American Mineralogist Crystal Structure Database

26 matching records for this search.

Aegirine
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 24 C
pyroxene
9.658 8.795 5.294 90 107.42 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2905 .0894 .2351 .00050 .00073 .00385 -.00008 -.00029 -.00001
Fe1      0 .8989   1/4 .00082 .00086 .00457       0 -.00019       0
Na2      0 .2999   1/4 .00339 .00189 .00829       0 -.00119       0
O1   .1141 .0784 .1380 .00058 .00124 .00464 -.00014 -.00053  .00012
O2   .3582 .2558 .3001 .00133 .00085 .00748 -.00053  .00016  .00000
O3   .3518 .0079 .0118 .00107 .00190 .00512  .00017  .00001 -.00085
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Aegirine
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 400 C
pyroxene
9.677 8.829 5.298 90 107.33 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2904 .0891 .2338 .00163 .00282 .00629 -.00025  .00087 -.00011
Fe1      0 .8979   1/4 .00194 .00285 .00735       0  .00079       0
Na2      0 .3000   1/4 .00800 .00577 .01633       0 -.00092       0
O1   .1141 .0778 .1368 .00169 .00414 .00826 -.00038  .00065  .00072
O2   .3586 .2545 .2989 .00368 .00362 .01559 -.00132  .00235 -.00052
O3   .3514 .0076 .0112 .00232 .00528 .00954 -.00019  .00121 -.00200
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Aegirine
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Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 600 C
pyroxene
9.699 8.855 5.307 90 107.32 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2902 .0889 .2332 .00238 .00364 .00760 -.00031  .00122 -.00040
Fe1      0 .8974   1/4 .00278 .00375 .00922       0  .00124       0
Na2      0 .3001   1/4 .01073 .00762 .02049       0 -.00203       0
O1   .1142 .0775 .1364 .00241 .00541 .01021 -.00021  .00100  .00067
O2   .3587 .2537 .2975 .00518 .00435 .01936 -.00177  .00299 -.00056
O3   .3511 .0074 .0098 .00336 .00698 .01075  .00012  .00141 -.00240
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Aegirine
Download hom/aegirine.pdf
Cameron M, Sueno S, Prewitt C T, Papike J J
Download am/vol58/AM58_594.pdf
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 800 C
pyroxene
9.711 8.876 5.312 90 107.29 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2902 .0888 .2327 .00272 .00436 .01020 -.49000  .00147 -.28000
Fe1      0 .8969   1/4 .00331 .00457 .01195       0  .00122       0
Na2      0 .3002   1/4 .01312 .00858 .02591       0 -.00144       0
O1   .1146 .0771 .1356 .00275 .00641 .01382 -.40000  .00111  .89000
O2   .3588 .2532 .2967 .00590 .00510 .02409 -.00212  .00354 -.00111
O3   .3507 .0070 .0093 .00420 .00810 .01416 -.15000  .00227 -.00284
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Aegirine-augite
 
Bertolo S, Nimis P, Dal Negro A
Download am/vol79/AM79_668.pdf
American Mineralogist 79 (1994) 668-674
Low-Ca augite from experimental alkali basalt at 18 kbar: Structural variation
near the miscibility gap
Atomic parameters from ICSD
9.689 8.824 5.280 90 107.60 90 C2/c
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .2874   .25 .774       .0208  .0325  .0196      0  .0020      0
Na       0 .2874   .25 .226       .0208  .0325  .0196      0  .0020      0
Mg       0 .9056   .25 .901       .0130  .0106  .0162      0  .0036      0
Fe1      0 .9056   .25 .099       .0130  .0106  .0162      0  .0036      0
Si   .2917 .0918 .2414            .0133  .0110  .0207 -.0002  .0056 -.0012
O1   .1154 .0868 .1413            .0143  .0170  .0217  .0019  .0049 -.0010
O2   .3679 .2522 .3329            .0269  .0145  .0334 -.0042  .0143 -.0064
O3   .3534 .0174 .0088            .0147  .0368  .0366 -.0008  .0059 -.0191
Fe2      0 .2229   .25 .011 .025
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae504
9.7412 8.9086 5.2776 90 106.221 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3010   .25 .512 .0088
Ca2       0 .3010   .25 .488 .0088
Fe3+1     0 .9024   .25 .512 .0039
Fe2+1     0 .9024   .25 .488 .0039
Si    .2888 .0906 .2337      .0024
O1    .1163 .0832 .1439      .0069
O2    .3595 .2514 .3133      .0068
O3    .3511 .0137 .0024      .0059
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae551, T = 298 K
10 9 5 90 106 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3010   .25  .55 .0112
Ca2       0 .3010   .25  .45 .0112
Fe3+1     0 .9023   .25  .55 .0047
Fe2+1     0 .9023   .25  .45 .0047
Si    .2891 .0912 .2343      .0027
O1    .1169 .0832 .1447      .0066
O2    .3577 .2535 .3096      .0083
O3    .3519 .0144 .0050      .0070
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae601, T = 298 K
9.7176 8.8792 5.2828 90 106.530 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3011   .25 .604 .0122
Ca2       0 .3011   .25 .396 .0122
Fe3+1     0 .9016   .25 .604 .0064
Fe2+1     0 .9016   .25 .396 .0064
Si    .2892 .0908 .2335      .0042
O1    .1154 .0815 .1420      .0087
O2    .3592 .2531 .3093      .0107
O3    .3513 .0126 .0050      .0089
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Aegirine
Download hom/aegirine.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae701, T = 298 K
9.6993 8.8579 5.2813 90 106.637 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3009   .25 .711 .0108
Ca2       0 .3009   .25 .289 .0108
Fe3+1     0 .9012   .25 .711 .0040
Fe2+1     0 .9012   .25 .289 .0040
Si    .2894 .0904 .2340      .0029
O1    .1152 .0818 .1413      .0056
O2    .3586 .2532 .3078      .0076
O3    .3514 .0118 .0074      .0055
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae751, T = 298 K
9.6953 8.8491 5.2856 90 106.778 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3005   .25 .751 .0104
Ca2       0 .3005   .25 .249 .0104
Fe3+1     0 .9006   .25 .751 .0053
Fe2+1     0 .9006   .25 .249 .0053
Si    .2897 .0905 .2336      .0018
O1    .1147 .0804 .1400      .0047
O2    .3590 .2544 .3063      .0072
O3    .3514 .0121 .0074      .0056
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Aegirine
Download hom/aegirine.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae801
9.6804 8.8337 5.2831 90 106.877 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3004   .25 .825 .0131
Ca2       0 .3004   .25 .175 .0131
Fe3+1     0 .9003   .25 .825 .0055
Fe2+1     0 .9003   .25 .175 .0055
Si    .2899 .0904 .2343      .0039
O1    .1148 .0797 .1402      .0058
O2    .3587 .2544 .3050      .0086
O3    .3508 .0105 .0084      .0072
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae851
9.6654 8.8184 5.2805 90 106.976 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3001   .25 .851 .0127
Ca2       0 .3001   .25 .149 .0127
Fe3+1     0 .8997   .25 .851 .0046
Fe2+1     0 .8997   .25 .149 .0046
Si    .2900 .0899 .2346      .0036
O1    .1147 .0794 .1392      .0059
O2    .3587 .2548 .3038      .0090
O3    .3518 .0099 .0088      .0071
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae901, T = 298 K
9.6666 8.8099 5.2916 90 107.195 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .3003   .25 .898 .0117
Ca2       0 .3003   .25 .102 .0117
Fe3+1     0 .8994   .25 .898 .0022
Fe2+1     0 .8994   .25 .102 .0022
Si    .2903 .0895 .2346      .0013
O1    .1147 .0787 .1387      .0041
O2    .3584 .2555 .3015      .0053
O3    .3519 .0087 .0095      .0044
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Ae951, T = 298 K
9.6554 8.7998 5.2900 90 107.304 90 C2/c
atom      x     y     z  occ  Uiso
Na2       0 .2994   .25 .951 .0134
Ca2       0 .2994   .25 .049 .0134
Fe3+1     0 .8992   .25 .951 .0034
Fe2+1     0 .8992   .25 .049 .0034
Si    .2905 .0896 .2352      .0027
O1    .1144 .0786 .1381      .0044
O2    .3586 .2555 .3019      .0077
O3    .3520 .0088 .0111      .0056
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: nahp22, T = 298 K
9.6554 8.7952 5.2942 90 107.396 90 C2/c
atom     x     y     z  Uiso
Na2      0 .2988   .25 .0094
Fe1      0 .8990   .25 .0025
Si   .2908 .0896 .2360 .0022
O1   .1143 .0785 .1384 .0031
O2   .3591 .2553 .3015 .0062
O3   .3523 .0076 .0130 .0050
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Aegirine
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
 
American Mineralogist 91 (2006) 1271-1292
Single crystal X-ray diffraction and temperature dependent 57Fe Mossbauer
spectroscopy on the hedenbergite - aegirine (Ca,Na)(Fe2+,Fe3+)Si2O6 solid solution
Locality: synthetic
Sample: Nahp22a, T = 298 K
9.6554 8.7952 5.2942 90 107.396 90 C2/c
atom     x     y     z  Uiso
Na2      0 .2989   .25 .0106
Fe1      0 .8989   .25 .0046
Si   .2907 .0893 .2358 .0028
O1   .1144 .0785 .1379 .0068
O2   .3589 .2558 .3015 .0095
O3   .3519 .0081 .0129 .0084
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Aegirine
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd35Ae65
9.5663 8.7040 5.2733 90 107.600 90 C2/c
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
NaM2        0 .29844    .25      .0118  .0140  .0095  .0086       0 -.0014       0
AlM1        0 .90134    .25 .35 .00542  .0053  .0053  .0054       0 .00117       0
Fe3+M1      0 .90134    .25 .65 .00542  .0053  .0053  .0054       0 .00117       0
SiT    .29075 .09083 .23362     .00500  .0046  .0053  .0051 -.00007 .00150 -.00021
O1     .11233 .07785  .1345      .0078  .0052  .0086  .0094   .0006  .0018  -.0002
O2     .35929 .25862  .2992      .0096  .0118  .0061  .0109  -.0020  .0033  -.0010
O3     .35289 .00802  .0111      .0078  .0065  .0104  .0064   .0008  .0018  -.0021
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Aegirine
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd0Ae100
9.6623 8.8000 5.2956 90 107.579 90 C2/c
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaM2        0  .2961    .25 .0116  .0132  .0125  .0062      0 -.0031   .0000
Fe3+M1      0 .89921    .25 .0049  .0052  .0046  .0051      0 .00039       0
SiT    .29115 .08942 .23765 .0049  .0046  .0047  .0054 -.0006  .0006 -.00022
O1      .1146  .0789  .1393 .0067  .0052  .0080  .0070 -.0001  .0006   .0011
O2      .3591  .2556  .3032 .0097  .0107  .0063  .0125 -.0033  .0033  -.0014
O3      .3526  .0080  .0146 .0079  .0068  .0107  .0063   .000  .0009  -.0029
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae50/20
9.7441 8.9103 5.2791 90 106.225 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2984   .25 .50  .66
CaM2     0 .2984   .25 .50  .66
FeM1     0 .9011   .25      .44
SiT  .2894 .0893 .2345      .39
O1   .1150 .0835 .1472      .58
O2   .3611 .2508 .3048      .77
O3   .3446 .0156 .9968      .65
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae60/1
9.7189 8.8818 5.2835 90 106.598 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2982   .25 .60  .66
CaM2     0 .2982   .25 .40  .66
FeM1     0 .9013   .25      .44
SiT  .2893 .0895 .2368      .39
O1   .1182 .0851 .1469      .58
O2   .3613 .2500 .3127      .77
O3   .3496 .0134 .0049      .65
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae75/20
9.6977 8.8519 5.2861 90 106.765 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2975   .25 .75  .66
CaM2     0 .2975   .25 .25  .66
FeM1     0 .8998   .25      .44
SiT  .2884 .0883 .2361      .39
O1   .1171 .0830 .1351      .58
O2   .3507 .2504 .3128      .77
O3   .3493 .0118 .0105      .65
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae90/13
9.6714 8.8152 5.2926 90 107.166 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2994   .25 .90  .66
CaM2     0 .2994   .25 .10  .66
FeM1     0 .8992   .25      .44
SiT  .2898 .0893 .2338      .39
O1   .1164 .0788 .1378      .58
O2   .3603 .2550 .3078      .77
O3   .3498 .0122 .0117      .65
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae100/12
9.6549 8.7947 5.2938 90 107.394 90 C2/c
atom     x     y     z Biso
NaM2     0 .3003   .25 1.25
FeM1     0 .8987   .25  .52
SiT  .2905 .0887 .2344  .29
O1   .1141 .0772 .1374  .77
O2   .3586 .2550 .2990  .81
O3   .3494 .0095 .0111  .52
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Aegirine
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Redhammer G J, Amthauer G, Lottermoser W, Treutmann W
 
European Journal of Mineralogy 12 (2000) 105-120
Synthesis and structural properties of clinopyroxenes of the
hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
Sample: ae100/F3d
9.6543 8.8070 5.2943 90 107.316 90 C2/c
atom     x     y     z Biso
NaM2     0 .2983   .25  .43
FeM1     0 .8985   .25 .478
SiT  .2905 .0889 .2324  .14
O1   .1118 .0772 .1378 1.19
O2   .3599 .2540 .3026  .59
O3   .3489 .0117 .0076  .34
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Aegirine-augite
 
Ghose S, Kersten M, Langer K, Rossi G, Ungaretti L
 
Physics and Chemistry of Minerals 13 (1986) 291-305
Crystal field spectra and Jahn Teller effect of Mn3+
in clinopyroxene and clinoamphiboles from India
Note: variety blanfordite
9.6787 8.8394 5.2755 90 106.903 90 C2/c
atom      x      y      z  occ Biso
CaM2      0 .30020    .25  .34  .85
NaM2      0 .30020    .25  .66  .85
AlM1      0 .90098    .25  .02  .45
TiM1      0 .90098    .25  .01  .45
FeM1      0 .90098    .25  .52  .45
MnM1      0 .90098    .25  .09  .45
MgM1      0 .90098    .25  .36  .45
Al   .28911 .09109 .23338 .005  .35
Si   .28911 .09109 .23338 .995  .35
O1   .11465 .08185 .13927       .59
O2   .35967 .25376 .30926       .69
O3   .35132 .01229 .00546       .59
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Aegirine
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Ballet O, Coey J M D, Fillion G, Ghose A, Hewat A W, Regnard J R
 
Physics and Chemistry of Minerals 16 (1989) 672-677
Magnetic order in acmite; NaFeSi2O6
Sample: T = 14 K
9.68 8.83 5.30 90 107.3 90 C2/c
atom     x     y     z  occ
FeM1     0 .8991   .25 .992
NaM2     0 .2971   .25 .978
Si   .2890 .0918 .2377  .98
O1   .1141 .0791 .1387
O2   .3592 .2559 .3010
O3   .3540 .0072 .0113
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Total number of retrieved datasets: 26
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