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Hagendorfite |
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Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
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European Journal of Mineralogy 17 (2005) 915-932 |
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Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
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Crystal structure determination and 57Fe Mossbauer spectroscopy |
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Locality: Hagendorf, Bavaria, Germany |
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Note: alluaudite structure |
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Sample: T = 100K |
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_database_code_amcsd 0007137 |
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11.9492 12.5548 6.4966 90 114.816 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 0 0 .83 .0481 |
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CaA1 .5 0 0 .17 .0481 |
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NaA2' 0 -.0192 .25 .0241 |
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MnM1 0 .2672 .25 .0104 |
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FeM2 .2790 .6580 .3650 .0094 |
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P1 0 -.2885 .25 .0103 |
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P2 .2344 -.1080 .1273 .0109 |
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O1 .4557 .7180 .5371 .0122 |
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O2 .0986 .6353 .2419 .0192 |
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O3 .3361 .6647 .1028 .0150 |
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O4 .1282 .4035 .3199 .0170 |
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O5 .2233 .8238 .3143 .0152 |
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O6 .3284 .5001 .3856 .0162 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Hagendorfite |
|
Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
| |
European Journal of Mineralogy 17 (2005) 915-932 |
|
Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
|
Crystal structure determination and 57Fe Mossbauer spectroscopy |
|
Locality: Hagendorf, Bavaria, Germany |
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Note: alluaudite structure |
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Sample: T = 298K |
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_database_code_amcsd 0007138 |
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11.9721 12.5988 6.5029 90 114.841 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 0 0 .83 .0520 |
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CaA1 .5 0 0 .17 .0520 |
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NaA2' 0 -.0192 .25 .0359 |
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MnM1 0 .2670 .25 .0149 |
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FeM2 .2788 .6577 .3645 .0125 |
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P1 0 -.2881 .25 .0128 |
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P2 .2348 -.1080 .1276 .0133 |
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O1 .4555 .7180 .5376 .0159 |
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O2 .0983 .6360 .2409 .0225 |
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O3 .3357 .6640 .1025 .0182 |
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O4 .1284 .4033 .3201 .0209 |
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O5 .2237 .8242 .3143 .0194 |
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O6 .3273 .5000 .3848 .0209 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Alluaudite |
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Redhammer G J, Tippelt G, Bernroider M, Lottermoser W, Amthauer G, Roth G |
| |
European Journal of Mineralogy 17 (2005) 915-932 |
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Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): |
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Crystal structure determination and 57Fe Mossbauer spectroscopy |
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Locality: Buranga, Rwanda |
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Sample: T = 298K |
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_database_code_amcsd 0007139 |
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11.9941 12.5256 6.3973 90 114.257 90 C2/c |
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atom x y z occ Uiso |
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NaA1 .5 .0 0 .68 .0371 |
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CaA1 .5 .0 0 .32 .0371 |
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NaA2' 0 -.0136 .25 .16 .0387 |
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FeM1 0 .2598 .25 .0122 |
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FeM2 .2813 .6521 .3721 .74 .0093 |
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AlM2 .2813 .6521 .3721 .26 .0093 |
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P1 0 -.2852 .25 .0096 |
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P2 .2428 -.1086 .1319 .0097 |
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O1 .4531 .7150 .5330 .0125 |
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O2 .0993 .6397 .2412 .0163 |
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O3 .3275 .6640 .1024 .0133 |
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O4 .1211 .3980 .3131 .0163 |
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O5 .2259 .8221 .3185 .0134 |
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O6 .3105 .5023 .3745 .0170 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Frondelite |
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Redhammer G J, Roth G, Tippelt G, Bernroider M, |
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Lottermoser W, Amthauer G, Hochleitner R |
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Acta Crystallographica C62 (2006) i24-i28 |
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Manganoan rockbridgeite Fe4.32Mn0.62Zn0.06(PO4)3(OH)5: |
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structure analysis and 57Fe Mossbauer spectroscopy |
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Locality: Hagendorf pegmatite, Bavaria, Germany |
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_database_code_amcsd 0017679 |
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5.1761 13.9774 16.8689 90 90 90 Cmcm |
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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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Fe1 0 0 0 .0113 .0125 .0104 .0110 .000 .000 -.0003 |
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Fe2 0 .06813 .15645 .66 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Mn2 0 .06813 .15645 .31 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Zn2 0 .06813 .15645 .03 .0165 .0240 .0134 .0122 .000 .000 -.0003 |
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Fe3 .2305 .32125 .13886 .50 .0093 .0109 .0092 .0077 .0020 -.0002 -.0009 |
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P1 .5 .14322 .04337 .0098 .0143 .0083 .0068 .000 .000 -.0008 |
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P2 0 .48232 .25 .0120 .0160 .0104 .0095 .000 .000 .000 |
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O1 .2438 .5456 .25 .0209 .026 .020 .017 -.009 .000 .000 |
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O2 .2572 .0811 .05719 .0143 .0134 .0141 .0154 -.0046 -.0011 -.0032 |
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Oh3 .3793 .3127 .2500 .50 .0140 .014 .018 .009 .004 .000 .000 |
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O4 .5 .1822 -.0401 .0229 .043 .016 .009 .000 .000 .0026 |
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OH5 0 .2175 .1760 .0215 .041 .013 .010 .000 .000 .0015 |
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Oh6 .5 .4233 .1045 .0136 .016 .009 .016 .000 .000 .0014 |
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O7 0 .4204 .1748 .0159 .022 .017 .0089 .000 .000 -.0020 |
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O8 .5 .2220 .1068 .0115 .014 .010 .011 .000 .000 -.0017 |
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H3 .5 .243 .2500 .05 |
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H6 .5 .4045 .0650 .07 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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