|
Kanemite |
 |
Garvie L A J, Devouard B, Groy T L, Camara F, Buseck P R |
 |
American Mineralogist 84 (1999) 1170-1175 |
|
Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia |
|
_database_code_amcsd 0002274 |
|
4.946 20.502 7.275 90 90 90 Pbcn |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .0497 .2925 .0391 .0010 .0018 .0011 .0000 .0001 .0002 |
|
Na .5 .5115 -.25 .0034 .0029 .0025 0 .0000 0 |
|
O1 0 .3128 .25 .0033 .0042 .0014 0 .0004 0 |
|
O2 .0042 .3571 -.0790 .0031 .0023 .0014 .0003 .0000 .0003 |
|
O3 -.1438 .2326 -.0181 .0011 .0025 .0043 -.0008 -.0001 -.0001 |
|
O4 .4876 .5754 .0267 .0037 .0023 .0039 -.0002 .0001 -.0001 |
|
O5 0 .5411 -.25 .0029 .0060 .0111 0 .0003 0 |
|
H2A .0193 .3795 -.1989 .036 |
|
H4A .6450 .4020 -.0510 .065 |
|
H4B .3640 .4060 -.0430 .085 |
|
H5A .0067 .5071 -.3347 .170 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tuperssuatsiaite |
|
Camara F, Garvie L A J, Devouard B, Groy T L, Buseck P R |
|
American Mineralogist 87 (2002) 1458-1463 |
|
The structure of Mn-tuperssuatsiaite, a palygorskite-related mineral |
|
_database_code_amcsd 0002916 |
|
14.034 17.841 5.265 90 103.67 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) |
|
Si1 .2974 .4158 .0366 .016 .019 .013 .016 -.003 .006 0 |
|
Si2 .2962 .3327 .5301 .017 .022 .016 .013 -.005 .005 -.001 |
|
FeM1 .5 .5 0 .43 .014 .021 .011 .013 0 .007 0 |
|
MnM1 .5 .5 0 .57 .014 .021 .011 .013 0 .007 0 |
|
FeM2 .5 .4095 .5 .33 .015 .015 .018 .013 0 .003 0 |
|
MnM2 .5 .4095 .5 .67 .015 .015 .018 .013 0 .003 0 |
|
NaM3 .5 .2970 0 .94 .029 .030 .032 .021 0 -.002 0 |
|
O1 .4154 .4164 .1216 .017 .019 .017 .017 -.001 .009 -.002 |
|
O2 .4120 .3333 .5920 .022 .025 .026 .016 .001 .008 -.001 |
|
O3 .25 .25 .5 .031 .046 .019 .030 -.013 .013 0 |
|
OH4 .5699 .5 .3767 .020 .027 .015 .018 0 .006 0 |
|
O5 .2539 .5 -.0055 .022 .021 .013 .031 0 .002 0 |
|
O6 .2515 .3766 .2581 .021 .018 .027 .021 0 .009 .002 |
|
O7 .2563 .3716 .7655 .023 .021 .023 .025 -.006 .007 -.004 |
|
Wat8 .4291 .2048 .2070 .103 .095 .112 .115 -.060 .051 -.027 |
|
O9 .5560 0 .2900 .500 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Protoanthophyllite |
| |
Konishi H, Groy T L, Dodony I, Miyawaki R, Matsubara S, Buseck P R |
|
American Mineralogist 88 (2003) 1718-1723 |
|
Crystal structure of protoanthophyllite: A new mineral from the Takese ultramafic |
|
complex, Japan |
|
_database_code_amcsd 0003184 |
|
9.3553 17.9308 5.3117 90 90 90 Pnmn |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM1 0 .08724 .5 .9788 .0067 .0087 .0048 .0068 .000 -.0002 .000 |
|
FeM1 0 .08724 .5 .0212 .0067 .0087 .0048 .0068 .000 -.0002 .000 |
|
MgM2 0 .17748 0 .0066 .0067 .0064 .0068 .000 .0003 .000 |
|
MgM3 0 0 0 .9749 .0083 .0092 .0074 .0083 .000 -.0012 .000 |
|
FeM3 0 0 0 .0251 .0083 .0092 .0074 .0083 .000 -.0012 .000 |
|
MgM4 0 .25991 .5 .7226 .0085 .0096 .0090 .0070 .000 -.0020 .000 |
|
FeM4 0 .25991 .5 .2773 .0085 .0096 .0090 .0070 .000 -.0020 .000 |
|
SiT1 .28464 .08483 .17327 .9971 .00548 .0052 .0053 .0060 -.0003 -.0001 .0003 |
|
AlT1 .28464 .08483 .17327 .0040 .00548 .0052 .0053 .0060 -.0003 -.0001 .0003 |
|
SiT2 .29399 .17095 .67034 .9928 .00632 .0058 .0065 .0066 -.0009 .0001 -.0001 |
|
AlT2 .29399 .17095 .67034 .0080 .00632 .0058 .0065 .0066 -.0009 .0001 -.0001 |
|
O1 .11279 .08668 .1666 .0084 .0090 .0081 .0083 .0007 .0010 -.0003 |
|
O2 .12137 .17464 .6699 .0091 .0116 .0072 .0083 -.0009 -.0005 .0002 |
|
O3 .1128 0 .6656 .0090 .0076 .0089 .0104 .000 .0004 .000 |
|
O4 .1211 .25265 .1834 .0093 .0116 .0064 .0099 -.0022 .0005 -.0001 |
|
O5 .34360 .11987 .4330 .0118 .0101 .0138 .0115 .0005 -.0016 -.0051 |
|
O6 .34888 .13244 .9374 .0122 .0088 .0151 .0125 -.0005 -.0001 .0049 |
|
O7 .3414 0 .1502 .0102 .0068 .0079 .0158 .000 .0019 .000 |
|
H .225 0 .682 .036 |
|
NaA .5 0 .5 .048 .05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2SiO3OHF |
| |
Leinenweber K, Johnson J, Groy T |
|
American Mineralogist 90 (2005) 115-121 |
|
Ca2SiO3OHF - A high-pressure phase with dense |
|
calcium polyhedral packing and tetrahedral silicon |
|
_database_code_amcsd 0003666 |
|
5.8111 10.6050 6.6968 90 102.025 90 P2_1/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .2658 .0974 .0454 .0067 .0066 .0048 .0085 -.0006 .0012 -.0011 |
|
Ca2 .1886 .6976 .1925 .0071 .0060 .0072 .0081 .0014 .0014 .0003 |
|
Si .3138 .3855 .0988 .0059 .0068 .0063 .0046 -.0011 .0008 .0009 |
|
O1 .3902 .4976 .2570 .0090 .013 .009 .004 .002 .002 .001 |
|
O2 .5193 .2932 .0557 .0121 .012 .018 .007 .001 .003 .001 |
|
O3 .1110 .3027 .1621 .0153 .019 .011 .017 -.001 .006 -.001 |
|
OH .1705 .4481 -.1258 .0118 .011 .014 .009 .003 .000 -.004 |
|
F .1404 .8909 .0281 .0105 .011 .009 .014 -.002 .006 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaGe2O5 |
| |
Nemeth P, Leinenweber K, Groy T L, Buseck P R |
|
American Mineralogist 92 (2007) 441-443 |
|
A new high-pressure CaGe2O5 polymorph with 5- and 6-coordinated germanium |
|
_database_code_amcsd 0004283 |
|
7.306 8.268 5.714 90 90 90 Pbam |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .1355 .66590 .5 .0062 .0069 .0058 .0059 .0006 .000 .000 |
|
Ge1 0 0 .25331 .0045 .0055 .0045 .0036 -.0001 .000 .000 |
|
Ge2 .89175 .64576 0 .0045 .0045 .0048 .0041 -.0001 .000 .000 |
|
O1 .1055 .2076 .2389 .0066 .0105 .0052 .0041 -.0009 -.0001 .0013 |
|
O2 0 .5 .2071 .0074 .009 .008 .005 .0019 .000 .000 |
|
O3 .1567 .9446 .5 .0060 .006 .008 .004 .0010 .000 .000 |
|
O4 .6564 .5719 0 .0064 .006 .009 .004 -.0008 .000 .000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
