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Hausmannite |
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Baron V, Gutzmer J, Rundlof H, Tellgren R |
 |
American Mineralogist 83 (1998) 786-793 |
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The influence of iron substitution on the magnetic properties of hausmannite, |
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Mn(Fe,Mn)2O4 |
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Sample at T = 295 K, natural |
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_database_code_amcsd 0002024 |
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5.7691 5.7691 9.4605 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z |
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Mn2+ 0 .75 .125 |
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Mn3+ 0 0 .5 |
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O 0 .4723 .2592 |
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| Download AMC data (View Text File)
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Hausmannite |
|
Baron V, Gutzmer J, Rundlof H, Tellgren R |
|
American Mineralogist 83 (1998) 786-793 |
|
The influence of iron substitution on the magnetic properties of hausmannite, |
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Mn(Fe,Mn)2O4 |
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Sample at T = 295 K, natural |
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_database_code_amcsd 0002025 |
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5.7760 5.7760 9.432 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ |
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Mn2+ 0 .75 .125 |
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Mn3+ 0 0 .5 .969 |
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Fe3+ 0 0 .5 .031 |
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O 0 .4728 .2590 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Hausmannite |
|
Baron V, Gutzmer J, Rundlof H, Tellgren R |
|
American Mineralogist 83 (1998) 786-793 |
|
The influence of iron substitution on the magnetic properties of hausmannite, |
|
Mn(Fe,Mn)2O4 |
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Sample at T = 295 K, synthetic |
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_database_code_amcsd 0002026 |
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5.7843 5.7843 9.297 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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atom x y z occ |
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Mn2+ 0 .75 .125 .943 |
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Fe2+ 0 .75 .125 .057 |
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Mn3+ 0 0 .5 .880 |
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Fe3+ 0 0 .5 .120 |
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O 0 .4732 .2597 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Henritermierite |
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Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
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Kunz M, Medenbach O, Gutzmer J |
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American Mineralogist 86 (2001) 147-158 |
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Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
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Mn3+ hydrogarnet, henritermierite |
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Sample: T = 100 K |
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_database_code_amcsd 0002619 |
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12.468 12.468 11.894 90 90 90 *I4_1/acd |
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.5 .25 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 0 0 0 .967 .00299 .00320 .00265 .00041 -.00043 -.00043 |
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Al1 0 0 0 .033 .00299 .00320 .00265 .00041 -.00043 -.00043 |
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Ca1 .36177 0 .25 .0034 .0041 .0042 0 0 -.00074 |
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Ca2 0 .25 .125 .00454 .00454 .0043 -.0011 0 0 |
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Si1 .11595 0 .25 .0027 .0037 .0030 0 0 -.0004 |
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O1 .29522 .71857 .09654 .0057 .0045 .0034 -.0005 .0002 -.0008 |
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O2 .15985 .55463 .05400 .0047 .0050 .0049 -.0011 .0007 .0008 |
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O3 .4427 .3601 .0219 .954 .0058 .0054 .0052 -.0006 .0013 -.0003 |
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Si2 .5 .25 .125 .044 .4 |
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H3 .432 .350 .083 .95 2.1 |
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O3a .454 .347 .030 .044 .79 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Henritermierite |
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Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
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Kunz M, Medenbach O, Gutzmer J |
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American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
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Mn3+ hydrogarnet, henritermierite |
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Sample: T = 293 K |
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_database_code_amcsd 0002620 |
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12.489 12.489 11.909 90 90 90 *I4_1/acd |
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.5 .25 .125 |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 0 0 0 .967 .00571 .00572 .00478 .00100 -.00063 -.00075 |
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Al1 0 0 0 .033 .00571 .00572 .00478 .00100 -.00063 -.00075 |
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Ca1 .36180 0 .25 .00605 .00740 .00775 0 0 -.00111 |
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Ca2 0 .25 .125 .00918 .00918 .0072 -.00300 0 0 |
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Si1 .11599 0 .25 .0045 .0057 .0046 0 0 -.00035 |
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O1 .29485 .71842 .09651 .0094 .0070 .0056 -.0009 .0003 -.0011 |
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O2 .15990 .55480 .05381 .0071 .0085 .0074 -.0018 .0008 .0012 |
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O3 .44271 .36023 .02146 .947 .0093 .0071 .0083 -.0014 .0022 -.0007 |
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Si2 .5 .25 .125 .047 .6 |
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H3 .433 .354 .080 .95 4.6 |
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O3a .456 .346 .036 .044 .79 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
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Mn3+ hydrogarnet, henritermierite |
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Sample: P = 8.6 GPa |
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_database_code_amcsd 0002621 |
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12.1577 12.1577 11.6919 90 90 90 *I4_1/acd |
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.5 .25 .125 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn1 0 0 0 .00133 .00149 .00164 .00018 -.00015 .00009 |
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Ca1 .36427 0 .25 .00149 .00172 .00190 0 0 .00009 |
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Ca2 0 .25 .125 .00172 .00172 .00173 -.00090 0 0 |
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Si1 .11789 0 .25 .947 .74 |
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O1 .29942 .71776 .09575 .91 |
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O2 .15909 .55218 .05617 .86 |
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O3 .44546 .35596 .02735 .76 |
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Si2 .5 .25 .125 .047 .8 |
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H3 .433 .354 .08 .95 5.0 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Henritermierite |
|
Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R, |
|
Kunz M, Medenbach O, Gutzmer J |
|
American Mineralogist 86 (2001) 147-158 |
|
Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal |
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Mn hydrogarnet, henritermierite |
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Sample: T = 293 K after heating to 800 K |
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_database_code_amcsd 0002622 |
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12.1225 12.1225 12.1225 90 90 90 Ia-3d |
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atom x y z occ Biso |
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Mn1 0 0 0 1.33 |
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Mn2 .312 .062 3/8 .044 .79 |
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Ca 0 .25 .125 1.42 |
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Si1 3/8 0 .25 .81 .9 |
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O .4627 -.0487 .1540 2.0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Tweddillite |
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Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
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Mineralogical Magazine 66 (2002) 137-150 |
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Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
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from the Kalahari manganese fields, South Africa |
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Locality: Kalahari manganese fields, South Africa |
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_database_code_amcsd 0014561 |
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8.934 5.718 10.325 90 114.54 90 P2_1/m |
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atom x y z occ Biso |
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CaA1 .7646 .75 .1575 .92 |
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SrA2 .5941 .75 .42163 1.03 |
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AlM1 0 0 0 .43 .64 |
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Mn3+M1 0 0 0 .48 .64 |
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Fe3+M1 0 0 0 .09 .64 |
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AlM2 0 0 .5 .66 |
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Mn3+M3 .2954 .25 .2181 5/6 .90 |
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Fe3+M3 .2954 .25 .2181 1/6 .90 |
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Si1 .3417 .75 .0411 .95 |
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Si2 .6877 .25 .2787 .85 |
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Si3 .1803 .75 .3150 .86 |
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O1 .2389 .9915 .0386 1.42 |
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O2 .2984 .9786 .3480 1.14 |
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O3 .7967 .0160 .3433 1.17 |
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O4 .0600 .25 .1312 .9 |
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O5 .0369 .75 .1479 1.0 |
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O6 .0661 .75 .4061 1.0 |
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O7 .5174 .75 .1691 1.4 |
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O8 .5277 .25 .3110 1.0 |
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O9 .6323 .25 .1063 1.8 |
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O10 .0815 .25 .4293 .9 |
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H10 .06 .25 .339 3.95 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Manganvesuvianite |
| |
Armbruster T, Gnos E, Dixon R, Gutzmer J, Hejny C, Dobelin N, Medenbach O |
|
Mineralogical Magazine 66 (2002) 137-150 |
|
Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals |
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from the Kalahari manganese fields, South Africa |
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Locality: Kalahari manganese fields, South Africa |
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_database_code_amcsd 0014562 |
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15.575 15.575 11.824 90 90 90 *P4/n |
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.25 -.25 0 |
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atom x y z occ Biso |
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CaX1 -.25 .25 .2504 .81 |
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CaX2A .18951 -.04395 .62112 .84 |
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CaX2B -.04570 .18816 -.12041 .81 |
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CaX3A .09891 .17897 .11669 1.35 |
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CaX3B -.39895 -.18214 -.39052 1.27 |
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MnY2A 0 0 0 .10 .69 |
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AlY2A 0 0 0 .90 .69 |
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MnY2B -.5 0 .5 .05 .69 |
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AlY2B -.5 0 .5 .95 .69 |
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MnY3A -.11226 .11962 .12497 .19 .73 |
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AlY3A -.11226 .11962 .12497 .81 .73 |
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MnY3B -.38839 .12156 .37384 .16 .74 |
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AlY3B -.38839 .12156 .37384 .84 .74 |
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CaX4B .25 .25 -.1469 .324 1.1 |
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MnY1B .25 .25 .5428 .324 .92 |
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CaX4A .25 .25 .6475 .676 .95 |
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MnY1A .25 .25 -.0454 .676 .81 |
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SiZ1A -.25 .25 0 .734 |
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SiZ1B -.25 .25 .5 .734 |
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SiZ2A -.04035 .31890 .1292 .734 |
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SiZ2B -.04115 .18017 .3719 .734 |
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SiZ3A .08686 .34911 -.1352 .734 |
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SiZ3B .08199 .15100 .6357 .734 |
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O1A -.2212 .1725 .0858 .86 |
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O1B -.2808 .1724 .4148 .84 |
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O2A -.1174 .3385 .2212 .98 |
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O2B -.1177 .1588 .2803 .90 |
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O3A -.0470 .2219 .0751 .94 |
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O3B -.0478 .2767 .4253 .80 |
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O4A -.0614 .3934 .0321 1.01 |
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O4B -.0620 .1059 .4711 .88 |
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O5A -.0104 .3272 -.1771 1.16 |
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O5B -.0150 .1701 .6797 1.08 |
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O6A .1256 .2728 -.0572 1.37 |
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O6B .1181 .2285 .5598 1.34 |
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O7A .0561 .3262 .1805 1.24 |
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O7B .0554 .1722 .3232 1.06 |
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O8A .0928 .4386 -.0660 .84 |
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O8B .0909 .0610 .5678 .95 |
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O9 .1479 .3562 -.2496 1.09 |
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O10A .25 .25 .1344 1.34 |
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O10B -.25 -.25 -.3648 1.27 |
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OH11A -.0048 .0600 .1367 .95 |
|
OH11B -.4960 .0626 .3645 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
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