|
Grossular |
 |
Allen F M, Buseck P R |
 |
American Mineralogist 73 (1988) 568-584 |
|
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets |
|
Sample: before heating |
|
Note: Data was obtained from the ICSD |
|
_database_code_amcsd 0001147 |
|
11.845 11.858 11.846 90 90 90 I-1 |
|
atom x y z occ Uiso |
|
Ca1 .1251 .0001 .2499 .84 .0079 |
|
Fe1 .1251 .0001 .2499 .16 .0079 |
|
Ca2 .625 0 .25 .8 .0079 |
|
Fe2 .625 0 .25 .2 .0079 |
|
Ca3 .0001 .25 .125 .9 .008 |
|
Fe3 .0001 .25 .125 .1 .008 |
|
Ca4 .5 .75 .125 .77 .0084 |
|
Fe4 .5 .75 .125 .23 .0084 |
|
Ca5 .25 .125 0 .77 .0081 |
|
Fe5 .25 .125 0 .23 .0081 |
|
Ca6 .25 .625 0 .87 .0078 |
|
Fe6 .25 .625 0 .13 .0078 |
|
Al1 0 0 0 .86 .0075 |
|
Fe7 0 0 0 .14 .0075 |
|
Al2 .5 0 0 .81 .0067 |
|
Fe8 .5 0 0 .19 .0067 |
|
Al3 .25 .25 .25 .0064 |
|
Al4 .75 .25 .25 .85 .0067 |
|
Fe9 .75 .25 .25 .15 .0067 |
|
Al5 0 .5 0 .93 .007 |
|
Fe10 0 .5 0 .07 .007 |
|
Al6 .5 .5 0 .84 .0073 |
|
Fe11 .5 .5 0 .16 .0073 |
|
Al7 .25 .75 .25 .85 .007 |
|
Fe12 .25 .75 .25 .15 .007 |
|
Al8 .75 .75 .25 .88 .0061 |
|
Fe13 .75 .75 .25 .12 .0061 |
|
Si1 .375 .0001 .2502 .0063 |
|
Si2 .8751 .0001 .2499 .0062 |
|
Si3 .0001 .75 .1249 .0066 |
|
Si4 .4999 .25 .125 .0066 |
|
Si5 .2499 .3749 .0002 .0064 |
|
Si6 .7503 .125 0 .0064 |
|
O1 .5383 .5457 .1516 .0081 |
|
O2 .0379 .4545 .1512 .0084 |
|
O3 .9018 .2957 .2882 .0085 |
|
O4 .4016 .7042 .2883 .0089 |
|
O5 .6519 .0382 .046 .0083 |
|
O6 .1512 .962 .0456 .0085 |
|
O7 .7043 .7118 .0982 .0084 |
|
O8 .2043 .288 .0987 .0085 |
|
O9 .0457 .6516 .0382 .0087 |
|
O10 .5458 .3485 .0383 .0084 |
|
O11 .2121 .5984 .2042 .0077 |
|
O12 .7116 .4016 .2041 .0086 |
|
O13 .538 .4543 .3486 .0085 |
|
O14 .0381 .5457 .3481 .0083 |
|
O15 .0988 .2042 .2883 .0082 |
|
O16 .5982 .7958 .2882 .0086 |
|
O17 .8486 .5386 .0457 .0086 |
|
O18 .3483 .4618 .0461 .0087 |
|
O19 .2957 .7888 .0984 .0086 |
|
O20 .796 .2116 .0982 .0087 |
|
O21 .4539 .152 .0385 .0087 |
|
O22 .9542 .8486 .0385 .0084 |
|
O23 .712 .5981 .2961 .0086 |
|
O24 .2117 .4015 .2954 .0087 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Grossular |
|
Allen F M, Buseck P R |
|
American Mineralogist 73 (1988) 568-584 |
|
XRD, FTIR, and TEM studies of optically anisotropic grossular garnets |
|
Sample: after heating |
|
Note: Data was obtained from the ICSD |
|
_database_code_amcsd 0001148 |
|
11.837 11.840 11.836 90.01 89.98 90 I-1 |
|
atom x y z occ Uiso |
|
Ca1 .125 0 .25 .85 .0076 |
|
Fe1 .125 0 .25 .15 .0076 |
|
Ca2 .6249 0 .25 .86 .0075 |
|
Fe2 .6249 0 .25 .14 .0075 |
|
Ca3 .0001 .2499 .1251 .84 .0076 |
|
Fe3 .0001 .2499 .1251 .16 .0076 |
|
Ca4 .5 .75 .1251 .81 .0078 |
|
Fe4 .5 .75 .1251 .19 .0078 |
|
Ca5 .25 .125 .0001 .78 .0078 |
|
Fe5 .25 .125 .0001 .22 .0078 |
|
Ca6 .25 .625 .0001 .81 .0076 |
|
Fe6 .25 .625 .0001 .19 .0076 |
|
Al1 0 0 0 .88 .0064 |
|
Fe7 0 0 0 .12 .0064 |
|
Al2 .5 0 0 .87 .0067 |
|
Fe8 .5 0 0 .13 .0067 |
|
Al3 .25 .25 .25 .9 .0061 |
|
Fe9 .25 .25 .25 .1 .0061 |
|
Al4 .75 .25 .25 .91 .0061 |
|
Fe10 .75 .25 .25 .09 .0061 |
|
Al5 0 .5 0 .87 .0068 |
|
Fe11 0 .5 0 .13 .0068 |
|
Al6 .5 .5 0 .9 .006 |
|
Fe12 .5 .5 0 .1 .006 |
|
Al7 .25 .75 .25 .89 .0061 |
|
Fe13 .25 .75 .25 .11 .0061 |
|
Al8 .75 .75 .25 .9 .0057 |
|
Fe14 .75 .75 .25 .1 .0057 |
|
Si1 .3751 0 .25 .006 |
|
Si2 .8751 0 .2501 .006 |
|
Si3 .0001 .7499 .1251 .006 |
|
Si4 .5001 .2499 .1251 .006 |
|
Si5 .25 .3751 -.0001 .0058 |
|
Si6 .7501 .125 .0001 .0058 |
|
O1 .5384 .5457 .1516 .0078 |
|
O2 .0382 .4544 .1515 .0075 |
|
O3 .9017 .2957 .2878 .0079 |
|
O4 .4017 .7042 .2883 .0081 |
|
O5 .6516 .0382 .0457 .0077 |
|
O6 .1516 .9619 .0461 .0081 |
|
O7 .7041 .7119 .0981 .0081 |
|
O8 .2042 .2882 .0982 .0083 |
|
O9 .0458 .6515 .0384 .0079 |
|
O10 .546 .3484 .0383 .0076 |
|
O11 .2118 .5985 .2041 .0076 |
|
O12 .7116 .4014 .2041 .0078 |
|
O13 .5382 .4541 .3482 .0082 |
|
O14 .038 .5458 .3483 .008 |
|
O15 .0983 .2043 .2879 .0082 |
|
O16 .5983 .7958 .2878 .008 |
|
O17 .8483 .5383 .0454 .0082 |
|
O18 .3481 .4618 .0456 .008 |
|
O19 .2957 .7883 .0984 .0084 |
|
O20 .7958 .2118 .0983 .0079 |
|
O21 .4542 .1515 .0381 .0081 |
|
O22 .9542 .8484 .038 .008 |
|
O23 .7115 .5984 .2958 .0074 |
|
O24 .2119 .4016 .2959 .0078 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Colusite |
|
Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
|
American Mineralogist 79 (1994) 750-762 |
|
New occurrences and refined crystal chemistry of colusite, with comparisons to |
|
arsenosulvanite |
|
Sample: Sn-rich, crystal 2 |
|
_database_code_amcsd 0001671 |
|
10.621 10.621 10.621 90 90 90 P-43n |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V 0 0 0 .0096 .0096 .0096 0 0 0 |
|
Cu1 .2570 0 0 .0124 .0152 .0257 0 0 .0050 |
|
Cu2 .2495 .2495 .2495 .0264 .0264 .0264 .0012 .0012 .0012 |
|
Cu3 .25 0 .5 .0112 .0285 .0285 0 0 0 |
|
As .25 .5 0 .64 .0173 .0066 .0066 0 0 0 |
|
Sn .25 .5 0 .36 .0173 .0066 .0066 0 0 0 |
|
S1 .1192 .1192 .1192 .0186 .0186 .0186 -.0015 -.0015 -.0015 |
|
S2 .3704 .3734 .1220 .0140 .0061 .0207 -.0020 .0001 -.0004 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Arsenosulvanite |
|
Spry P G, Merlino S, Wang S, Zhang X, Buseck P R |
|
American Mineralogist 79 (1994) 750-762 |
|
New occurrences and refined crystal chemistry of colusite, with comparisons to |
|
arsenosulvanite |
|
Sample: Sn-poor, crystal 1 |
|
_database_code_amcsd 0001672 |
|
10.538 10.538 10.538 90 90 90 P-43n |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V 0 0 0 .0079 .0079 .0079 0 0 0 |
|
Cu1 .2592 0 0 .0136 .0228 .0191 0 0 -.0047 |
|
Cu2 .2513 .2513 .2513 .735 .0194 .0194 .0194 .0012 .0012 .0012 |
|
Cu3 .25 0 .5 .0262 .0269 .0269 0 0 0 |
|
As .25 .5 0 .0064 .0077 .0077 0 0 0 |
|
S1 .1209 .1209 .1209 .0088 .0088 .0088 -.0004 -.0004 -.0004 |
|
S2 .3655 .3742 .1208 .0286 .0090 .0144 .0065 -.0065 -.0008 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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)
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|
| |
|
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)
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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)
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|
| |
|
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)
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|
| |
|
CaGe2O5 |
| |
Nestola F, Nemeth P, Angel R J, Buseck P R |
| |
American Mineralogist 93 (2008) 1424-1428 |
|
Equation of state and crystal structure of a new germanate post-titanite phase |
|
Locality: synthetic |
|
Note: pressure = 8.6 GPa |
|
_database_code_amcsd 0004635 |
|
7.1236 8.1912 5.6468 90 90 90 Pbam |
|
atom x y z Uiso |
|
Ca .1313 .6663 .5 .0053 |
|
Ge1 0 0 .2543 .0044 |
|
Ge2 .8918 .6468 0 .0039 |
|
O1 .1087 .2079 .243 .005 |
|
O2 0 .5 .204 .005 |
|
O3 .161 .9439 .5 .005 |
|
O4 .655 .575 0 .005 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Neltnerite |
|
de Villiers J P R, Dobson S M, Buseck P R |
| |
European Journal of Mineralogy 3 (1991) 567-573 |
|
Refinement of the crystal structure of neltnerite, |
|
a member of the bixbyite-braunite group of minerals |
|
_database_code_amcsd 0006420 |
|
9.468 9.468 18.862 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM1 0 1/4 .125 .95 .0053 .0050 .0050 .0059 -.0009 0 0 |
|
MnM1 0 1/4 .125 .05 .0053 .0050 .0050 .0059 -.0009 0 0 |
|
MnM2 0 0 0 .0045 .0044 .0047 .0043 -.0015 -.0010 -.0001 |
|
MnM3 .0283 0 1/4 .0048 .0037 .0052 .0055 0 0 .0014 |
|
MnM4 .2375 .4875 .125 .0045 .0045 .0045 .0044 -.0011 .0003 -.0003 |
|
Si 0 1/4 .375 .0044 .0037 .0037 .0058 0 0 0 |
|
O1 .1566 .3642 .0531 .0064 .0071 .0048 .0074 -.0012 .0014 -.0008 |
|
O2 .1422 .0791 .0564 .0052 .0054 .0054 .0048 -.0014 -.0012 -.0001 |
|
O3 .4212 .1355 .0748 .0069 .0070 .0074 .0064 -.0009 -.0012 -.0018 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Priderite |
|
Post J E, Von Dreele R B, Buseck P R |
 |
Acta Crystallographica B38 (1982) 1056-1065 |
|
Symmetry and cation displacements in hollandites: |
|
structure refinements of hollandite, cryptomelane and priderite |
|
Locality: West Kimberley, Australia |
|
Note: Anisotropic displacement factors from ICSD |
|
_database_code_amcsd 0009757 |
|
10.139 10.139 2.9664 90 90 90 I4/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) |
|
K 0 0 .03 .33 .026 .0214 .0214 .036 0 0 0 |
|
Ba 0 0 .18 .05 .024 .013 .013 .076 0 0 0 |
|
Na 0 0 .5 .02 .01 |
|
Ti4+ .85138 .33235 0 .84 .0076 .0078 .0099 .0059 0 0 -.0017 |
|
Fe3+ .85138 .33235 0 .13 .0076 .0078 .0099 .0059 0 0 -.0017 |
|
Mg .85138 .33235 0 .03 .0076 .0078 .0099 .0059 0 0 -.0017 |
|
O1 .65498 .29604 0 .0062 .0059 .0064 .0063 0 0 -.0001 |
|
O2 .04076 .33441 0 .0068 .0046 .0104 .0067 0 0 -.0001 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cryptomelane |
|
Post J E, Von Dreele R B, Buseck P R |
|
Acta Crystallographica B38 (1982) 1056-1065 |
|
Symmetry and cation displacements in hollandites: |
|
structure refinements of hollandite, cryptomelane and priderite |
|
Locality: Chindwara, India |
|
Note: -1M polytype |
|
Note: Anisotropic displacement factors from ICSD |
|
_database_code_amcsd 0009758 |
|
9.956 2.8705 9.706 90 90.95 90 I2/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) |
|
K 0 0 0 .65 .026 .017 .072 .015 0 .0015 0 |
|
Na 0 .5 0 .11 .03 .023 .045 .019 0 .019 0 |
|
Sr 0 .185 0 .04 .02 .013 .045 .008 0 .000 0 |
|
Mn4+1 .85145 0 .33185 .79 .0044 .0056 .0029 .0055 0 .0007 0 |
|
Mn3+1 .85145 0 .33185 .15 .0044 .0056 .0029 .0055 0 .0007 0 |
|
Fe1 .85145 0 .33185 .04 .0044 .0056 .0029 .0055 0 .0007 0 |
|
Al1 .85145 0 .33185 .02 .0044 .0056 .0029 .0055 0 .0007 0 |
|
Mn4+2 .33546 0 .15305 .79 .0043 .0060 .0028 .0051 0 .0017 0 |
|
Mn3+2 .33546 0 .15305 .15 .0043 .0060 .0028 .0051 0 .0017 0 |
|
Fe2 .33546 0 .15305 .04 .0043 .0060 .0028 .0051 0 .0017 0 |
|
Al2 .33546 0 .15305 .02 .0043 .0060 .0028 .0051 0 .0017 0 |
|
O1 .6572 0 .3019 .0068 .0094 .0049 .0072 0 .0021 0 |
|
O2 .6561 0 .0420 .0070 .0123 .0050 .0058 0 .0012 0 |
|
O3 .2947 0 .3499 .0068 .0082 .0049 .0078 0 .0013 0 |
|
O4 .0423 0 .3249 .0072 .0064 .0047 .0126 0 .0007 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Hollandite |
|
Post J E, Von Dreele R B, Buseck P R |
|
Acta Crystallographica B38 (1982) 1056-1065 |
|
Symmetry and cation displacements in hollandites: |
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structure refinements of hollandite, cryptomelane and priderite |
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Locality: Stuor Njuoskes, Sweden |
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Note: Anisotropic displacement factors from ICSD |
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_database_code_amcsd 0009759 |
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10.026 2.8782 9.729 90 91.03 90 I2/m |
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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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Ba 0 0 0 .34 .014 .0137 .020 .0144 .0000 0 0 |
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Pb 0 .202 0 .04 .036 .031 .059 .029 .0006 0 0 |
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Mn4+1 .85183 0 .33266 .75 .0049 .0063 .0026 .0074 -.0001 0 0 |
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Mn3+1 .85183 0 .33266 .06 .0049 .0063 .0026 .0074 -.0001 0 0 |
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Fe1 .85183 0 .33266 .16 .0049 .0063 .0026 .0074 -.0001 0 0 |
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Al1 .85183 0 .33266 .03 .0049 .0063 .0026 .0074 -.0001 0 0 |
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Mn4+2 .33670 0 .15345 .75 .0050 .0071 .0028 .0064 .0006 0 0 |
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Mn3+2 .33670 0 .15345 .06 .0050 .0071 .0028 .0064 .0006 0 0 |
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Fe2 .33670 0 .15345 .16 .0050 .0071 .0028 .0064 .0006 0 0 |
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Al2 .33670 0 .15345 .03 .0050 .0071 .0028 .0064 .0006 0 0 |
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O1 .6583 0 .3022 .0088 .0100 .0071 .0091 .0000 0 0 |
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O2 .6552 0 .0414 .0084 .0128 .0056 .0080 .0006 0 0 |
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O3 .2940 0 .3502 .0088 .0092 .0074 .0096 -.0003 0 0 |
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O4 .0415 0 .3222 .0079 .0068 .0053 .0133 .0009 0 0 |
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