American Mineralogist Crystal Structure Database

4 matching records for this search.

Hagendorfite
Download hom/hagendorfite.pdf
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
Note: alluaudite structure
Sample: T = 100 K
_database_code_amcsd 0007137
11.9492 12.5548 6.4966 90 114.816 90 C2/c
atom      x      y     z occ  Uiso
NaA1     .5      0     0 .83 .0481
CaA1     .5      0     0 .17 .0481
NaA2'     0 -.0192   .25     .0241
MnM1      0  .2672   .25     .0104
FeM2  .2790  .6580 .3650     .0094
P1        0 -.2885   .25     .0103
P2    .2344 -.1080 .1273     .0109
O1    .4557  .7180 .5371     .0122
O2    .0986  .6353 .2419     .0192
O3    .3361  .6647 .1028     .0150
O4    .1282  .4035 .3199     .0170
O5    .2233  .8238 .3143     .0152
O6    .3284  .5001 .3856     .0162
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View JMOL 3-D Structure (permalink)
 
Hagendorfite
Download hom/hagendorfite.pdf
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
Note: alluaudite structure
Sample: T = 298 K
_database_code_amcsd 0007138
11.9721 12.5988 6.5029 90 114.841 90 C2/c
atom      x      y     z occ  Uiso
NaA1     .5      0     0 .83 .0520
CaA1     .5      0     0 .17 .0520
NaA2'     0 -.0192   .25     .0359
MnM1      0  .2670   .25     .0149
FeM2  .2788  .6577 .3645     .0125
P1        0 -.2881   .25     .0128
P2    .2348 -.1080 .1276     .0133
O1    .4555  .7180 .5376     .0159
O2    .0983  .6360 .2409     .0225
O3    .3357  .6640 .1025     .0182
O4    .1284  .4033 .3201     .0209
O5    .2237  .8242 .3143     .0194
O6    .3273  .5000 .3848     .0209
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alluaudite
Download hom/alluaudite.pdf
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: Buranga, Rwanda
Sample: T = 298 K
_database_code_amcsd 0007139
11.9941 12.5256 6.3973 90 114.257 90 C2/c
atom      x      y     z occ  Uiso
NaA1     .5     .0     0 .68 .0371
CaA1     .5     .0     0 .32 .0371
NaA2'     0 -.0136   .25 .16 .0387
FeM1      0  .2598   .25     .0122
FeM2  .2813  .6521 .3721 .74 .0093
AlM2  .2813  .6521 .3721 .26 .0093
P1        0 -.2852   .25     .0096
P2    .2428 -.1086 .1319     .0097
O1    .4531  .7150 .5330     .0125
O2    .0993  .6397 .2412     .0163
O3    .3275  .6640 .1024     .0133
O4    .1211  .3980 .3131     .0163
O5    .2259  .8221 .3185     .0134
O6    .3105  .5023 .3745     .0170
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Frondelite
Download hom/frondelite.pdf
Redhammer G J, Roth G, Tippelt G, Bernroider M,
Lottermoser W, Amthauer G, Hochleitner R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=62&spage=24
Acta Crystallographica C62 (2006) i24-i28
Manganoan rockbridgeite Fe4.32Mn0.62Zn0.06(PO4)3(OH)5:
structure analysis and 57Fe Mossbauer spectroscopy
Locality: Hagendorf pegmatite, Bavaria, Germany
_database_code_amcsd 0017679
5.1761 13.9774 16.8689 90 90 90 Cmcm
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1      0      0      0     .0113  .0125  .0104  .0110   .000   .000 -.0003
Fe2      0 .06813 .15645 .66 .0165  .0240  .0134  .0122   .000   .000 -.0003
Mn2      0 .06813 .15645 .31 .0165  .0240  .0134  .0122   .000   .000 -.0003
Zn2      0 .06813 .15645 .03 .0165  .0240  .0134  .0122   .000   .000 -.0003
Fe3  .2305 .32125 .13886 .50 .0093  .0109  .0092  .0077  .0020 -.0002 -.0009
P1      .5 .14322 .04337     .0098  .0143  .0083  .0068   .000   .000 -.0008
P2       0 .48232    .25     .0120  .0160  .0104  .0095   .000   .000   .000
O1   .2438  .5456    .25     .0209   .026   .020   .017  -.009   .000   .000
O2   .2572  .0811 .05719     .0143  .0134  .0141  .0154 -.0046 -.0011 -.0032
Oh3  .3793  .3127  .2500 .50 .0140   .014   .018   .009   .004   .000   .000
O4      .5  .1822 -.0401     .0229   .043   .016   .009   .000   .000  .0026
OH5      0  .2175  .1760     .0215   .041   .013   .010   .000   .000  .0015
Oh6     .5  .4233  .1045     .0136   .016   .009   .016   .000   .000  .0014
O7       0  .4204  .1748     .0159   .022   .017  .0089   .000   .000 -.0020
O8      .5  .2220  .1068     .0115   .014   .010   .011   .000   .000 -.0017
H3      .5   .243  .2500       .05
H6      .5  .4045  .0650       .07
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 4
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