2 .09331 .08534 .44465 .68 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 |
|
MgX2 .09331 .08534 .44465 .32 .0081 .0073 .0087 .0071 -.0014 -.0011 -.0016 |
|
MnM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 |
|
FeM1 .40036 .39500 .14503 .5 .0139 .0156 .0122 .0133 -.0020 .0015 .0010 |
|
FeM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 |
|
MnM2 .86433 .10538 .22203 .5 .0055 .0043 .0095 .0031 .0011 .0015 -.0020 |
|
MnY1 .63196 .25018 .18278 .36 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 |
|
CaY1 .63196 .25018 .18278 .64 .0211 .0128 .0110 .0431 -.0037 .0142 -.0070 |
|
CaZ1 .48574 .48313 .33333 .28 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 |
|
CaZ1 .48574 .48313 .33333 .72 .0097 .0088 .0071 .0125 -.0004 .0007 .0030 |
|
CaZ2 .77802 .01716 .03361 .16 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 |
|
MnZ2 .77802 .01716 .03361 .84 .0130 .0169 .0135 .0085 -.0006 .0026 -.0009 |
|
Al1 .79378 .40085 -.24963 .79 .0091 |
|
Fe1 .79378 .40085 -.24963 .21 .0091 |
|
Al2 .69337 .08254 -.15735 .93 .0111 |
|
Fe2 .69337 .08254 -.15735 .07 .0111 |
|
Al3 .57167 .41841 .52499 .99 .0033 |
|
Fe3 .57167 .41841 .52499 .01 .0033 |
|
Al4 .47177 -.09752 .11731 .84 .0038 |
|
Fe4 .47177 -.09752 .11731 .16 .0038 |
|
Al5 .37517 .59176 .22079 .89 .0053 |
|
Fe5 .37517 .59176 .22079 .11 .0053 |
|
Al6 .96963 .41774 .12540 .68 .0028 |
|
Fe6 .96963 .41774 .12540 .32 .0028 |
|
Al7 -.11089 -.09417 .14659 .71 .0158 |
|
Fe7 -.11089 -.09417 .14659 .29 .0158 |
|
Al8 .29588 .08395 .24195 .52 .0127 |
|
Fe8 .29588 .08395 .24195 .48 .0127 |
|
P1 .40209 .13488 .14892 .0030 |
|
P2 .70153 .34258 -.14612 .0066 |
|
P3 .30164 .34793 .25316 .0091 |
|
P4 .60162 .13727 -.05494 .0063 |
|
P5 .09175 .35266 .45270 .0063 |
|
P6 .38732 .46137 .43812 .0062 |
|
P7 .20519 .13444 .34885 .0062 |
|
P8 .05946 .36547 .01903 .0082 |
|
P9 .26781 .36553 -.18399 .0070 |
|
P10 .18424 .53436 .13790 .0073 |
|
P11 -.01674 .53784 .33383 .0071 |
|
P12 .49305 .35253 .05063 .0075 |
|
P13 .86212 .36354 .21862 .0127 |
|
P14 .78071 .46791 .03942 .0081 |
|
P15 .58616 .47773 .23731 .0112 |
|
P16 .56239 .15909 .51283 .0065 |
|
P17 .90474 .35027 -.33908 .0066 |
|
P18 .36003 .15004 .70594 .0094 |
|
P19 .17276 -.14959 .41438 .0099 |
|
P20 .45212 .35515 .61159 .0100 |
|
P21 .81270 .14356 -.24362 .0040 |
|
P22 .28217 .03770 .53366 .0079 |
|
P23 -.03645 .15884 .11323 .0108 |
|
P24 .99742 .86386 .05301 .0087 |
|
P25 .66298 .36209 .42220 .0078 |
|
P26 .07951 -.03460 .22874 .0066 |
|
P27 .48318 .03183 .32755 .0059 |
|
P28 .77030 .14964 .31600 .0069 |
|
P29 .87667 .03750 -.07163 .0080 |
|
P30 .67915 .02383 .12999 .0048 |
|
Na1 .58711 .01517 .22905 .72 .0053 |
|
Ca1 .58711 .01517 .22905 .28 .0053 |
|
Na2 .67265 .48283 .13788 .64 .0104 |
|
Ca2 .67265 .48283 .13788 .36 .0104 |
|
Na3 .7783 .7265 .04229 .0243 |
|
Na4 .2800 .2288 .03146 .0289 |
|
Na5 .1823 .2689 .13214 .0279 |
|
Na6 .8829 .7743 -.06103 .0238 |
|
Na7 .32117 .2532 .47428 .0123 |
|
Na8 .52955 .2480 .27670 .93 .0125 |
|
Na9 .3820 -.2751 .42969 .99 .0183 |
|
Na10 .1266 .7510 .17767 .0123 |
|
Na11 .9843 .2745 .33739 .93 .0163 |
|
Na12 .4874 .2275 -.17186 .0256 |
|
Na13 .0844 .2286 .23757 .99 .0212 |
|
Na14 .72405 .2534 .07897 .0170 |
|
Na15 .9333 .2464 -.11579 .93 .0156 |
|
Na16A .5869 .2584 -.2831 .45 .027 |
|
Na16B .6768 .2455 .6541 .55 .037 |
|
O1 .2157 -.0369 .55875 .0091 |
|
O2 .3082 .5281 .45960 .0046 |
|
O3 .5526 .2423 -.07616 .0081 |
|
O4 .1419 .4256 -.00312 .0156 |
|
O5 .2672 -.0947 .39937 .0142 |
|
O6 .0307 .4315 .06254 .0170 |
|
O7 .5675 .3456 .37889 .0092 |
|
O8 .3126 .2592 -.16320 .0112 |
|
O9 .1037 .2592 .03920 .0100 |
|
O10 .9626 .3513 -.02450 .0065 |
|
O11 .0575 .0976 .10099 .0156 |
|
O12 .1041 .4660 .15834 .0120 |
|
O13 .9486 .7598 .03040 .0106 |
|
O14 .6578 .0992 .50275 .0105 |
|
O15 .1671 .3473 -.22442 .0032 |
|
O16 .3448 .4172 -.21388 .0129 |
|
O17 .7442 .4056 -.18626 .0121 |
|
O18 .3527 .3466 .57063 .0050 |
|
O19 .5321 .4158 .58863 .0068 |
|
O20 .7002 .5388 .05777 .0117 |
|
O21 .2443 .4358 -.14177 .0139 |
|
O22 .4782 .1618 .46357 .0085 |
|
O23 .1347 .6220 .10101 .0160 |
|
O24 .7861 .3333 -.09712 .0133 |
|
O25 .7441 .4243 .40206 .0135 |
|
O26 .9338 .4226 -.38092 .0107 |
|
O27 .2078 -.2567 .43725 .0128 |
|
O28 .4160 -.0399 .35359 .0057 |
|
O29 .6307 .4298 .46454 .0109 |
|
O30 .8377 .4021 .08442 .0148 |
|
O31 .3977 .2575 .72980 .0137 |
|
O32 .5981 .2696 .53140 .0069 |
|
O33 .9434 .4199 .19349 .0152 |
|
O34 .1758 .3383 .50052 .0132 |
|
O35 .0574 .2412 .4292 .0179 |
|
O36 .8353 .0808 -.28988 .0135 |
|
O37 .3520 .2357 .12195 .0090 |
|
O38 .1340 -.0858 .45503 .0131 |
|
O39 .0851 -.1569 .36618 .0097 |
|
O40 .8293 .4406 .25769 .0185 |
|
O41 .3866 .3306 .30186 .0152 |
|
O42 .6666 .2286 -.16624 .0130 |
|
O43 .7689 .3374 .17650 .0107 |
|
O44 .8135 -.0357 -.04471 .0092 |
|
O45 .4444 .0971 .68327 .0084 |
|
O46 .5009 .5439 .25249 .0112 |
|
O47 .1578 .2407 .32789 .0115 |
|
O48 -.0884 .4744 .36085 .0075 |
|
O49 .8645 .0941 .30139 .0110 |
|
O50 .6288 .4081 .28293 .0189 |
|
O51 .3378 .3751 .39965 .0132 |
|
O52 .6046 -.0526 .14860 .0077 |
|
O53 .4929 .2449 .62732 .0091 |
|
O54 .4478 .3950 .48267 .0113 |
|
O55 .0191 -.0951 .18236 .0109 |
|
O56 .7273 .0740 .35189 .0165 |
|
O57 .9993 .3346 -.29549 .0156 |
|
O58 .0016 .2712 .13359 .0173 |
|
O59 .2438 .5963 .1838 .0180 |
|
O60 .9263 .1256 -.03436 .0101 |
|
O61 .7335 .3806 .00169 .0145 |
|
O62 .3376 .1147 .57543 .0102 |
|
O63 .4549 .2504 .02053 .0125 |
|
O64 .8187 .1026 -.11683 .0109 |
|
O65 .8467 .5405 .01414 .0141 |
|
O66 .0164 .0390 .25565 .0072 |
|
O67 .8090 .2509 .34555 .0133 |
|
O68 .5727 .3234 .09851 .0163 |
|
O69 .2475 .4604 .11107 .0136 |
|
O70 .4522 .5346 .41105 .0148 |
|
O71 .6598 .5557 .21891 .0131 |
|
O72 -.0751 .6144 .29081 .0157 |
|
O73 .3314 .0832 .74857 .0130 |
|
O74 .3450 .4189 .21420 .0134 |
|
O75 .4315 .4180 .65766 .0096 |
|
O76 .7170 .1038 .17244 .0090 |
|
O77 .2364 .0675 .30558 .0068 |
|
O78 .0455 .6191 .36917 .0141 |
|
O79 .5492 .4019 .19203 .0189 |
|
O80 .9105 .2658 .24579 .0170 |
|
O81 .1299 .4240 .41313 .0127 |
|
O82 .2208 .1147 .49404 .0180 |
|
O83 .5201 .0974 .55388 .0071 |
|
O84 .2665 .1623 .66292 .0071 |
|
O85 -.0765 .1028 .15428 .0186 |
|
O86 .1288 -.1220 .26605 .0077 |
|
O87 .0468 .4610 .30830 .0112 |
|
O88 .4382 .0581 .11045 .0037 |
|
O89 .3506 -.0275 .50570 .0124 |
|
O90 .1575 .0324 .20642 .0097 |
|
O91 .7082 .2569 .44322 .0159 |
|
O92 -.1212 .1644 .06483 .0113 |
|
O93 .7692 .2541 -.26036 .0133 |
|
O94 .4276 .0946 .28069 .0133 |
|
O95 .5406 .4294 .01605 .0055 |
|
O96 .5218 .0714 -.03358 .0055 |
|
O97 .5284 .1185 .36695 .0096 |
|
O98 -.0001 .4053 .46792 .0081 |
|
O99 .4027 .4079 .06671 .0096 |
|
O100 .0979 .8463 .09005 .0180 |
|
O101 .6967 .1581 -.01362 .0129 |
|
O102 .7318 .0802 -.22270 .0116 |
|
O103 .9531 -.0296 -.0935 .0181 |
|
O104 .6349 .0694 -.09713 .0077 |
|
O105 .6104 .4017 -.13406 .0114 |
|
O106 .3183 .0772 .17134 .0112 |
|
O107 .1241 .0736 .36999 .0117 |
|
O108 .9177 .9237 .07648 .0139 |
|
O109 .6867 .1697 .26900 .0122 |
|
O110 .9147 .1551 -.20436 .0138 |
|
O111 .2092 .4018 .26655 .0084 |
|
O112 .4951 .1667 .18886 .0138 |
|
O113 .3019 .1508 .38952 .0116 |
|
O114 .8158 .4044 -.32021 .0129 |
|
O115 .0183 .9365 .00970 .0117 |
|
O116 .5602 -.0384 .30651 .0065 |
|
O117 .6384 .0874 .08163 .0131 |
|
O118 .8662 .2417 -.3630 .0181 |
|
O119 .7632 -.0443 .11237 .0169 |
|
O120 .2656 .2389 .23025 .0213 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Manitobaite |
| |
Tait K T, Ercit T S, Abdu Y A, Cerny P, Hawthorne F C |
| |
The Canadian Mineralogist 49 (2011) 1221-1242 |
|
The crystal structure and crystal chemistry of manitobaite, |
|
ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba |
|
Note: brown sample |
|
Locality: Cross Lake, Manitoba, Canada |
|
_database_code_amcsd 0018619 |
|
13.4499 12.5046 26.6148 90 101.221 90 Pc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn1 .275289 .488393 .535181 .01113 .00980 .01328 .01084 -.00104 .00330 .00029 |
|
Mn2 .084665 .511012 .235879 .00369 .00533 .00499 .00107 -.00011 .00140 -.00087 |
|
Mn3 .388493 .013166 .429833 .00539 .00481 .00521 .00637 .00017 .00163 -.00085 |
|
Mn4 .039362 .253828 -.212158 .01915 .01595 .01367 .02879 -.00095 .00670 -.00128 |
|
Mn5 .223740 .247211 .577391 .01022 .00467 .00353 .02546 -.00087 .01037 .00149 |
|
Mn6 .875860 .487213 -.063037 .01339 .01544 .01344 .01058 .00100 .00072 .00222 |
|
Mn7 .434902 .248667 .381585 .01324 .00891 .00537 .02676 .00347 .00673 -.00044 |
|
Mn8 .829743 .252777 -.016628 .01397 .01060 .00878 .02342 -.00442 .00548 -.00223 |
|
Mn9 .180012 -.011333 .131105 .01787 .02006 .01786 .01454 .00237 .00056 -.00111 |
|
Mn10 -.010780 -.011785 .331872 .00716 .00968 .00604 .00530 -.00298 .00031 -.00163 |
|
Fe1 .198527 .398349 .346680 .00923 .01055 .00785 .01027 .00015 .00443 .00096 |
|
Fe2 .597455 .397580 -.054478 .01133 .01370 .00906 .01114 .00164 .00220 .00369 |
|
Fe3 .992960 .603527 .048612 .00666 .00884 .00822 .00242 -.00084 -.00016 .00048 |
|
Fe4 .494370 .091271 .041046 .01080 .01047 .01141 .00978 -.00159 .00012 -.00172 |
|
Fe5 .770588 .409639 .326560 .00609 .00569 .00867 .00423 .00026 .00179 .00209 |
|
Fe6 .066056 1.102577 .020953 .00714 .00810 .00525 .00620 -.00027 -.00325 -.00107 |
|
Fe7 .270389 .103308 -.181010 .01067 .01118 .00626 .01427 -.00039 .00170 .00035 |
|
Fe8 .667519 -.101813 -.079244 .00492 .00483 .00498 .00521 .00122 .00162 .00600 |
|
FeX1 .171047 .585961 .423389 .70 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 |
|
AlX1 .171047 .585961 .423389 .30 .00874 .00863 .00789 .00931 -.00083 .00080 .00057 |
|
FeX2 .093311 .085168 .445086 .62 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 |
|
AlX2 .093311 .085168 .445086 .38 .00632 .00695 .00657 .00507 -.00095 .00026 .00043 |
|
MnM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 |
|
FeM1 .398564 .393158 .145179 .50 .01428 .01842 .01422 .00902 .00064 -.00023 .00306 |
|
FeM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 |
|
MnM2 .866058 .107348 .221745 .50 .00586 .00604 .00601 .00559 .00094 .00132 -.00404 |
|
CaY1 .62967 .25097 .177303 .66 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 |
|
MnY1 .62967 .25097 .177303 .34 .01998 .00856 .00898 .04212 -.00099 .00423 -.00124 |
|
CaZ1 .487283 .484311 .333293 .16 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 |
|
MnZ1 .487283 .484311 .333293 .84 .00866 .00867 .00938 .00742 -.00409 .00033 .00348 |
|
CaZ2 .777816 .01746 .033332 .27 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 |
|
MnZ2 .777816 .01746 .033332 .73 .01491 .01880 .01330 .01183 .00056 .00104 -.00055 |
|
Na1 .59115 .01595 .229211 .61 .00749 |
|
Ca1 .59115 .01595 .229211 .39 .00749 |
|
Na2 .67392 .48572 .137898 .64 .01596 |
|
Ca2 .67392 .48572 .137898 .36 .01596 |
|
Na3 .77758 .72828 .04320 .83 .02469 |
|
Na4 .27766 .23226 .03604 .02821 |
|
Na5 .17900 .26727 .13857 .64 .0327 |
|
Na6 .88371 .77215 -.06119 .02042 |
|
Na7 .32368 .25332 .47543 .01254 |
|
Na8 .53007 .24815 .27562 .90 .01437 |
|
Na9 .38295 -.27238 .43047 .91 .02453 |
|
Na10 .12781 .74978 .17951 .01491 |
|
Na11 .98501 .27302 .33573 .80 .02071 |
|
Na12 .48787 .22765 -.17178 .90 .02836 |
|
Na13 .08484 .22981 .23605 .66 .0242 |
|
Na14 .72461 .25403 .07985 .81 .01986 |
|
Na15 .93188 .24718 -.11657 .92 .01751 |
|
Na16A .59083 .25046 -.28804 .35 .0245 |
|
Na16B .67976 .24262 .64754 .53 .0495 |
|
Al1 .79342 .40049 -.250217 .75 .01107 |
|
Fe1 .79342 .40049 -.250217 .25 .01107 |
|
Al2 .69418 .08221 -.157387 .90 .01052 |
|
Fe2 .69418 .08221 -.157387 .10 .01052 |
|
Al3 .57235 .41914 .525267 .00351 |
|
Al4 .47268 -.09917 .117278 .80 .00208 |
|
Fe4 .47268 -.09917 .117278 .20 .00208 |
|
Al5 .37424 .59111 .221204 .85 .00431 |
|
Fe5 .37424 .59111 .221204 .15 .00431 |
|
Al6 .96999 .41537 .125472 .65 .00488 |
|
Fe6 .96999 .41537 .125472 .35 .00488 |
|
Al7 -.10993 -.09204 .146562 .60 .01560 |
|
Fe7 -.10993 -.09204 .146562 .40 .01560 |
|
Al8 .29549 .08434 .242488 .55 .01013 |
|
Fe8 .29549 .08434 .242488 .45 .01013 |
|
P1 .40451 .13325 .149780 .00270 |
|
P2 .70158 .34239 -.146100 .00683 |
|
P3 .30326 .34825 .254888 .01117 |
|
P4 .60296 .13651 -.053852 .00400 |
|
P5 .09267 .35153 .453335 .00817 |
|
P6 .38566 .46182 .438171 .00596 |
|
P7 .20642 .13427 .350232 .00983 |
|
P8 .05772 .36556 .019263 .00412 |
|
P9 .26631 .36545 -.183968 .00297 |
|
P10 .18281 .53312 .137842 .00137 |
|
P11 -.01870 .53721 .334166 .00215 |
|
P12 .49317 .35141 .051195 .00500 |
|
P13 .86100 .36353 .218308 .01234 |
|
P14 .78064 .46884 .039804 .00417 |
|
P15 .58530 .47681 .236910 .00742 |
|
P16 .56115 .15930 .512140 .00521 |
|
P17 .90598 .35024 -.338620 .00485 |
|
P18 .35949 .15185 .706162 .00834 |
|
P19 .17135 -.14968 .414128 .00700 |
|
P20 .45191 .35655 .611792 .00828 |
|
P21 .81359 .14265 -.244013 .00365 |
|
P22 .28070 .03746 .533001 .01142 |
|
P23 -.03808 .15713 .112944 .00717 |
|
P24 .99974 .86526 .052822 .01038 |
|
P25 .66273 .36195 .422512 .00906 |
|
P26 .07963 -.03521 .228426 .01205 |
|
P27 .48299 .03191 .328111 .00939 |
|
P28 .77105 .15108 .315770 .00953 |
|
P29 .87654 .03654 -.071562 .00686 |
|
P30 .67863 .02137 .129560 .00855 |
|
O1 .21674 -.03608 .55823 .00800 |
|
O2 .30747 .52669 .45980 .00884 |
|
O3 .55305 .24152 -.07716 .00662 |
|
O4 .13792 .42569 -.00332 .0156 |
|
O5 .26556 -.09814 .39878 .0161 |
|
O6 .02764 .43360 .06233 .01349 |
|
O7 .56643 .34517 .37922 .00524 |
|
O8 .30991 .26048 -.16335 .01285 |
|
O9 .10025 .25998 .03795 .01167 |
|
O10 .96005 .35101 -.02412 .00439 |
|
O11 .05505 .09923 .10029 .01215 |
|
O12 .10441 .46673 .15967 .00723 |
|
O13 .95140 .75988 .02974 .01015 |
|
O14 .65420 .10117 .50142 .01293 |
|
O15 .16566 .34821 -.22387 .00663 |
|
O16 .34273 .41832 -.21353 .0158 |
|
O17 .74498 .40956 -.18626 .00833 |
|
O18 .35094 .34781 .57111 .00242 |
|
O19 .52839 .41795 .58836 .00889 |
|
O20 .69992 .53628 .05839 .01143 |
|
O21 .24399 .43814 -.14169 .01137 |
|
O22 .47675 .16285 .46343 .01086 |
|
O23 .13444 .62318 .10132 .0145 |
|
O24 .78532 .33406 -.09730 .01150 |
|
O25 .74106 .42447 .40152 .0167 |
|
O26 .93476 .42518 -.38113 .00639 |
|
O27 .20255 -.25660 .43799 .01348 |
|
O28 .41603 -.03911 .35302 .00676 |
|
O29 .62840 .42879 .46387 .01291 |
|
O30 .83757 .40431 .08445 .0160 |
|
O31 .39359 .25942 .72939 .0148 |
|
O32 .59542 .26980 .53243 .00873 |
|
O33 .94045 .41976 .19318 .0153 |
|
O34 .17881 .33998 .50054 .01211 |
|
O35 .05775 .23797 .43070 .0172 |
|
O36 .83398 .07894 -.29107 .00786 |
|
O37 .35373 .23522 .12187 .00944 |
|
O38 .13296 -.08505 .45456 .01144 |
|
O39 .08643 -.15824 .36562 .00984 |
|
O40 .82687 .44146 .25733 .0181 |
|
O41 .38564 .33355 .30288 .0154 |
|
O42 .66691 .22807 -.16540 .01098 |
|
O43 .76580 .34054 .17681 .01007 |
|
O44 .81219 -.03374 -.04447 .01054 |
|
O45 .44443 .09943 .68411 .00792 |
|
O46 .50033 .54248 .25414 .01367 |
|
O47 .15971 .24161 .32926 .01223 |
|
O48 -.09081 .47377 .36042 .00991 |
|
O49 .86311 .09522 .30078 .0157 |
|
O50 .62893 .41009 .28331 .0185 |
|
O51 .33591 .37573 .40039 .01245 |
|
O52 .60487 -.05228 .14905 .01168 |
|
O53 .49222 .24690 .62693 .00701 |
|
O54 .44568 .39669 .48218 .01333 |
|
O55 .02075 -.09473 .18161 .0162 |
|
O56 .72680 .07864 .35170 .0183 |
|
O57 .99830 .33464 -.29590 .01162 |
|
O58 -.00538 .26714 .13345 .0171 |
|
O59 .24299 .59459 .18395 .00918 |
|
O60 .92641 .12551 -.03418 .00932 |
|
O61 .73557 .38117 .00046 .01432 |
|
O62 .33624 .11596 .57466 .01071 |
|
O63 .45508 .24769 .02116 .0178 |
|
O64 .81893 .10055 -.11790 .00770 |
|
O65 .84668 .54479 .01315 .01240 |
|
O66 .01658 .03671 .25543 .01057 |
|
O67 .80800 .25312 .34477 .01258 |
|
O68 .57329 .32516 .09826 .0152 |
|
O69 .24755 .45956 .11058 .00754 |
|
O70 .44955 .53859 .41109 .01040 |
|
O71 .65900 .55698 .21859 .00892 |
|
O72 -.07492 .61498 .29190 .0135 |
|
O73 .33097 .08621 .74854 .01115 |
|
O74 .34429 .42177 .21548 .0146 |
|
O75 .42731 .41867 .65698 .01288 |
|
O76 .71743 .10078 .17361 .00970 |
|
O77 .23472 .06822 .30574 .00835 |
|
O78 .04399 .61567 .37223 .01322 |
|
O79 .54787 .39828 .19414 .0222 |
|
O80 .90513 .26569 .24341 .0202 |
|
O81 .13094 .42505 .41315 .01287 |
|
O82 .22005 .11377 .49369 .0182 |
|
O83 .52108 .09972 .55400 .00873 |
|
O84 .26508 .16070 .66199 .00867 |
|
O85 -.08032 .09769 .15288 .0139 |
|
O86 .12953 -.12225 .26584 .00674 |
|
O87 .04835 .45882 .30885 .00978 |
|
O88 .43619 .05660 .10980 .00436 |
|
O89 .35092 -.02842 .50509 .00869 |
|
O90 .16076 .03474 .20832 .01193 |
|
O91 .70690 .25683 .44061 .0194 |
|
O92 -.12272 .16204 .06349 .01157 |
|
O93 .76983 .25342 -.26072 .0152 |
|
O94 .42531 .09673 .28182 .01164 |
|
O95 .53982 .42982 .01535 .00229 |
|
O96 .52061 .07131 -.03253 .00336 |
|
O97 .52904 .11732 .36690 .00860 |
|
O98 -.00115 .40579 .46737 .00596 |
|
O99 .39952 .40659 .06559 .00634 |
|
O100 .09993 .84941 .09008 .01351 |
|
O101 .69617 .15663 -.01354 .0191 |
|
O102 .73065 .07875 -.22295 .00779 |
|
O103 .95583 -.03388 -.09308 .01104 |
|
O104 .63384 .06660 -.09710 .00571 |
|
O105 .60822 .40277 -.13401 .01022 |
|
O106 .31936 .07558 .17254 .00563 |
|
O107 .12350 .07310 .37180 .00918 |
|
O108 .91868 .92445 .07651 .00671 |
|
O109 .68989 .17131 .26779 .0193 |
|
O110 .91405 .15518 -.20477 .0152 |
|
O111 .20808 .40305 .26748 .01288 |
|
O112 .49662 .16456 .18931 .0166 |
|
O113 .30233 .14815 .38997 .0151 |
|
O114 .81511 .40349 -.31995 .0142 |
|
O115 .02269 .93559 .00856 .01119 |
|
O116 .56112 -.03936 .30709 .00565 |
|
O117 .63717 .08731 .08159 .0147 |
|
O118 .86856 .24001 -.36275 .01258 |
|
O119 .76211 -.04835 .11325 .01068 |
|
O120 .26863 .23497 .23250 .0172 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tschermakite |
 |
Abdu Y A, Hawthorne F C |
| |
The Canadian Mineralogist 47 (2009) 917-926 |
|
Crystal structure and Mossbauer spectroscopy of tschermakite from the ruby |
|
locality at Fiskenaesset, Greenland |
|
Locality: Fiskenaesset, Greenland |
|
_database_code_amcsd 0006297 |
|
9.8059 17.9721 5.3012 90 105.063 90 C2/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) |
|
NaA2 .5 -.028 0 .28 .024 |
|
NaAm .521 0 .056 .13 .024 |
|
KAm .521 0 .056 .05 .024 |
|
MgM1 0 .08899 .5 .93 .0084 .0101 .0088 .0071 0 .0035 0 |
|
FeM1 0 .08899 .5 .07 .0084 .0101 .0088 .0071 0 .0035 0 |
|
MgM2 0 .1763 0 .48 .0063 .0066 .0067 .0059 0 .0020 0 |
|
AlM2 0 .1763 0 .38 .0063 .0066 .0067 .0059 0 .0020 0 |
|
CrM2 0 .1763 0 .10 .0063 .0066 .0067 .0059 0 .0020 0 |
|
FeM2 0 .1763 0 .04 .0063 .0066 .0067 .0059 0 .0020 0 |
|
MgM3 0 0 0 .84 .0076 .0088 .0067 .0070 0 .0016 0 |
|
AlM3 0 0 0 .05 .0076 .0088 .0067 .0070 0 .0016 0 |
|
FeM3 0 0 0 .11 .0076 .0088 .0067 .0070 0 .0016 0 |
|
CaM4 0 .2794 .5 .90 .0125 .0133 .0137 .0121 0 .0064 0 |
|
NaM4 0 .2794 .5 .03 .0125 .0133 .0137 .0121 0 .0064 0 |
|
FeM4 0 .2794 .5 .07 .0125 .0133 .0137 .0121 0 .0064 0 |
|
SiT1 .2811 .08569 .3017 .67 .0077 .0074 .0081 .0076 -.0010 .0019 -.0004 |
|
AlT1 .2811 .08569 .3017 .33 .0077 .0074 .0081 .0076 -.0010 .0019 -.0004 |
|
SiT2 .2914 .17326 .8136 .94 .0085 .0082 .0094 .0080 0 .0024 .0008 |
|
AlT2 .2914 .17326 .8136 .06 .0085 .0082 .0094 .0080 0 .0024 .0008 |
|
O1 .1066 .0894 .2136 .0119 .0101 .0167 .0092 -.0020 .0031 -.0010 |
|
O2 .1189 .1736 .7357 .0106 .0073 .0125 .0113 .0004 .0015 .0014 |
|
O3 .10999 0 .7146 .0113 .0105 .0125 .0112 0 .0032 0 |
|
O4 .3684 .2510 .7918 .0134 .0155 .0119 .0144 -.0025 .0067 .0003 |
|
O5 .35095 .1402 .1114 .0138 .0113 .0171 .0122 .0007 .0015 .0041 |
|
O6 .3433 .1183 .6045 .0140 .0113 .0174 .0135 .0019 .0036 -.0046 |
|
O7 .3368 0 .2809 .0173 .0147 .0150 .0219 0 .0041 0 |
|
H .213 0 .782 .06 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Niobophyllite |
 |
Camara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
The Canadian Mineralogist 48 (2010) 1-16 |
|
The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich |
|
astrophyllite: Revisions to the crystal chemistry of the |
|
astrophyllite-group minerals |
|
Locality: Seal Lake, Labrador, Canada |
|
_database_code_amcsd 0006309 |
|
5.4022 11.8844 11.6717 112.990 94.588 103.166 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA .1382 .2762 .99610 .90 .0562 .0845 .0497 .0269 .0121 .0062 .0132 |
|
CsA .1382 .2762 .99610 .02 .0562 .0845 .0497 .0269 .0121 .0062 .0132 |
|
NaB .5 0 0 .0234 .033 .021 .014 .0063 .0019 .0054 |
|
MnM1 .85126 .20540 .47941 .5 .0095 .0076 .0102 .0117 .0025 .0028 .0054 |
|
FeM1 .85126 .20540 .47941 .37 .0095 .0076 .0102 .0117 .0025 .0028 .0054 |
|
MnM2 .27875 .06798 .48781 .25 .0099 .0091 .0111 .0128 .0042 .0040 .0072 |
|
FeM2 .27875 .06798 .48781 .73 .0099 .0091 .0111 .0128 .0042 .0040 .0072 |
|
Fe2+M3 .42066 .35128 .48479 .67 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
|
MnM3 .42066 .35128 .48479 .14 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
|
Fe3+M3 .42066 .35128 .48479 .13 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
|
Fe2+M4 0 .5 .5 .5 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
|
Fe3+M4 0 .5 .5 .3 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
|
MnM4 0 .5 .5 .2 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
|
NbD .07425 .08160 .18633 .73 .00805 .0036 .0078 .0153 .00257 .00271 .0068 |
|
TiD .07425 .08160 .18633 .27 .00805 .0036 .0078 .0153 .00257 .00271 .0068 |
|
SiT1 .6786 .27391 .23318 .97 .0087 .0102 .0069 .0094 .0021 .0020 .0040 |
|
AlT1 .6786 .27391 .23318 .03 .0087 .0102 .0069 .0094 .0021 .0020 .0040 |
|
SiT2 .8148 .54744 .25427 .97 .0124 .0160 .0090 .0117 .0027 .0021 .0043 |
|
AlT2 .8148 .54744 .25427 .03 .0124 .0160 .0090 .0117 .0027 .0021 .0043 |
|
SiT3 .3796 .67519 .25707 .97 .0117 .0146 .0090 .0125 .0025 .0014 .0062 |
|
AlT3 .3796 .67519 .25707 .03 .0117 .0146 .0090 .0125 .0025 .0014 .0062 |
|
SiT4 .5066 .93104 .23737 .97 .0082 .0106 .0070 .0082 .0020 .0022 .0047 |
|
AlT4 .5066 .93104 .23737 .03 .0082 .0106 .0070 .0082 .0020 .0022 .0047 |
|
O1 .7254 .3194 .3853 .0097 .0088 .0098 .0091 .0029 .0026 .0024 |
|
O2 .1462 .1597 .3687 .0130 .0130 .0148 .0108 .0046 .0029 .0046 |
|
O3 .1275 .3912 .5935 .0115 .0116 .0097 .0117 .0017 .0025 .0038 |
|
Oh4 .2995 .4639 .4027 .0136 .0140 .0158 .0126 .0071 .0049 .0057 |
|
Oh5 .9912 .1169 .5916 .0135 .0150 .017 .0095 .0076 .0045 .0046 |
|
O6 .5581 .2569 .5893 .0128 .0120 .0132 .0141 .0040 .0031 .0065 |
|
O7 .5719 .0141 .3899 .0107 .0094 .0143 .0102 .0053 .0021 .0060 |
|
O8 .0739 .5905 .2012 .0273 .023 .032 .016 -.006 .0033 .007 |
|
O9 .2475 .0423 .8249 .050 .036 .052 .017 -.033 .012 -.007 |
|
O10 .4275 .4137 .7999 .0272 .034 .031 .019 .021 .002 .006 |
|
O11 .1276 .8053 .8289 .048 .089 .073 .012 .075 .019 .016 |
|
O12 .2661 .9570 .1731 .049 .068 .057 .018 .057 -.014 -.005 |
|
O13 .2675 .6063 .8062 .0269 .056 .0058 .015 .002 .003 .0046 |
|
O14 .5742 .2219 .8023 .0287 .056 .011 .017 .003 .002 .0083 |
|
O15 .3848 .1939 .1700 .0468 .030 .068 .015 -.034 -.007 .019 |
|
OX 0 0 0 .73 .0112 .008 .013 .014 .004 .0036 .005 |
|
OHX 0 0 0 .13 .0112 .008 .013 .014 .004 .0036 .005 |
|
FX 0 0 0 .13 .0112 .008 .013 .014 .004 .0036 .005 |
|
H1 .269 .422 .3098 .01627 |
|
H2 1.021 .155 .6844 .01620 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Kupletskite-(Cs) |
 |
Camara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
The Canadian Mineralogist 48 (2010) 1-16 |
|
The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich |
|
astrophyllite: Revisions to the crystal chemistry of the |
|
astrophyllite-group minerals |
|
Locality: Dara-i-Pioz glacier, Tien-Shan mountains, northern Tajikistan |
|
_database_code_amcsd 0006310 |
|
5.3850 11.9350 11.7793 113.117 94.614 103.075 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CsA1 .15101 .29883 .99834 .71 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
KA1 .15101 .29883 .99834 .06 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
KA2 .1123 .2182 .9976 .12 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
CaA2 .1123 .2182 .9976 .04 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
PbA2 .1123 .2182 .9976 .03 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
NaA2 .1123 .2182 .9976 .03 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
SrA2 .1123 .2182 .9976 .01 .02171 .02442 .02230 .01744 .00580 .00333 .00796 |
|
NaB .5 0 0 .73 .0137 .0233 .0092 .0068 .0034 .0018 .0025 |
|
CaB .5 0 0 .27 .0137 .0233 .0092 .0068 .0034 .0018 .0025 |
|
MnM1 .84929 .20464 .47646 .84 .01001 .0113 .0089 .0103 .0035 .00273 .0041 |
|
LiM1 .84929 .20464 .47646 .16 .01001 .0113 .0089 .0103 .0035 .00273 .0041 |
|
FeM2 .27839 .06637 .48642 .58 .01114 .0112 .0101 .0130 .00345 .00345 .00530 |
|
MnM2 .27839 .06637 .48642 .38 .01114 .0112 .0101 .0130 .00345 .00345 .00530 |
|
LiM2 .27839 .06637 .48642 .04 .01114 .0112 .0101 .0130 .00345 .00345 .00530 |
|
MnM3 .42056 .35069 .48188 .65 .01106 .0122 .0113 .0131 .00527 .00477 .0071 |
|
Fe2+M3 .42056 .35069 .48188 .18 .01106 .0122 .0113 .0131 .00527 .00477 .0071 |
|
Fe3+M3 .42056 .35069 .48188 .07 .01106 .0122 .0113 .0131 .00527 .00477 .0071 |
|
LiM3 .42056 .35069 .48188 .10 .01106 .0122 .0113 .0131 .00527 .00477 .0071 |
|
ZnM4 0 .5 .5 .5 .0100 .0102 .0087 .0121 .0030 .0023 .0052 |
|
FeM4 0 .5 .5 .32 .0100 .0102 .0087 .0121 .0030 .0023 .0052 |
|
MgM4 0 .5 .5 .11 .0100 .0102 .0087 .0121 .0030 .0023 .0052 |
|
LiM4 0 .5 .5 .07 .0100 .0102 .0087 .0121 .0030 .0023 .0052 |
|
TiD .07679 .08356 .19345 .77 .00853 .0055 .0068 .0149 .00232 .00273 .00570 |
|
NbD .07679 .08356 .19345 .23 .00853 .0055 .0068 .0149 .00232 .00273 .00570 |
|
SiT1 .67902 .27225 .23299 .99 .00851 .0092 .0080 .0088 .0023 .0016 .0041 |
|
AlT1 .67902 .27225 .23299 .01 .00851 .0092 .0080 .0088 .0023 .0016 .0041 |
|
SiT2 .81517 .54765 .25821 .99 .00777 .0087 .0061 .0087 .0021 .0017 .0033 |
|
AlT2 .81517 .54765 .25821 .01 .00777 .0087 .0061 .0087 .0021 .0017 .0033 |
|
SiT3 .38069 .67665 .26053 .99 .00738 .0085 .0063 .0079 .0020 .0017 .0035 |
|
AlT3 .38069 .67665 .26053 .01 .00738 .0085 .0063 .0079 .0020 .0017 .0035 |
|
SiT4 .50596 .93100 .23615 .99 .00792 .0093 .0059 .0085 .0016 .0010 .0033 |
|
AlT4 .50596 .93100 .23615 .01 .00792 .0093 .0059 .0085 .0016 .0010 .0033 |
|
O1 .7270 .3183 .3834 .0119 .0131 .0141 .0085 .0024 .0011 .0056 |
|
O2 .1444 .1570 .3658 .0113 .0149 .0124 .0056 .0054 .0016 .0022 |
|
O3 .1271 .3910 .5910 .0107 .0111 .0099 .0109 .0030 .0016 .0041 |
|
Oh4 .2968 .4631 .3999 .0142 .0149 .0140 .0150 .0043 .0038 .0070 |
|
Oh5 .9914 .1187 .5926 .0134 .0149 .0141 .0127 .0049 .0018 .0068 |
|
O6 .5564 .2565 .5881 .0101 .0113 .0095 .0083 .0023 .0007 .0031 |
|
O7 .5734 .0133 .3873 .0112 .0124 .0109 .0090 .0035 .0004 .0031 |
|
O8 .0757 .59098 .20490 .0127 .0099 .0142 .0121 .0012 00023 .0048 |
|
O9 .2503 .0424 .8292 .0183 .0162 .0173 .0149 -.0027 .0057 .0036 |
|
O10 .4265 .41291 .79553 .0124 .0128 .0130 .0120 .0068 .0013 .0043 |
|
O11 .1269 .8071 .8309 .0180 .0253 .0234 .0152 .0190 .0088 .0105 |
|
O12 .2628 .9549 .1711 .0183 .0212 .0153 .0167 .0108 -.0019 .0030 |
|
O13 .2676 .60582 .80379 .0145 .0214 .0075 .0140 .0025 .0023 .0050 |
|
O14 .5727 .22182 .8003 .0149 .0235 .0085 .0127 .0038 .0028 .0050 |
|
O15 .3854 .1897 .1680 .0176 .0145 .0203 .0142 -.0045 -.0006 .0093 |
|
OHX 0 0 0 .29 .0192 .0236 .0192 .0138 .0062 .0030 .0060 |
|
FX 0 0 0 .71 .0192 .0236 .0192 .0138 .0062 .0030 .0060 |
|
H1 .251 .416 .3082 .01707 |
|
H2 1.026 .159 .6852 .01613 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sn-Rich Astrophyllite |
| |
Camara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
The Canadian Mineralogist 48 (2010) 1-16 |
|
The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich |
|
astrophyllite: Revisions to the crystal chemistry of the |
|
astrophyllite-group minerals |
|
Locality: Zomba-Malosa pegmatite, Monte Malosa, Zomba, Malawi |
|
_database_code_amcsd 0006311 |
|
5.3866 11.8821 11.6794 113.019 94.578 103.120 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA1 .1342 .26893 .99484 .78 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
KA2 .1130 .2204 .9959 .03 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
CaA2 .1130 .2204 .9959 .02 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
PbA2 .1130 .2204 .9959 .01 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
KA3 .154 .3074 -.001 .04 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
CsA3 .154 .3074 -.001 .01 .0515 .0971 .0268 .0225 .0065 .0030 .0097 |
|
NaB .5 0 0 .96 .0183 .0268 .0163 .0086 .0042 .0014 .0033 |
|
CaB .5 0 0 .04 .0183 .0268 .0163 .0086 .0042 .0014 .0033 |
|
FeM1 .85153 .20561 .48017 .89 .01028 .0085 .0094 .0137 .00237 .00274 .00565 |
|
MnM1 .85153 .20561 .48017 .08 .01028 .0085 .0094 .0137 .00237 .00274 .00565 |
|
CaM1 .85153 .20561 .48017 .03 .01028 .0085 .0094 .0137 .00237 .00274 .00565 |
|
FeM2 .27930 .06826 .48837 .89 .01055 .0086 .0100 .0145 .00287 .00336 .00627 |
|
MnM2 .27930 .06826 .48837 .10 .01055 .0086 .0100 .0145 .00287 .00336 .00627 |
|
CaM2 .27930 .06826 .48837 .01 .01055 .0086 .0100 .0145 .00287 .00336 .00627 |
|
Fe2+M3 .42088 .35112 .48492 .88 .01056 .0088 .0102 .0149 .00338 .00371 .00684 |
|
Fe3+M3 .42088 .35112 .48492 .08 .01056 .0088 .0102 .0149 .00338 .00371 .00684 |
|
MnM3 .42088 .35112 .48492 .04 .01056 .0088 .0102 .0149 .00338 .00371 .00684 |
|
Fe2+M4 0 .5 .5 .88 .0097 .0078 .0085 .0131 .0020 .0018 .0050 |
|
Fe3+M4 0 .5 .5 .10 .0097 .0078 .0085 .0131 .0020 .0018 .0050 |
|
ZnM4 0 .5 .5 .02 .0097 .0078 .0085 .0131 .0020 .0018 .0050 |
|
TiD .07685 .08531 .19385 .37 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
SnD .07685 .08531 .19385 .31 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
NbD .07685 .08531 .19385 .22 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
ZrD .07685 .08531 .19385 .08 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
TaD .07685 .08531 .19385 .01 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
MgD .07685 .08531 .19385 .01 .01122 .00726 .01041 .01796 .00281 .00314 .00766 |
|
SiT1 .67803 .27365 .23323 .98 .01092 .012 .0090 .0111 .0021 .0017 .0047 |
|
AlT1 .67803 .27365 .23323 .02 .01092 .012 .0090 .0111 .0021 .0017 .0047 |
|
SiT2 .81369 .54764 .25524 .98 .01047 .0106 .0092 .0115 .0021 .0015 .0047 |
|
AlT2 .81369 .54764 .25524 .02 .01047 .0106 .0092 .0115 .0021 .0015 .0047 |
|
SiT3 .37723 .67597 .25782 .98 .00990 .0099 .0090 .0117 .0023 .0019 .0055 |
|
AlT3 .37723 .67597 .25782 .02 .00990 .0099 .0090 .0117 .0023 .0019 .0055 |
|
SiT4 .50748 .93258 .23834 .98 .01083 .0123 .0092 .0110 .0023 .0019 .0046 |
|
AlT4 .50748 .93258 .23834 .02 .01083 .0123 .0092 .0110 .0023 .0019 .0046 |
|
O1 .7271 .3182 .3858 .0112 .0110 .0118 .0010 .0024 .0016 .0042 |
|
O2 .1468 .1637 .3771 .0130 .0111 .0117 .0167 .0032 .0029 .0065 |
|
O3 .1259 .3906 .5921 .0110 .0112 .0106 .0109 .0025 .0020 .0045 |
|
Oh4 .3015 .4635 .4020 .0132 .0131 .0127 .0142 .0035 .0031 .0060 |
|
Oh5 .9886 .1157 .5912 .0138 .0134 .0131 .0144 .0032 .0023 .0056 |
|
O6 .5628 .2564 .5881 .0112 .0120 .0109 .0100 .0025 .0017 .0040 |
|
O7 .5750 .0163 .3909 .0110 .0119 .0117 .0092 .0036 .0024 .0039 |
|
O8 .0736 .5911 .2018 .0219 .0138 .0294 .0170 -.0008 .0038 .0078 |
|
O9 .2483 .0423 .8256 .0583 .0441 .059 .0201 -.0373 .0183 -.0098 |
|
O10 .4270 .4118 .7969 .0223 .0218 .0294 .0181 .0154 .0023 .0083 |
|
O11 .1286 .8049 .8306 .0570 .105 .086 .0202 .087 .0283 .0267 |
|
O12 .2670 .9573 .1737 .0571 .085 .057 .0209 .060 -.0205 -.0085 |
|
O13 .2697 .6056 .8041 .0311 .064 .0093 .0145 .0021 .0022 .0053 |
|
O14 .5745 .2195 .7998 .0327 .068 .0099 .0156 .0024 .0026 .0067 |
|
O15 .3857 .1941 .1692 .0564 .0347 .084 .0188 -.0413 -.0114 .0248 |
|
OHX 0 0 0 .35 .0195 .0199 .0210 .0164 .0053 .0030 .0071 |
|
FX 0 0 0 .65 .0195 .0199 .0210 .0164 .0053 .0030 .0071 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Paraershovite |
| |
Khomyakov A P, Camara F, Sokolova E, Abdu Y, Hawthorne F C |
| |
The Canadian Mineralogist 48 (2010) 279-290 |
|
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the |
|
Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure |
|
Locality: the Khibina Alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006330 |
|
10.1978 12.0155 5.2263 103.439 96.020 91.683 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K(1) .56870 .13502 .8203 .96 .0285 .0437 .0226 .0181 -.0025 .0014 .0041 |
|
K(2) .5 .5 .5 .0339 .0355 .0427 .0279 .0247 .0082 .0125 |
|
Na(1) .9757 .8611 .4609 .81 .0318 .024 .023 .045 -.0001 -.0027 .0043 |
|
Na(2) .9901 .7410 .8855 .41 .031 .027 .035 .034 .009 .016 .011 |
|
Fe2+M .00552 .42473 .70056 .87 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
Mn2+M .00552 .42473 .70056 .68 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
TiM .00552 .42473 .70056 .38 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
MgM .00552 .42473 .70056 .07 .0118 .0085 .0140 .0119 .0019 .0001 .0012 |
|
Si(1) .73752 .28343 .4291 .0122 .0103 .0144 .0118 .0014 .0021 .0024 |
|
Si(2) .71648 .67365 .1360 .0133 .0099 .0152 .0148 .0032 .0017 .0033 |
|
Si(3) .73373 .41941 .9938 .0116 .0088 .0137 .0117 .0014 .0017 .0016 |
|
Si(4) .67806 .81252 .7010 .0172 .0191 .0167 .0157 .0035 .0034 .0027 |
|
O(1) .6735 .3522 .6954 .0159 .009 .023 .015 .0022 .0024 .004 |
|
O(2) .8952 .2965 .4822 .0166 .011 .021 .016 .0020 .0014 .0016 |
|
O(3) .6525 .7284 .8982 .0241 .018 .034 .023 .005 .001 .013 |
|
O(4) .8735 .6832 .1747 .0176 .010 .021 .022 .0018 .0008 .006 |
|
O(5) .8919 .4392 .0176 .0134 .009 .021 .010 -.0005 .0011 .0021 |
|
O(6) .8233 .8724 .7639 .0334 .019 .037 .039 -.003 .003 -.001 |
|
O(7) .6602 .5397 .0558 .0193 .011 .017 .029 .0033 .0024 .003 |
|
O(8) .6503 .7323 .4004 .0228 .018 .029 .018 .004 .004 -.001 |
|
O(9) .6832 .3468 .1941 .0179 .012 .027 .014 .0015 .0006 .006 |
|
O(10) .6773 .1541 .3523 .0202 .017 .019 .023 -.001 .003 .002 |
|
O(11) .5653 .9052 .7303 .0238 .020 .019 .031 .003 .002 .002 |
|
O(12) .8933 .5458 .5733 .0171 .015 .019 .017 .0053 .0033 .002 |
|
O(13) .8581 .9925 .2831 .066 .057 .040 .083 .020 -.026 -.012 |
|
O(14A) .889 .156 .904 .5 .051 .040 .058 .059 .005 .012 .018 |
|
O(14B) .856 .113 .822 .5 .051 .040 .058 .059 .005 .012 .018 |
|
H(1) .481 .875 .692 .03566 |
|
H(2) .882 .603 .714 .02569 |
|
H(3) .847 .953 .111 .09960 |
|
H(4) .789 .038 .31 .09960 |
|
H(5) .969 .179 .01 .5 .07653 |
|
H(6) .86 .079 .91 .5 .07653 |
|
H(7) .786 .13 .664 .5 .07653 |
|
H(8) .799 .13 .98 .5 .07653 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Jinshajiangite |
 |
Sokolova E, Camara F, Hawthorne F C, Abdu Y |
| |
European Journal of Mineralogy 21 (2009) 871-883 |
|
From structure topology to chemical composition. VII. Titanium silicates: |
|
the crystal structure and crystal chemistry of jinshajiangite |
|
Locality: Norra Karr, Tonkoping province, Sweden |
|
_database_code_amcsd 0007327 |
|
10.6785 13.786 20.700 90 94.937 90 C2/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) |
|
FeMO(1) .12348 0 .74395 .0076 .0046 .0090 .0094 0 .0012 0 |
|
FeMO(2) .37436 0 .25460 .90 .0079 .0054 .0083 .0101 0 .0006 0 |
|
MgMO(2) .37436 0 .25460 .10 .0079 .0054 .0083 .0101 0 .0006 0 |
|
FeMO(3) .37433 .12400 .75126 .95 .0091 .0057 .0082 .0135 .0011 .0016 -.0001 |
|
MgMO(3) .37433 .12400 .75126 .05 .0091 .0057 .0082 .0135 .0011 .0016 -.0001 |
|
FeMO(4) .37424 .24820 .24466 .77 .0087 .0049 .0083 .01291 .0000 .0012 .0001 |
|
MnMO(4) .37424 .24820 .24466 .23 .0087 .0049 .0083 .01291 .0000 .0012 .0001 |
|
FeMO(5) .12389 .12619 .25122 .49 .0115 .0064 .0120 .0169 -.0031 .0049 -.0040 |
|
MnMO(5) .12389 .12619 .25122 .40 .0115 .0064 .0120 .0169 -.0031 .0049 -.0040 |
|
ZrMO(5) .12389 .12619 .25122 .04 .0115 .0064 .0120 .0169 -.0031 .0049 -.0040 |
|
NaMO(5) .12389 .12619 .25122 .07 .0115 .0064 .0120 .0169 -.0031 .0049 -.0040 |
|
TiMH(1) .26682 0 .60285 .0474 .0011 .130 .0105 0 -.0009 0 |
|
TiMH(2) .23339 0 .39818 .0449 .0009 .122 .0111 0 -.0014 0 |
|
TiMH(3) .48335 .23021 .89798 .0022 .0017 .0017 .0033 -.0003 .0005 .0004 |
|
Si(1) .01953 .14135 .61950 .0136 .0236 .0087 .0085 -.0008 .0014 .0004 |
|
Si(2) .25761 .10891 .11917 .0050 .0017 .0049 .0081 .0006 -.0003 .0000 |
|
Si(3) .21756 .10937 .88055 .0048 .0016 .0043 .0084 -.0002 .0004 .0000 |
|
Si(4) .47947 .13996 .37992 .0133 .0226 .0086 .0085 -.0007 .0009 -.0006 |
|
BaAP(1) .5 0 0 .0055 .0048 .0066 .0052 0 .0003 0 |
|
BaAP(2) .25 .25 .5 .52 .0203 .0123 .0331 .0154 -.0006 .0000 -.0004 |
|
KAP(2) .25 .25 .5 .36 .0203 .0123 .0331 .0154 -.0006 .0000 -.0004 |
|
KAP(3) 0 .0382 0 .36 .0285 .0217 .0389 .0252 0 .0035 0 |
|
BaAP(3) 0 .0382 0 .14 .0285 .0217 .0389 .0252 0 .0035 0 |
|
NaBP(1) .5 0 .5 .60 .0271 .031 .032 .018 0 .0013 0 |
|
CaBP(1) .5 0 .5 .40 .0271 .031 .032 .018 0 .0013 0 |
|
NaBP(2) 0 0 .5 .60 .0245 .029 .028 .017 0 .0014 0 |
|
CaBP(2) 0 0 .5 .40 .0245 .029 .028 .017 0 .0014 0 |
|
NaBP(3) .25 .25 0 .60 .0192 .0234 .0217 .0123 -.0103 -.0004 .0001 |
|
CaBP(3) .25 .25 0 .40 .0192 .0234 .0217 .0123 -.0103 -.0004 .0001 |
|
O(1) .2081 0 .0991 .0083 .008 .004 .013 0 .001 0 |
|
O(2) .3590 .1254 .9123 .0070 .004 .0050 .011 -.0023 -.0036 .0024 |
|
O(3) .1489 .1787 .0869 .0080 .007 .005 .012 .0008 -.0002 .0012 |
|
O(4) .1738 0 .8990 .0060 |
|
O(5) .3879 .1252 .0872 .0081 |
|
O(6) .1201 .1783 .9138 .0069 .0049 .0024 .013 .0005 -.0006 -.0012 |
|
O(7) .2749 .1193 .1973 .0111 .002 .018 .014 -.0038 -.0007 -.0001 |
|
O(8) .2128 .1207 .8025 .0147 .009 .021 .014 .0012 .0020 -.001 |
|
O(9) .0355 .1304 .6984 .0085 .014 .006 .005 -.0003 -.0009 .0003 |
|
O(10) .4615 .1279 .3012 .0075 .013 .004 .0047 .0001 -.0006 -.0009 |
|
O(11) .1056 .0961 .4141 .078 .006 .212 .016 .028 .003 -.001 |
|
O(12A) .4254 .2497 .4004 .5 .0099 .011 .005 .012 -.000 -.007 .000 |
|
O(12B) .4552 .2488 .6002 .5 .0099 .011 .005 .012 -.000 -.007 .000 |
|
O(13) .1353 .0979 .5866 .084 .009 .230 .013 .031 .007 .002 |
|
O(14) .3652 .0973 .4144 .080 .010 .215 .015 -.030 .007 -.006 |
|
O(15) .3942 .0953 .5876 .087 .008 .238 .017 -.034 .002 .002 |
|
O(16) .4744 .2382 .8126 .0090 .005 .012 .010 .0057 .0009 .0047 |
|
O(17) .2174 0 .3112 .0188 .008 .038 .010 0 .001 0 |
|
O(18) .2811 0 .6903 .0186 .008 .040 .008 0 .002 0 |
|
OHXOA1 .2910 .2484 .7067 .0075 .007 .013 .0023 .0013 -.0024 -.0001 |
|
OHXOA2 .4648 0 .7943 .0189 .008 .019 .030 0 .003 0 |
|
OHXOA3 .0350 0 .2082 .0154 .006 .013 .027 0 .003 0 |
|
OHXPM .2496 0 .5004 .64 .052 .001 .151 .004 0 .001 0 |
|
FXPM .2496 0 .5004 .36 .052 .001 .151 .004 0 .001 0 |
|
F .5 .2257 0 .0079 .010 .010 .003 0 -.0003 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Lomonosovite |
 |
Camara F, Sokolova E, Hawthorne F C, Abdu Y |
| |
Mineralogical Magazine 72 (2008) 1207-1228 |
|
From structure topology to chemical composition. IX. Titanium silicates: revision of |
|
the crystal chemistry of lomonosovite and murmanite, Group-IV minerals |
|
Locality: Lovozero alkaline massif, Russia |
|
_database_code_amcsd 0018518 |
|
5.4170 7.1190 14.487 99.957 96.711 90.360 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na(1) .17183 .41851 .23393 .975 .01759 .0170 .0217 .0139 -.0037 .0006 .0035 |
|
Na(2) .75658 .88235 -.00370 .975 .0231 .0126 .0159 .0356 .0029 -.0052 -.0045 |
|
Na(3) .67740 .97076 .36205 .945 .01881 .0222 .0142 .0181 -.00028 -.00070 -.00057 |
|
Ca(3) .67740 .97076 .36205 .055 .01881 .0222 .0142 .0181 -.00028 -.00070 -.00057 |
|
Na(4) .67504 .45798 .39770 .855 .02085 .0267 .0161 .0186 .0033 .0008 .0011 |
|
Mn2+(4) .67504 .45798 .39770 .080 .02085 .0267 .0161 .0186 .0033 .0008 .0011 |
|
Na(5) .23789 .74012 .41534 .0218 .0312 .0155 .0203 .0024 .0055 .0058 |
|
Ti(1) .16618 .92849 .21810 .760 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Mn2+(1) .16618 .92849 .21810 .025 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Nb(1) .16618 .92849 .21810 .155 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Fe3+(1) .16618 .92849 .21810 .030 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Ta(1) .16618 .92849 .21810 .005 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Fe2+(1) .16618 .92849 .21810 .025 .00803 .00720 .00757 .00951 .00042 .00135 .00179 |
|
Ti(2) .77151 .38667 -.00770 .655 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Mn2+(2) .77151 .38667 -.00770 .110 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Nb(2) .77151 .38667 -.00770 .100 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Zr(2) .77151 .38667 -.00770 .055 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Mg(2) .77151 .38667 -.00770 .055 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Fe2+(2) .77151 .38667 -.00770 .025 .01302 .01771 .01111 .00982 .00247 .00013 .00161 |
|
Si(1) .66652 .20422 .17702 .00734 .00813 .00652 .00755 .00007 .00122 .00152 |
|
Si(2) .64975 .64040 .19841 .00697 .00819 .00614 .00644 .00011 .00051 .00092 |
|
P .17814 .22491 .43221 .00901 .01012 .00799 .00866 .00022 .00141 .00056 |
|
O(1) .67330 .42899 .23057 .0132 .0233 .0064 .0098 .0017 .0019 .0015 |
|
O(2) .63916 .19579 .06524 .0129 .0156 .0144 .0081 .0009 .0007 .0013 |
|
O(3) .9287 .12230 .21347 .0194 .0174 .0180 .0215 .0091 -.0036 .0035 |
|
O(4) .4366 .10347 .21026 .0219 .0213 .0208 .0240 -.0112 .0098 .0009 |
|
O(5) .59482 .60837 .08374 .0127 .0182 .0128 .0067 -.0006 .0004 .0015 |
|
O(6) .90590 .75276 .24541 .0143 .0121 .0178 .0126 -.0066 .0011 .0024 |
|
O(7) .41669 .73437 .24916 .0117 .0105 .0132 .0111 .0047 .0010 .0011 |
|
O(8) .12981 .83454 .09180 .0146 .0144 .0195 .0089 -.0025 .0011 .0001 |
|
O(9) .0880 .42270 .07013 .0140 .0203 .0113 .0108 .0004 .0024 .0024 |
|
O(10) .23599 .03479 .36655 .0128 .0175 .0092 .0112 .0026 .0024 -.0003 |
|
O(11) .90049 .22363 .44212 .0187 .0119 .0196 .0247 .0009 .0065 .0011 |
|
O(12) .2497 .39967 .39089 .0181 .0272 .0104 .0176 -.0026 .0047 .0036 |
|
O(13) .3294 .23068 .52885 .0202 .0273 .0173 .0133 .0014 -.0059 .0008 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Murmanite |
 |
Camara F, Sokolova E, Hawthorne F C, Abdu Y |
| |
Mineralogical Magazine 72 (2008) 1207-1228 |
|
From structure topology to chemical composition. IX. Titanium silicates: revision of |
|
the crystal chemistry of lomonosovite and murmanite, Group-IV minerals |
|
Locality: Yubileynaya pegmatite vein, Karnasut Mountain, Lovozero alkaline massif |
|
_database_code_amcsd 0018519 |
|
5.3875 7.0579 12.176 93.511 107.943 90.093 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na(1) .3843 .8278 .19944 .890 .0255 .0231 .0226 .0316 .0011 .0095 .0010 |
|
Ca(1) .3843 .8278 .19944 .075 .0255 .0231 .0226 .0316 .0011 .0095 .0010 |
|
K(1) .3843 .8278 .19944 .025 .0255 .0231 .0226 .0316 .0011 .0095 .0010 |
|
Na(2) .7374 .6117 .49032 .755 .0277 .0245 .0211 .0453 .0080 .0205 .0108 |
|
Mn(2) .7374 .6117 .49032 .070 .0277 .0245 .0211 .0453 .0080 .0205 .0108 |
|
Ca(2) .7374 .6117 .49032 .030 .0277 .0245 .0211 .0453 .0080 .0205 .0108 |
|
Ti(1) .41614 .32516 .2405 .835 .0136 .0095 .0140 .0182 .0007 .0052 .0027 |
|
Nb(1) .41614 .32516 .2405 .110 .0136 .0095 .0140 .0182 .0007 .0052 .0027 |
|
Fe3+(1) .41614 .32516 .2405 .055 .0136 .0095 .0140 .0182 .0007 .0052 .0027 |
|
Ti(2) .27783 .88695 .50472 .700 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Nb(2) .27783 .88695 .50472 .145 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Mn(2) .27783 .88695 .50472 .095 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Mg(2) .27783 .88695 .50472 .035 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Fe3+(2) .27783 .88695 .50472 .020 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Zr(2) .27783 .88695 .50472 .005 .0197 .0189 .0157 .0252 .00195 .0073 .0030 |
|
Si(1) .92177 .05009 .25961 .0138 .0115 .0108 .0199 .0000 .0055 .0025 |
|
Si(2) .94748 .62237 .27519 .0152 .0135 .0106 .0222 .0008 .0062 .0028 |
|
O(1) .1367 .1365 .2105 .0382 .0421 .050 .0249 -.0315 .0150 -.0031 |
|
O(2) .6368 .1309 .2023 .0377 .0301 .049 .0267 .0274 -.0012 -.0043 |
|
O(3) .0014 .9327 .5987 .0171 .0144 .0172 .0214 .0010 .0075 .0025 |
|
O(4) .8993 .8248 .2163 .0264 .0397 .0119 .0260 .0015 .0077 .0008 |
|
O(5) .6701 .5178 .2395 .0411 .0386 .048 .0367 -.0331 .0132 -.0006 |
|
O(6) .0615 .6659 .4145 .0212 .0208 .0181 .0242 .0023 .0061 .0027 |
|
O(7) .1633 .5200 .2294 .0395 .0354 .044 .0365 .0278 .0078 -.0035 |
|
O(8) .5306 .3005 .3940 .0204 .0163 .0225 .0228 -.0003 .0060 .0041 |
|
O(9) .5033 .8939 .4131 .0178 .0152 .0161 .0226 .0007 .0061 .0023 |
|
Ow(10) .2815 .3373 .0436 .0375 .049 .0324 .0302 .0069 .0096 .0058 |
|
Ow(11) .2528 .7255 .0060 .0359 .0365 .0380 .0343 .0012 .0115 .0087 |
|
H(1) .305 .277 -.020 .04504 |
|
H(2) .152 .423 .026 .04504 |
|
H(3) .244 .5988 -.013 .04305 |
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H(4) .290 .79 -.047 .04305 |
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Ti(1A) .389 .3251 .2036 .02 .0136 .009 .0140 .0182 .0007 .0052 .0027 |
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Ti(1B) .455 .325 .294 .05 .0136 .009 .0140 .0182 .0007 .0052 .0027 |
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Sveinbergeite |
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Khomyakov A P, Cámara F, Sokolova E, Abdu Y, Hawthorne F C |
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Mineralogical Magazine 75 (2011) 2687-2702 |
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Sveinbergeite, Ca(Fe2+6Fe3+)Ti2(Si4O12)2O2(OH)5(H2O)4, a new astrophyllite-group mineral |
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from the Larvik Plutonic Complex, Oslo Region, Norway: description and crystal structure |
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Locality: Larvik Plutonic Complex, Oslo Region, Norway |
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_database_code_amcsd 0018570 |
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5.329 11.803 11.822 101.140 98.224 102.442 P-1 |
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atom x y z occ Uiso |
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Fe2+M1 .8452 .7086 .9777 .80 .0079 |
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Fe3+M1 .8452 .7086 .9777 .13 .0079 |
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MnM1 .8452 .7086 .9777 .05 .0079 |
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MgM1 .8452 .7086 .9777 .02 .0079 |
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Fe2+M2 .2825 .5692 .9894 .80 .0097 |
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Fe3+M2 .2825 .5692 .9894 .13 .0097 |
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MnM2 .2825 .5692 .9894 .05 .0097 |
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MgM2 .2825 .5692 .9894 .02 .0097 |
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Fe2+M3 .5788 .1474 .0179 .80 .0047 |
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Fe3+M3 .5788 .1474 .0179 .13 .0047 |
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MnM3 .5788 .1474 .0179 .05 .0047 |
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MgM3 .5788 .1474 .0179 .02 .0047 |
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Fe2+M4 0 0 0 .80 .0059 |
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Fe3+M4 0 0 0 .13 .0059 |
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MnM4 0 0 0 .05 .0059 |
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MgM4 0 0 0 .02 .0059 |
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TiD .4002 .6517 .7186 .93 .0102 |
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NbD .4002 .6517 .7186 .03 .0102 |
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ZrD .4002 .6517 .7186 .02 .0102 |
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Fe3+D .4002 .6517 .7186 .02 .0102 |
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SiT1 .1514 .1039 .7805 .99 .017 |
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AlT1 .1514 .1039 .7805 .01 .017 |
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SiT2 .7096 .2282 .7805 .99 .017 |
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AlT2 .7096 .2282 .7805 .01 .017 |
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SiT3 .8419 .4900 .7578 .99 .009 |
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AlT3 .8419 .4900 .7578 .01 .009 |
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SiT4 .989 .8295 .7533 .99 .019 |
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AlT4 .989 .8295 .7533 .01 .019 |
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WatA .444 .854 .521 .93 .088 |
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KA .444 .854 .521 .07 .088 |
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CaB1 .188 .391 .485 .48 .050 |
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NaB1 .188 .391 .485 .06 .050 |
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WatB2 .201 .339 .537 .47 .050 |
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O1 .054 .9602 .7182 .019 |
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O2 .729 .3456 .7250 .027 |
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O3 .678 .777 .703 .034 |
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O4 .100 .521 .704 .068 |
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O5 .905 .538 .900 .018 |
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O6 .627 .550 .694 .045 |
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O7 .092 .847 .2746 .022 |
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O8 .771 .264 .9250 .015 |
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O9 .211 .133 .9199 .013 |
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O10 .948 .1604 .1103 .005 |
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O11 .154 .751 .689 .032 |
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O12 .592 .849 .2742 .022 |
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O13 .465 .691 .879 .027 |
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OH14 .337 .399 .9150 .009 |
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OH15 .376 .012 .0901 .011 |
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WatX .315 .611 .540 .47 .034 |
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OHX .315 .611 .540 .45 .034 |
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FX .315 .611 .540 .08 .034 |
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Davidlloydite |
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Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T |
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Mineralogical Magazine 76 (2012) 45-57 |
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Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral |
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from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: |
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description and crystal structure |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0018665 |
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5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 P-1 |
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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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Zn1 0 .5 .5 .6 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
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Cu1 0 .5 .5 .4 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
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Zn2 .23922 .10407 .81081 .01226 .01204 .01445 .01032 .00121 -.00006 -.00186 |
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As .25896 .87032 .33696 .00916 .00945 .00940 .00869 .00002 .00025 -.00125 |
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O1 .4813 .7644 .2259 .0153 .0119 .0140 .0204 .0007 .0037 -.0045 |
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O2 .2996 .8972 .6354 .0146 .0200 .0144 .0096 .0007 -.0011 -.0027 |
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O3 .0271 .7464 .3144 .0128 .0103 .0120 .0157 -.0014 -.0012 .0002 |
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O4 .1952 .0630 .1674 .0145 .0209 .0116 .0105 .0015 -.0006 .0010 |
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O5 .2229 .4010 .2726 .0181 .0253 .0134 .0155 .0009 .0037 -.0007 |
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O6 .2711 .5420 .7834 .0208 .0190 .0162 .0270 -.0009 .0031 -.0008 |
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H1 .211 .2762 .245 .039 |
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H2 .232 .453 .101 .056 |
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H3 .413 .481 .748 .058 |
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H4 .325 .662 .791 .059 |
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