American Mineralogist Crystal Structure Database

51 matching records for this search.

Hedenbergite
Download hom/hedenbergite.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 = 24 C
pyroxene
_database_code_amcsd 0000345
9.845 9.024 5.245 90 104.74 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   .2878 .0924 .2326 .00111 .00116 .00359 -.00004 .00053 -.00022
Fe1      0 .9075   1/4 .00127 .00119 .00439       0 .00051       0
Ca2      0 .3003   1/4 .00215 .00171 .00532       0 .00006       0
O1   .1197 .0904 .1525 .00120 .00222 .00550  .00017 .00044 -.00007
O2   .3627 .2461 .3228 .00251 .00198 .00732 -.00065 .00086 -.00040
O3   .3502 .0198 .9932 .00165 .00246 .00582 -.00014 .00104 -.00112
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.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 = 400 C
pyroxene
_database_code_amcsd 0000346
9.87 9.077 5.258 90 105.01 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   .2875 .0921 .2329 .00205 .00236 .00677 -.00016  .00101 -.00021
Fe1      0 .9064   1/4 .00262 .00279 .00853       0  .00076       0
Ca2      0 .2993   1/4 .00468 .00339 .01085       0 -.00053       0
O1   .1195 .0898 .1519 .00222 .00388 .01084  .00020  .00095  .00015
O2   .3619 .2449 .3211 .00474 .00322 .01485 -.00126  .00179 -.00078
O3   .3497 .0180 .9949 .00292 .00467 .00986 -.00000  .00161 -.00226
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.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 = 600 C
pyroxene
_database_code_amcsd 0000347
9.884 9.11 5.264 90 105.11 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   .2875 .0918 .2329 .00264 .00315 .00843 -.00017  .00132 -.00027
Fe1      0 .9057   1/4 .00362 .00384 .01068       0  .00110       0
Ca2      0 .2990   1/4 .00645 .00440 .01377       0 -.00051       0
O1   .1194 .0894 .1514 .00285 .00522 .01290 -.00003  .00110  .00043
O2   .3620 .2444 .3200 .00628 .00417 .01778 -.00167  .00223 -.00120
O3   .3494 .0172 .9969 .00402 .00585 .01177 -.00010  .00224 -.00263
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.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
_database_code_amcsd 0000348
9.897 9.138 5.269 90 105.17 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   .2872 .0916 .2324 .00299 .00380 .01081 -.00035  .00129 -.00040
Fe1      0 .9054   1/4 .00443 .00463 .01316       0  .00119       0
Ca2      0 .2989   1/4 .00798 .00532 .01725       0 -.00080       0
O1   .1195 .0892 .1517 .00310 .00671 .01589  .00028  .00146  .00055
O2   .3618 .2436 .3193 .00720 .00529 .02319 -.00209  .00243 -.00118
O3   .3490 .0164 .9976 .00449 .00753 .01395 -.00004  .00213 -.00360
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.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 = 900 C
pyroxene
_database_code_amcsd 0000349
9.906 9.164 5.273 90 105.22 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   .2872 .0915 .2327 .00351 .00427 .01116 -.00027  .00159 -.00032
Fe1      0 .9051   1/4 .00495 .00543 .01422       0  .00122       0
Ca2      0 .2987   1/4 .00913 .00587 .01977       0 -.00088       0
O1   .1193 .0889 .1506 .00373 .00719 .01855 -.00020  .00198 -.00001
O2   .3617 .2429 .3188 .00823 .00565 .02357 -.00194  .00248 -.00063
O3   .3486 .0162 .9973 .00517 .00758 .01698  .00005  .00323 -.00458
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.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 = 1000 C
pyroxene
_database_code_amcsd 0000350
9.916 9.179 5.276 90 105.28 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   .2871 .0915 .2327 .00375 .00472 .01197 -.00010  .00175 -.00065
Fe1      0 .9049   1/4 .00561 .00600 .01650       0  .00161       0
Ca2      0 .2984   1/4 .00999 .00661 .02086       0 -.00128       0
O1   .1196 .0890 .1502 .00391 .00828 .01704 -.00010  .00141  .00016
O2   .3617 .2428 .3173 .00876 .00654 .02611 -.00247  .00254 -.00130
O3   .3484 .0160 .9976 .00540 .00863 .01733 -.00036  .00261 -.00454
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Ohashi Y, Burnham C W, Finger L W
Download am/vol60/AM60_423.pdf
American Mineralogist 60 (1975) 423-434
The effect of Ca-Fe substitution on the clinopyroxene crystal structure
Fs65Wo35
_database_code_amcsd 0000457
9.812 9.049 5.233 90 105.3 90 C2/c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .2901 .0910 .23700      .41  .0014  .0012  .0038 -.0002  .0011 -.0005
Fe       0 .9064    .25      .44  .0017  .0010  .0038      0  .0008      0
Fe1      0 .2908    .25  .3 1.31  .0025  .0074  .0050      0  .0001      0
Ca1      0 .2908    .25  .7 1.31  .0025  .0074  .0050      0  .0001      0
O1   .1207 .0895 .15260      .63  .0021  .0018  .0056  .0003  .0011  .0002
O2   .3658 .2448 .33170     1.10  .0039  .0023  .0134 -.0013  .0039 -.0022
O3   .3505 .0222 -.0055      .70  .0018  .0030  .0049      0  .0008 -.0014
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Ohashi Y, Burnham C W, Finger L W
Download am/vol60/AM60_423.pdf
American Mineralogist 60 (1975) 423-434
The effect of Ca-Fe substitution on the clinopyroxene crystal structure
Fs75Wo25
_database_code_amcsd 0000458
9.781 9.072 5.246 90 106.6 90 C2/c
atom     x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0 .9047    .25      .80  .0018  .0019  .0103 -.0001  .0019      0
Fe2      0 .2747    .25  .5 1.85  .0019  .0024  .0091      0  .0012      0
Ca       0 .2747    .25  .5 1.85  .0026  .0100  .0105      0 -.0007      0
Si   .2936 .0898 .24340      .75  .0026  .0100  .0105      0 -.0007      0
O1   .1207 .0893 .15170      .82  .0020  .0023  .0113  .0001  .0024 -.0025
O2   .3706 .2426 .34960     1.75  .0036  .0024  .0355 -.0006  .0070 -.0012
O3   .3520 .0255 -.0043     1.26  .0021  .0058  .0111  .0007  .0013 -.0029
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 0.0 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001861
9.8389 9.0214 5.2424 90 104.797 90 C2/c
atom      x       y      z Biso
Ca        0  .29953    .25  .68
Fe        0  .90720    .25  .44
Si   .28784 .092495 .23270  .44
O1   .11965  .08995 .15206  .56
O2   .36290  .24596 .32346  .81
O3   .35021  .01994 .99292  .66
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 1.1 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001862
9.810 8.985 5.224 90 104.58 90 C2/c
atom      x      y      z Biso
Ca        0 .30040    .25  .68
Fe        0 .90764    .25  .47
Si   .28782 .09305 .23216  .43
O1   .11951 .09068 .15267  .57
O2   .36247 .24747 .32409  .88
O3   .35052 .02100 .99087  .70
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 2.1 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001863
9.787 8.952 5.209 90 104.43 90 C2/c
atom      x      y      z Biso
Ca        0 .30118    .25  .66
Fe        0 .90829    .25  .44
Si   .28800 .09319 .23190  .43
O1   .12013 .09058 .15349  .58
O2   .36220 .24791 .32470  .88
O3   .35093 .02114 .98950  .63
Download AMC data (View Text File)
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 2.8 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001864
9.772 8.931 5.200 90 104.34 90 C2/c
atom      x      y      z Biso
Ca        0 .30114    .25  .55
Fe        0 .90831    .25  .45
Si   .28797 .09255 .23180  .43
O1   .12006 .09073 .15283  .65
O2   .36200 .24830 .32479  .84
O3   .35139 .02186 .98851  .55
Download AMC data (View Text File)
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 3.6 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001865
9.756 8.906 5.189 90 104.25 90 C2/c
atom      x      y      z Biso
Ca        0 .30210    .25  .56
Fe        0 .90860    .25  .45
Si   .28768 .09394 .23127  .41
O1   .11987 .09107 .15330  .69
O2   .36200 .24843 .32509  .91
O3   .35217 .02278 .98826  .60
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 4.2 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001866
9.744 8.889 5.181 90 104.18 90 C2/c
atom      x      y      z Biso
Ca        0 .30236    .25  .55
Fe        0 .90902    .25  .40
Si   .28770 .09362 .23116  .42
O1   .12010 .09112 .15252  .65
O2   .36106 .24851 .32682  .70
O3   .35240 .02332 .98737  .68
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 4.6 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001867
9.737 8.877 5.176 90 104.14 90 C2/c
atom      x      y      z Biso
Ca        0 .30279    .25  .53
Fe        0 .90918    .25  .38
Si   .28780 .09364 .23083  .42
O1   .12064 .09106 .15289  .59
O2   .36107 .24928 .32680  .72
O3   .35193 .02338 .98716  .65
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 5.3 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001868
9.724 8.856 5.168 90 104.14 90 C2/c
atom      x      y      z Biso
Ca        0 .30307    .25  .50
Fe        0 .90937    .25  .39
Si   .28772 .09392 .23071  .37
O1   .12070 .09143 .15140  .64
O2   .36140 .25005 .32681  .71
O3   .35300 .02373 .98570  .59
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 6.3 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001869
9.707 8.827 5.156 90 103.99 90 C2/c
atom      x       y      z Biso
Ca        0  .30336    .25  .55
Fe        0  .90972    .25  .41
Si   .28756 .094256 .23086  .44
O1   .11943  .09205 .15201  .58
O2   .36140  .25068 .32834  .82
O3   .35246  .02412 .98553  .67
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 7.6 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001870
9.686 8.789 5.141 90 103.89 90 C2/c
atom      x      y      z Biso
Ca        0 .30423    .25  .50
Fe        0 .90987    .25  .39
Si   .28779 .09454 .23074  .38
O1   .11919 .09226 .15276  .63
O2   .36074 .25155 .32893  .78
O3   .35303 .02516 .98511  .63
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 8.7 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001871
9.668 8.756 5.128 90 103.82 90 C2/c
atom      x      y      z Biso
Ca        0 .30447    .25  .52
Fe        0 .91001    .25  .41
Si   .28793 .09474 .23087  .39
O1   .12003 .09248 .15227  .62
O2   .35991 .25203 .32914  .77
O3   .35338 .02592 .98464  .63
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Hedenbergite
Download hom/hedenbergite.pdf
Zhang L, Ahsbahs H, Hafner S S, Kutoglu A
Download am/vol82/AM82_245.pdf
American Mineralogist 82 (1997) 245-258
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa
Sample: at P = 9.9 GPa
Note: cell parameters obtained by linear regression
_database_code_amcsd 0001872
9.647 8.718 5.114 90 103.74 90 C2/c
atom      x      y      z Biso
Ca        0 .30506    .25  .53
Fe        0 .91031    .25  .42
Si   .28757 .09506 .23088  .39
O1   .11954 .09289 .15248  .61
O2   .35991 .25226 .33002  .74
O3   .35335 .02593 .98444  .62
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Hedenbergite
Download hom/hedenbergite.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Hd21, T = 298 K
_database_code_amcsd 0004193
9.8450 9.0293 5.2450 90 104.775 90 C2/c
atom     x     y     z  Uiso
Ca2      0 .3003   .25 .0072
Fe1      0 .9075   .25 .0046
Si   .2878 .0924 .2325 .0036
O1   .1196 .0901 .1523 .0055
O2   .3628 .2464 .3232 .0075
O3   .3501 .0197 .9926 .0061
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Hedenbergite
Download hom/hedenbergite.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Hd21, T = 200 K
_database_code_amcsd 0004194
9.8395 9.0177 5.2425 90 104.724 90 C2/c
atom     x     y      z  Uiso
Ca2      0 .3008    .25 .0054
Fe1      0 .9079    .25 .0035
Si   .2878 .0927  .2322 .0028
O1   .1194 .0907  .1528 .0051
O2   .3629 .2465  .3237 .0062
O3   .3503 .0202 -.0078 .0051
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Hedenbergite
Download hom/hedenbergite.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Hd21, T = 100K
_database_code_amcsd 0004195
9.8357 9.0078 5.2408 90 104.664 90 C2/c
atom     x     y     z  Uiso
Ca2      0 .3012   .25 .0036
Fe1      0 .9082   .25 .0025
Si   .2879 .0928 .2321 .0022
O1   .1195 .0909 .1523 .0038
O2   .3631 .2467 .3241 .0047
O3   .3504 .0206 .9912 .0037
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Hedenbergite
Download hom/hedenbergite.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae051, T = 298 K
_database_code_amcsd 0004196
9.8354 9.0108 5.2560 90 105.088 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3003   .25 .949 .0100
Na2       0 .3003   .25 .051 .0100
Fe2+1     0 .9069   .25 .949 .0067
Fe3+1     0 .9069   .25 .051 .0067
Si    .2879 .0923 .2326      .0044
O1    .1189 .0893 .1502      .0077
O2    .3624 .2473 .3226      .0098
O3    .3502 .0190 .9946      .0082
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Hedenbergite
Download hom/hedenbergite.pdf
Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Hd102m, T = 298 K
_database_code_amcsd 0004197
9.8248 8.9973 5.2549 90 105.013 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3006   .25 .904 .0086
Na2       0 .3006   .25 .096 .0086
Fe2+1     0 .9064   .25 .904 .0054
Fe3+1     0 .9064   .25 .096 .0054
Si    .2878 .0922 .2328      .0040
O1    .1189 .0888 .1503      .0076
O2    .3619 .2476 .3214      .0088
O3    .3505 .0183 .9954      .0075
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae151, T = 298 K
_database_code_amcsd 0004198
9.8067 8.9852 5.2886 90 105.356 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3016   .25 .850 .0101
Na2       0 .3016   .25 .150 .0101
Fe2+1     0 .9055   .25 .850 .0067
Fe3+1     0 .9055   .25 .150 .0067
Si    .2880 .0923 .2323      .0039
O1    .1179 .0873 .1477      .0089
O2    .3614 .2493 .3201      .0107
O3    .3506 .0172 .9963      .0093
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae201, T = 298 K
_database_code_amcsd 0004199
9.7929 8.9656 5.2696 90 105.496 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3011   .25 .758 .0114
Na2       0 .3011   .25 .242 .0114
Fe2+1     0 .9049   .25 .758 .0073
Fe3+1     0 .9049   .25 .242 .0073
Si    .2881 .0920 .2327      .0049
O1    .1172 .0865 .1476      .0105
O2    .3612 .2498 .3184      .0117
O3    .3508 .0167 .9987      .0099
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae251, T = 298 K
_database_code_amcsd 0004200
9.7938 8.9685 5.2632 90 105.520 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3013   .25 .742 .0093
Na2       0 .3013   .25 .258 .0093
Fe2+1     0 .9049   .25 .742 .0054
Fe3+1     0 .9049   .25 .258 .0054
Si    .2881 .0918 .2328      .0031
O1    .1174 .0865 .1476      .0078
O2    .3608 .2496 .3177      .0090
O3    .3505 .0165 .9987      .0078
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae401, T = 298 K
_database_code_amcsd 0004201
9.7560 8.9252 5.2739 90 106.031 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3007   .25 .615 .0103
Na2       0 .3007   .25 .385 .0103
Fe2+1     0 .9037   .25 .615 .0056
Fe3+1     0 .9037   .25 .385 .0056
Si    .2885 .0914 .2335      .0035
O1    .1166 .0845 .1459      .0081
O2    .3603 .2507 .3151      .0094
O3    .3510 .0153 .0012      .0074
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae451, T = 298 K
_database_code_amcsd 0004202
9.7428 8.9091 5.2750 90 106.126 90 C2/c
atom      x     y     z occ  Uiso
Ca2       0 .3013   .25 .55 .0106
Na2       0 .3013   .25 .45 .0106
Fe2+1     0 .9028   .25 .55 .0064
Fe3+1     0 .9028   .25 .45 .0064
Si    .2887 .0915 .2335     .0040
O1    .1162 .0832 .1437     .0103
O2    .3594 .2513 .3112     .0102
O3    .3508 .0133 .0031     .0081
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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: Ae503
_database_code_amcsd 0004203
9.7412 8.9086 5.2776 90 106.221 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3007   .25 .506 .0121
Na2       0 .3007   .25 .494 .0121
Fe2+1     0 .9025   .25 .506 .0061
Fe3+1     0 .9025   .25 .494 .0061
Si    .2887 .0910 .2336      .0043
O1    .1163 .0829 .1444      .0088
O2    .3595 .2518 .3126      .0096
O3    .3511 .0138 .0036      .0086
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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, T = 200 K
_database_code_amcsd 0004205
9.7361 8.9020 5.2733 90 106.099 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3011   .25 .503 .0074
Na2       0 .3011   .25 .497 .0074
Fe2+1     0 .9028   .25 .503 .0038
Fe3+1     0 .9028   .25 .497 .0038
Si    .2888 .0911 .2338      .0024
O1    .1158 .0831 .1441      .0068
O2    .3597 .2522 .3133      .0072
O3    .3511 .0144 .0033      .0061
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Hedenbergite
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Redhammer G J, Amthauer G, Roth G, Tippelt G, Lottermoser W
Download am/vol91/AM91_1271.pdf
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, T = 90 K
_database_code_amcsd 0004206
9.7266 8.8959 5.2691 90 106.067 90 C2/c
atom      x     y     z  occ  Uiso
Ca2       0 .3013   .25 .501 .0055
Na2       0 .3013   .25 .499 .0055
Fe2+1     0 .9031   .25 .501 .0030
Fe3+1     0 .9031   .25 .499 .0030
Si    .2889 .0912 .2340      .0020
O1    .1158 .0836 .1445      .0058
O2    .3598 .2525 .3139      .0057
O3    .3512 .0147 .0026      .0045
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Hedenbergite
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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: Jd24Hde76
_database_code_amcsd 0004450
9.7340 8.9103 5.2682 90 105.904 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 .30061    .25 .24 .0114  .0137  .0090  .0092      0 -.0005      0
CaM2        0 .30061    .25 .76 .0114  .0137  .0090  .0092      0 -.0005      0
AlM1        0 .90603    .25 .24 .0075  .0074  .0073  .0071      0  .0009      0
Fe2+M1      0 .90603    .25 .76 .0075  .0074  .0073  .0071      0  .0009      0
SiT    .28782 .09199  .2317     .0069  .0064  .0082  .0060  .0002  .0017 -.0006
O1      .1165  .0853  .1451     .0142  .0095  .0203  .0129  .0016  .0031 -.0028
O2      .3609  .2510  .3166     .0136  .0201  .0091  .0112 -.0007  .0035 -.0006
O3      .3510  .0160 -.0016     .0099  .0094  .0128  .0076  .0002  .0026 -.0027
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Hedenbergite
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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: Jd0Hd100
_database_code_amcsd 0004451
9.8447 9.0234 5.2509 90 104.862 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)
CaM2        0 .30034    .25 .99 .00873  .0104  .0073  .0073      0  .0001      0
FeM2'       0   .242    .25 .01  .0065
Fe2+M1      0 .90741    .25     .00635  .0067  .0058  .0063      0  .0011      0
SiT    .28786 .09244 .23259      .0050  .0050  .0052  .0048 -.0002  .0012 -.0004
O1      .1194  .0901  .1519      .0074  .0056  .0093  .0072  .0001  .0016  .0000
O2      .3630  .2465  .3237      .0097  .0122  .0068  .0096  .0029  .0019 -.0010
O3      .3502  .0198 -.0066      .0079  .0067  .0100  .0070 -.0001  .0017 -.0024
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Hedenbergite
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Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T
Download am/vol93/AM93_1005.pdf
American Mineralogist 93 (2008) 1005-1013
The effect of the hedenbergitic substitution on the compressibility
of jadeite
Locality: Synthetic
Sample: Jd24Hd76, P = 3.87 GPa
_database_code_amcsd 0004606
9.6410 8.7920 5.2122 90 105.391 90 C2/c
atom         x     y     z occ  Uiso
NaM2         0 .3019   .25 .24  .012
CaM2         0 .3019   .25 .76  .012
AlM1         0 .9056   .25 .24 .0061
Fe2+M1       0 .9056   .25 .76 .0061
SiT      .2885 .0927 .2317      .010
O1       .1167  .086 .1482      .014
O2       .3602 .2539  .320      .019
O3       .3540 .0200 .9946      .008
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Hedenbergite
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Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T
Download am/vol93/AM93_1005.pdf
American Mineralogist 93 (2008) 1005-1013
The effect of the hedenbergitic substitution on the compressibility
of jadeite
Locality: Synthetic
Sample: Jd24Hd76, P = 8.76 GPa
_database_code_amcsd 0004607
9.5525 8.6648 5.1550 90 104.972 90 C2/c
atom         x     y     z occ Uiso
NaM2         0  .305   .25 .24 .012
CaM2         0  .305   .25 .76 .012
AlM1         0  .908   .25 .24 .007
Fe2+M1       0  .908   .25 .76 .007
SiT      .2883 .0946 .2309     .012
O1       .1155  .089  .146     .014
O2        .359 .2583  .323     .021
O3       .3550  .023  .989     .011
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Hedenbergite
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Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd50Fs50
Locality: synthetic
_database_code_amcsd 0019861
9.793 9.078 5.238 90 106.27 90 C2/c
atom       x      y      z occ   Uiso
FeM1       0 .90516    .25     .00920
FeM2       0  .2976    .25 .50  .0125
CaM2'      0  .2630    .25 .50  .0125
SiT   .29328 .08959 .24272     .00871
O1    .12169 .08959  .1535      .0103
O2'    .3606  .2463   .320  .5  .0106
O2''   .3806  .2372   .373  .5  .0106
O3'    .3520  .0136  .0042  .5  .0082
O3''   .3511  .0394 -.0115  .5  .0082
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Hedenbergite
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Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd60Fs40
Locality: synthetic
_database_code_amcsd 0019862
9.806 9.068 5.238 90 105.92 90 C2/c
atom       x      y      z occ  Uiso
FeM1       0 .90567    .25     .0100
FeM2       0  .3000    .25 .40 .0118
CaM2'      0  .2632    .25 .60 .0118
SiT   .29196 .09056 .23993     .0094
O1     .1215  .0898  .1534     .0107
O2'     .361   .252   .323  .6 .0092
O2''    .380   .229   .367  .4 .0092
O3'    .3492 .03938 -.0142  .6 .0085
O3''   .3522  .0149  .0015  .4 .0085
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Hedenbergite
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Abdu Y A, Hawthorne F C
 
American Mineralogist 98 (2013) 1227-1234
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
Note split-M2-O2-O3 model
Sample: Hd70Fs30
Locality: synthetic
_database_code_amcsd 0019863
9.819 9.056 5.242 90 105.61 90 C2/c
atom       x      y      z occ   Uiso
FeM1       0 .90619    .25     .00886
FeM2       0  .2998    .25 .30  .0103
CaM2'      0  .2627    .25 .70  .0103
SiT   .29077 .09098 .23797     .00819
O1    .12074 .08997  .1530      .0096
O2'    .3614  .2468  .3202  .7  .0099
O2''   .3808  .2370  .3745  .3  .0099
O3'     .362   .019   .011  .7  .0103
O3''   .3463  .0246  -.011  .3  .0103
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Hedenbergite
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Dal Negro A, Manoli S, Secco L, Piccirillo E M
 
European Journal of Mineralogy 1 (1989) 105-121
Megacrystic clinopyroxenes from Victoria (Australia):
Crystal chemical comparisons of pyroxenes from high and low pressure regimes
Sample: Fr-5
Locality: Victoria, Australia
_database_code_amcsd 0006345
9.696 8.839 5.276 90 106.64 90 C2/c
atom     x     y      z  occ Biso
CaM2     0 .2977    .25 .637 1.14
NaM2     0 .2977    .25 .139 1.14
FeM2     0 .2977    .25 .138 1.14
MgM2     0 .2977    .25 .082 1.14
MnM2     0 .2977    .25 .004 1.14
AlM1     0 .9056    .25 .191  .51
FeM1     0 .9056    .25  130  .51
MgM1     0 .9056    .25 .640  .51
TiM1     0 .9056    .25 .035  .51
CrM1     0 .9056    .25 .004  .51
SiT  .2889 .0926  .2320 .889  .65
AlT  .2889 .0926  .2320 .111  .65
O1   .1140 .0854  .1388       .86
O2   .3634 .2537  .3216      1.20
O3   .3523 .0178 -.0012       .93
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Hedenbergite
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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: hd/6
_database_code_amcsd 0006815
9.8475 9.0277 5.2495 90 104.805 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .3004   .25 .06  .36
CaM2     0 .3004   .25 .94  .36
FeM1     0 .9073   .25      .47
SiT  .2869 .0931 .2319      .28
O1   .1230 .0916 .1529      .86
O2   .3644 .2457 .3228     1.08
O3   .3463 .0210 .0020     1.17
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Hedenbergite
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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: hd/10
_database_code_amcsd 0006816
9.8472 9.0288 5.2466 90 104.789 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .3011   .25 .10 1.05
CaM2     0 .3011   .25 .90 1.05
FeM1     0 .9072   .25     1.09
SiT  .2870 .0917 .2318      .68
O1   .1237 .0896 .1492     1.26
O2   .3666 .2434 .3234     1.41
O3   .3452 .0196 .9961     1.58
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Hedenbergite
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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: ae25/20
_database_code_amcsd 0006817
9.7951 8.9698 5.2634 90 105.523 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2977   .25 .25  .66
CaM2     0 .2977   .25 .75  .66
FeM1     0 .9042   .25      .44
SiT  .2906 .0896 .2395      .39
O1   .1162 .0937 .1580      .58
O2   .3624 .2491 .3109      .77
O3   .3423 .0192 .9940      .65
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Hedenbergite
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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: ae40/20
_database_code_amcsd 0006818
9.7598 8.9277 5.2748 90 106.041 90 C2/c
atom     x     y     z occ Biso
NaM2     0 .2984   .25 .40  .49
CaM2     0 .2984   .25 .60  .49
FeM1     0 .9017   .25      .47
SiT  .2883 .0885 .2350      .03
O1   .1194 .0856 .1480     1.02
O2   .3586 .2483 .3197      .92
O3   .3525 .0134 .0018      .15
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Hedenbergite
Download hom/hedenbergite.pdf
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
_database_code_amcsd 0006819
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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Hedenbergite
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd10hk1a
_database_code_amcsd 0008998
9.8672 9.0469 5.2584 90 104.794 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30034    .25 .01223 .01026 .00927       0 .00011       0
FeM1      0 .90742    .25 .00847 .00832 .00774       0 .00122       0
Si   .28782 .09250 .23271 .00685 .00779 .00650 -.00032 .00137 -.00033
O1   .11941 .09020 .15227 .00705 .01168 .00877  .00003 .00115  .00003
O2   .36288 .24625 .32396 .01347 .00860 .01159 -.00281 .00259 -.00104
O3   .35027 .01981 .99298 .00967 .01276 .00794 -.00055 .00247 -.00260
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Hedenbergite
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd8b41a
_database_code_amcsd 0008999
9.8605 9.0304 5.2690 90 105.138 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30041    .25        .01256 .00984 .00939       0 .00040       0
ZnM1      0 .90678    .25 .21074 .00829 .00837 .00765       0 .00148       0
FeM1      0 .90678    .25 .78926 .00829 .00837 .00765       0 .00148       0
Si   .28740 .09254 .23154        .00657 .00760 .00657 -.00015 .00162 -.00036
O1   .11852 .08959 .14970        .00735 .01107 .00897  .00040 .00174  .00039
O2   .36186 .24688 .32321        .01315 .00954 .01101 -.00279 .00283 -.00104
O3   .35024 .01947 .99333        .00877 .01272 .00868 -.00057 .00221 -.00315
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Hedenbergite
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd7gb21
_database_code_amcsd 0009000
9.8502 9.0294 5.2584 90 105.052 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30011    .25        .01081 .00853 .00734       0 .00030       0
ZnM1      0 .90676    .25 .16518 .00639 .00583 .00560       0 .00091       0
FeM1      0 .90676    .25 .83482 .00639 .00583 .00560       0 .00091       0
Si   .28753 .09231 .23216        .00491 .00557 .00458 -.00008 .00112 -.00025
O1   .11884 .08931 .15016        .00525 .00945 .00728  .00004 .00105 -.00025
O2   .36196 .24713 .32272        .01248 .00605 .00941 -.00279 .00220 -.00102
O3   .34997 .01949 .99382        .00723 .01045 .00649 -.00076 .00271 -.00356
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Hedenbergite
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd4gb31
_database_code_amcsd 0009001
9.8447 9.0175 5.2614 90 105.342 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30028    .25        .01205 .00861 .00856       0 .00059       0
ZnM1      0 .90626    .25 .49610 .00813 .00739 .00706       0 .00185       0
FeM1      0 .90626    .25 .50380 .00813 .00739 .00706       0 .00185       0
Si   .28698 .09254 .23096        .00656 .00648 .00619  .00009 .00202 -.00020
O1   .11790 .08924 .14787        .00669 .00933 .00838 -.00003 .00173  .00045
O2   .36135 .24721 .32224        .01223 .00699 .01064 -.00297 .00273 -.00072
O3   .35023 .01935 .99344        .00865 .01046 .00805 -.00060 .00340 -.00263
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Hedenbergite
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Heuer M, Huber A L, Bromiley G D, Fehr K T, Bente K
 
Physics and Chemistry of Minerals 32 (2005) 552-563
Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6)
solid solution series by X-ray single crystal diffraction
Sample: hd3gb31
_database_code_amcsd 0009002
9.8369 9.0043 5.2605 90 105.435 90 C2/c
atom      x      y      z    occ U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
CaM2      0 .30010    .25        .01122 .00797 .00753       0 .00041       0
ZnM1      0 .90608    .25 .58678 .00730 .00733 .00576       0 .00151       0
FeM1      0 .90608    .25 .41322 .00730 .00733 .00576       0 .00151       0
Si   .28691 .09250 .23055        .00538 .00571 .00495  .00023 .00159  .00012
O1   .11724 .08901 .14690        .00572 .00965 .00709  .00013 .00170  .00054
O2   .36128 .24775 .32200        .01158 .00780 .00866 -.00230 .00245 -.00102
O3   .35015 .01897 .99320        .00789 .01024 .00663 -.00008 .00306 -.00253
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