|
Vermiculite |
 |
Hendricks S B, Jefferson M E |
 |
American Mineralogist 23 (1938) 851-862 |
|
Crystal structure of vermiculites and mixed vermiculite-chlorites |
|
_database_code_amcsd 0000019 |
|
5.33 9.18 28.85 90 93.25 90 Cc |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 0 1/3 0 |
|
Mg3 0 2/3 0 |
|
OH1 .180 .5 .040 |
|
OH2 -.180 5/6 -.040 |
|
O1 .180 5/6 .040 |
|
O2 -.180 .5 -.040 |
|
O3 .180 1/6 .040 |
|
O4 -.180 1/6 -.040 |
|
O5 -.048 .75 .115 |
|
O6 .048 .5833 -.115 |
|
O7 .452 .75 .115 |
|
O8 -.452 .5833 -.115 |
|
O9 .202 0 .115 |
|
O10 -.202 1/3 -.115 |
|
Si1 .196 5/6 .095 |
|
Si2 -.196 .5 -.095 |
|
Si3 -.304 2/3 .095 |
|
Si4 .304 2/3 -.095 |
|
|
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|
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: Biotite group |
|
_database_code_amcsd 0000024 |
|
5.32 9.21 10.16 90 100.03 90 Cm |
|
atom x y z occ |
|
K .45 .50 .84 |
|
Mg1 .44 .33 .34 |
|
Mg2 .44 .00 .34 |
|
Si1 .02 .33 .06 .75 |
|
Si2 .37 .17 .62 .75 |
|
Al1 .02 .33 .06 .25 |
|
Al2 .37 .17 .62 .25 |
|
O1 .25 .25 .00 |
|
O2 .08 .33 .22 |
|
O3 .32 .17 .46 |
|
O4 .14 .25 .68 |
|
O5 .00 .50 .00 |
|
O6 .39 .00 .68 |
|
OH1 .08 .00 .22 .50 |
|
OH2 .32 .50 .46 .50 |
|
F1 .08 .00 .22 .50 |
|
F2 .32 .50 .46 .50 |
|
|
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|
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: data is reproduced from Jackson and West (1930) |
|
Note: Biotite group |
|
_database_code_amcsd 0000025 |
|
5.32 9.21 20.08 90 95 90 C2/c |
|
atom x y z occ |
|
K 0 .083 .25 |
|
Mg1 .25 .083 0 |
|
Mg2 .75 .25 0 |
|
Si1 -.033 -.250 .135 .75 |
|
Si2 -.033 .417 .135 .75 |
|
Al1 -.033 -.250 .135 .25 |
|
Al2 -.033 .417 .135 .25 |
|
O1 .228 .333 .164 |
|
O2 .228 -.167 .164 |
|
O3 .480 .083 .164 |
|
O4 -.062 -.167 .055 |
|
O5 -.062 .417 .055 |
|
OH -.062 .083 .058 .50 |
|
F -.062 .083 .058 .50 |
|
|
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|
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: Biotite group |
|
_database_code_amcsd 0000026 |
|
5.3 5.3 30.0 90 90 120 P3_112 |
|
atom x y z occ |
|
K 1/9 .0556 0 |
|
Mg1 1/9 2/9 1/6 |
|
Mg3 -2/9 -4/9 1/6 |
|
Mg3 4/9 8/9 1/6 |
|
Si1 -.22 .22 .078 .75 |
|
Si2 .44 -.44 .078 .75 |
|
Al1 -.22 .22 .078 .25 |
|
Al2 .44 -.44 .078 .25 |
|
O1 .11 .39 .06 |
|
O2 -.39 -.11 .06 |
|
O3 -.39 .39 .06 |
|
O4 -.22 .22 .13 |
|
O5 .44 -.44 .13 |
|
OH .11 -.11 .13 .50 |
|
F .11 -.11 .13 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Lepidolite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
_database_code_amcsd 0000027 |
|
9.2 5.3 60.0 90 90. 90 Cc |
|
atom x y z occ |
|
K1 0 .3333 .0825 |
|
K2 .3333 .6667 .2492 |
|
K3 .1667 .8333 .4158 |
|
Mg1 0 0 0 |
|
Mg2 0 0 .1667 |
|
Mg3 0 0 .3333 |
|
Mg4 .1667 .5 0 |
|
Mg5 .1667 .5 .1667 |
|
Mg6 .1667 .5 .3333 |
|
Mg7 .3333 0 0 |
|
Mg8 .3333 0 .1667 |
|
Mg9 .3333 0 .3333 |
|
Si1 .3333 .3333 .0440 .75 |
|
Si2 0 .6667 .2107 .75 |
|
Si3 0 .3333 .3773 .75 |
|
Si4 .1667 .8333 .0440 .75 |
|
Si5 .1667 .1667 .2107 .75 |
|
Si6 .3333 .3333 .3773 .75 |
|
Si7 0 .6667 -.044 .75 |
|
Si8 .1667 .8333 .1227 .75 |
|
Si9 0 .6667 .2893 .75 |
|
Si10 .3333 .6667 -.044 .75 |
|
Si11 .3333 .3333 .1227 .75 |
|
Si12 .1667 .1667 .2893 .75 |
|
Al1 .3333 .3333 .0440 .25 |
|
Al2 0 .6667 .2107 .25 |
|
Al3 0 .3333 .3773 .25 |
|
Al4 .1667 .8333 .0440 .25 |
|
Al5 .1667 .1667 .2107 .25 |
|
Al6 .3333 .3333 .3773 .25 |
|
Al7 0 .6667 -.044 .25 |
|
Al8 .1667 .8333 .1227 .25 |
|
Al9 0 .6667 .2893 .25 |
|
Al10 .3333 .6667 -.044 .25 |
|
Al11 .3333 .3333 .1227 .25 |
|
Al12 .1667 .1667 .2893 .25 |
|
O1 .25 .0833 .0530 |
|
O2 .0833 .4167 .2197 |
|
O3 .1667 .3333 .3863 |
|
O4 .25 .5833 .0530 |
|
O5 .3333 .1667 .2197 |
|
O6 .4167 .0833 .3863 |
|
O7 .5 .3333 .0530 |
|
O8 .0833 .5833 .2197 |
|
O9 .4167 .5833 .3863 |
|
O10 .3333 .3333 .0170 |
|
O11 0 .6667 .1837 |
|
O12 0 .3333 .3503 |
|
O13 .1667 .8333 .0170 |
|
O14 .1667 .1667 .1837 |
|
O15 .3333 .3333 .3503 |
|
O16 0 .6667 -.017 |
|
O17 .1667 .8333 .1497 |
|
O18 0 .6667 .3163 |
|
O19 .3333 .6667 -.017 |
|
O20 .3333 .3333 .1497 |
|
O21 .1667 .1667 .3163 |
|
O22 .1667 .6667 -.053 |
|
O23 0 .8333 .1137 |
|
O24 .0833 .4167 .2803 |
|
O25 .4167 .4167 -.053 |
|
O26 .25 .0833 .1137 |
|
O27 .0833 .5833 .2803 |
|
O28 .4167 .5833 -.053 |
|
O29 .25 .5833 .1137 |
|
O30 .3333 .1667 .2803 |
|
OH1 0 .3333 .0170 .50 |
|
OH2 .3333 .6667 .1837 .50 |
|
OH3 .1667 .8333 .3503 .50 |
|
OH4 .1667 .1667 -.017 .50 |
|
OH5 0 .3333 .1497 .50 |
|
OH6 .3333 .6667 .3163 .50 |
|
F1 0 .3333 .0170 .50 |
|
F2 .3333 .6667 .1837 .50 |
|
F3 .1667 .8333 .3503 .50 |
|
F4 .1667 .1667 -.017 .50 |
|
F5 0 .3333 .1497 .50 |
|
F6 .3333 .6667 .3163 .50 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Biotite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
_database_code_amcsd 0000028 |
|
5.3 5.3 60.0 90 90 120 P-1 |
|
atom x y z occ |
|
K1 0 .1667 .0825 |
|
K2 .3333 .1667 .2492 |
|
K3 .3333 .5 .4158 |
|
Mg1 .3333 .1667 0 |
|
Mg2 0 .5 0 |
|
Mg3 .3333 .1667 .5 |
|
Mg4 0 .5 .5 |
|
Mg5 0 .8333 .1667 |
|
Mg6 .6667 .1667 .1667 |
|
Mg7 .3333 .5 .1837 |
|
Mg8 0 .1667 .5 |
|
Mg9 .3333 .8333 .3333 |
|
Mg10 .6667 .5 .3503 |
|
Si1 .3333 .8333 .0440 .75 |
|
Si2 .6667 .5 .0440 .75 |
|
Si3 0 .1667 .5440 .75 |
|
Si4 .3333 .8333 .5440 .75 |
|
Si5 .6667 .8333 .2107 .75 |
|
Si6 0 .5 .2107 .75 |
|
Si7 .6667 .5 .1227 .75 |
|
Si8 .3333 .8333 .1227 .75 |
|
Si9 0 .8333 .3773 .75 |
|
Si10 .6667 .1667 .3773 .75 |
|
Si11 0 .5 .2893 .75 |
|
Si12 .6667 .8333 .2893 .75 |
|
Al1 .3333 .8333 .0440 .25 |
|
Al2 .6667 .5 .0440 .25 |
|
Al3 0 .1667 .5440 .25 |
|
Al4 .3333 .8333 .5440 .25 |
|
Al5 .6667 .8333 .2107 .25 |
|
Al6 0 .5 .2107 .25 |
|
Al7 .6667 .5 .1227 .25 |
|
Al8 .3333 .8333 .1227 .25 |
|
Al9 0 .8333 .3773 .25 |
|
Al10 .6667 .1667 .3773 .25 |
|
Al11 0 .5 .2893 .25 |
|
Al12 .6667 .8333 .2893 .25 |
|
O1 .3333 .8333 .0170 |
|
O2 .6667 .5 .0170 |
|
O3 0 .6667 .0530 |
|
O4 .5 .6667 .0530 |
|
O5 .5 .1667 .0530 |
|
O6 0 .1667 .5170 |
|
O7 .3333 .8333 .5170 |
|
O8 .1667 0 .5530 |
|
O9 .6667 0 .5530 |
|
O10 .1667 .5 .5530 |
|
O11 .6667 .8333 .1837 |
|
O12 0 .5 .1837 |
|
O13 .6667 .5 .1497 |
|
O14 .3333 .8333 .1497 |
|
O15 .8333 .6667 .2197 |
|
O16 .8333 .1667 .2197 |
|
O17 .3333 .6667 .2197 |
|
O18 0 .6667 .1137 |
|
O19 .5 .6667 .1137 |
|
O20 .5 .1667 .1137 |
|
O21 0 .8333 .3503 |
|
O22 .6667 .1667 .3503 |
|
O23 0 .5 .3163 |
|
O24 .6667 .8333 .3163 |
|
O25 .8333 0 .3863 |
|
O26 .3333 0 .3863 |
|
O27 .8333 .5 .3863 |
|
O28 .8333 .1667 .2803 |
|
O29 .8333 .6667 .2803 |
|
O30 .3333 .6667 .2803 |
|
OH1 0 .1667 .0170 .50 |
|
OH2 .6667 .5 .5170 .50 |
|
OH3 .3333 .1667 .1837 .50 |
|
OH4 0 .1667 .1497 .50 |
|
OH5 .3333 .5 .3503 .50 |
|
OH6 .3333 .1667 .3163 .50 |
|
F1 0 .1667 .0170 .50 |
|
F2 .6667 .5 .5170 .50 |
|
F3 .3333 .1667 .1837 .50 |
|
F4 0 .1667 .1497 .50 |
|
F5 .3333 .5 .3503 .50 |
|
F6 .3333 .1667 .3163 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chlorapatite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1010916 |
|
_database_code_amcsd 0017642 |
|
9.52 9.52 6.85 90 90 120 P6_3/m |
|
atom x y z |
|
Ca1 1/3 2/3 0 |
|
Ca2 .25 0 .25 |
|
P1 .417 .361 .25 |
|
O1 1/3 .5 .25 |
|
O2 .6 .467 .25 |
|
O3 1/3 .25 .064 |
|
Cl1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorapatite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1010996 |
|
_database_code_amcsd 0017911 |
|
9.37 9.37 6.88 90 90 120 P6_3/m |
|
atom x y z |
|
Ca1 1/3 2/3 0 |
|
Ca2 .25 0 .25 |
|
P1 .417 .361 .25 |
|
O1 1/3 .5 .25 |
|
O2 .6 .467 .25 |
|
O3 1/3 .25 .063 |
|
F1 0 0 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mimetite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1010997 |
|
_database_code_amcsd 0017912 |
|
10.24 10.24 7.43 90 90 120 P6_3/m |
|
atom x y z |
|
Pb1 1/3 2/3 0 |
|
Pb2 .25 0 .25 |
|
As1 .411 .392 .25 |
|
O1 .317 .458 .25 |
|
O2 .644 .503 .25 |
|
O3 .336 .272 .061 |
|
Cl1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyromorphite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The crystal structures of some natural and synthetic apatite-like |
|
substances |
|
_cod_database_code 1011137 |
|
_database_code_amcsd 0018026 |
|
9.95 9.95 7.31 90 90 120 P6_3/m |
|
atom x y z |
|
Pb1 1/3 2/3 0 |
|
Pb2 .25 .063 .25 |
|
P1 .417 .369 .25 |
|
O1 .344 .481 .25 |
|
O2 .6 .464 .25 |
|
O3 .35 .25 .064 |
|
Cl1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Vanadinite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1011138 |
|
_database_code_amcsd 0018027 |
|
10.31 10.31 7.34 90 90 120 P6_3/m |
|
atom x y z |
|
Pb1 1/3 2/3 0 |
|
Pb2 .25 0 .25 |
|
V1 .411 .392 .25 |
|
O1 .317 .458 .25 |
|
O2 .644 .503 .25 |
|
O3 .336 .272 .061 |
|
Cl1 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hydroxylapatite |
|
Hendricks S, Jefferson M, Mosley V |
| |
Zeitschrift fur Kristallographie 81 (1932) 352-369 |
|
The Crystal Structures of Some Natural and Synthetic Apatite-Like |
|
Substances |
|
_cod_database_code 1011242 |
|
_database_code_amcsd 0018108 |
|
9.40 9.40 6.93 90 90 120 P6_3/m |
|
atom x y z |
|
Ca1 1/3 2/3 0 |
|
Ca2 .25 0 .25 |
|
P1 .417 .361 .25 |
|
O1 1/3 .5 .25 |
|
O2 .6 .467 .25 |
|
O3 1/3 .25 .063 |
|
O4 0 0 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Oxammite |
|
Hendriks S, Jefferson M |
| |
Journal of Chemical Physics 4 (1936) 102-107 |
|
Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of |
|
the oxalate group |
|
_cod_database_code 1011115 |
|
_database_code_amcsd 0018010 |
|
8.04 10.27 3.82 90 90 90 P2_12_12 |
|
atom x y z |
|
C1 .092 .027 .07 |
|
O1 .2 -.056 .14 |
|
O2 .118 .142 0 |
|
N1 .386 .228 .43 |
|
Wat3 0 .5 .2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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