American Mineralogist Crystal Structure Database

73 matching records for this search.

Peprossiite-(Ce)
Download hom/peprossiitece.pdf
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
Download am/vol85/AM85_586.pdf
American Mineralogist 85 (2000) 586-593
The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate
with square-pyramidal coordination for Al
Sample: Pep1
_database_code_amcsd 0002424
4.612 4.612 9.374 90 90 120 P-62m
atom     x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
PrM2     0      0     0 .818  .0122  .0122  .0083  .0061      0      0
CaM2     0      0     0 .102  .0122  .0122  .0083  .0061      0      0
AlM1 .3889      0    .5  2/3  .0046  .0048  .0060  .0024      0      0
BT     1/3    2/3 .2202 .967  .0078  .0078  .0059  .0039      0      0
SiT    1/3    2/3 .2202 .033  .0078  .0078  .0059  .0039      0      0
O1     1/3    2/3 .3754       .0092  .0092  .0054  .0046      0      0
O2   .4215      0 .1612       .0131  .0072  .0087  .0036 -.0030      0
O3       0      0    .5  2/3  .0046  .0046  .0086  .0023      0      0
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Peprossiite-(Ce)
Download hom/peprossiitece.pdf
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
Download am/vol85/AM85_586.pdf
American Mineralogist 85 (2000) 586-593
The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like
borate with square-pyramidal coordination for Al
Sample: Pep2
_database_code_amcsd 0002425
4.596 4.596 9.309 90 90 120 P-62m
atom     x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
LaM2     0      0     0 .785  .0084  .0084  .0086  .0042      0      0
ThM2     0      0     0 .215  .0084  .0084  .0086  .0042      0      0
AlM1 .3889      0    .5  2/3  .0056  .0044  .0096  .0022      0      0
BT     1/3    2/3 .2196       .0052  .0052  .0082  .0026      0      0
O1     1/3    2/3 .3744       .0090  .0090  .0078  .0045      0      0
O2   .4180      0 .1592       .0101  .0034  .0149  .0017 -.0020      0
O3       0      0    .5  2/3  .0030  .0030  .0141  .0015      0      0
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Vicanite-(Ce)
 
Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L
Download am/vol87/AM87_1139.pdf
American Mineralogist 87 (2002) 1139-1143
The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
(Si3B3O18) polyanion
_database_code_amcsd 0002883
10.8112 10.8112 27.3296 90 90 120 R3m
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CeM1 -.13188  .13188 -.31881 .751 .0096  .0092  .0092  .0087  .0033  .0007 -.0007
CaM1 -.13188  .13188 -.31881 .249 .0096  .0092  .0092  .0087  .0033  .0007 -.0007
LaM2 -.13794  .13794  .09655 .738 .0121  .0135  .0135  .0097  .0069 -.0008  .0008
CaM2 -.13794  .13794  .09655 .262 .0121  .0135  .0135  .0097  .0069 -.0008  .0008
CaM3  .11490 -.11490 -.09790 .992 .0149  .0158  .0158  .0156  .0097  .0018 -.0018
CeM3  .11490 -.11490 -.09790 .008 .0149  .0158  .0158  .0156  .0097  .0018 -.0018
CaM4  .13025 -.13025  .46683 .983 .0151  .0132  .0132  .0111  .0008  .0020 -.0020
CeM4  .13025 -.13025  .46683 .017 .0151  .0132  .0132  .0111  .0008  .0020 -.0020
ThM5  .14125 -.14125  .21736 .816 .0088  .0082  .0082  .0088  .0033 -.0002  .0002
CaM5  .14125 -.14125  .21736 .184 .0088  .0082  .0082  .0088  .0033 -.0002  .0002
Fe         0       0       0 .823 .0064  .0070  .0070  .0051  .0035      0      0
Al         0       0       0 .177 .0064  .0070  .0070  .0051  .0035      0      0
Si1    .1692  -.1692   .0431      .0087  .0091  .0091  .0091  .0055 -.0001  .0001
Si2   -.1701   .1701  -.0404      .0084  .0083  .0083  .0089  .0043  .0001 -.0001
B1    -.0780   .0780   .2926      .0098  .0111  .0111  .0076  .0058 -.0006  .0006
B2         0       0   .1467      .0156  .0143  .0143  .0182  .0072      0      0
As1        0       0  -.2107 .773 .0088  .0092  .0092  .0078  .0046      0      0
P1         0       0  -.2107 .227 .0088  .0092  .0092  .0078  .0046      0      0
As2        0       0  -.4576 .417 .0074  .0078  .0078  .0067  .0039      0      0
Na         0       0  -.4264 .583 .0238  .0311  .0311  .0091  .0156      0      0
O1     .0821  -.0821   .0452      .0111  .0116  .0116  .0135  .0082  .0002 -.0002
O2     .1867  -.1867  -.0149      .0120  .0164  .0164  .0089  .0124  .0013 -.0013
O3     .3233  -.0680   .0694      .0132  .0122  .0137  .0132  .0060 -.0033 -.0017
O4    -.0837   .0837  -.0490      .0120  .0110  .0110  .0157  .0069 -.0001  .0001
O5    -.1926   .1926   .0170      .0124  .0144  .0144  .0095  .0080 -.0003  .0003
O6    -.3277   .0783  -.0643      .0151  .0108  .0145  .0142  .0020 -.0033 -.0010
O7     .0761  -.0761   .3045      .0089  .0081  .0081  .0114  .0049 -.0003  .0003
O8    -.0951   .0951   .2389      .0096  .0122  .0122  .0078  .0087 -.0009  .0009
O9     .0728  -.0728   .1443      .0135  .0152  .0152  .0133  .0099 -.0005  .0005
O10        0       0  -.1491      .0161  .0153  .0153  .0175  .0077      0      0
O11    .1605   .0460  -.2332   .5 .0191  .0125  .0289  .0147  .0094 -.0006 -.0008
O12   -.0812   .0812  -.4922 .417 .0185  .0156  .0156  .0239  .0074  .0001 -.0001
F12   -.0812   .0812  -.4922 .583 .0185  .0156  .0156  .0239  .0074  .0001 -.0001
F13        0       0  -.3366      .0258  .0174  .0174  .0425  .0087      0      0
F14    .0212   .3058  -.1612      .0200  .0165  .0197  .0235  .0088 -.0072 -.0017
Wat        0       0    .435  .21 .0200
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View JMOL 3-D Structure (permalink)
 
Okanoganite-(Y)
Download hom/okanoganitey.pdf
Boiocchi M, Callegari A, Ottolini L, Maras A
Download am/vol89/AM89_1540.pdf
American Mineralogist 89 (2004) 1540-1545
The chemistry and crystal structure of okanoganite-(Y) and
comparison with vicanite-(Ce)
Sample: Golden Horn batholith near Washington Pass, Okanogan County
_database_code_amcsd 0003650
10.7108 10.7108 27.0398 90 90 120 R3m
atom      x      y      z occ  Uiso
Ce1  -.1304  .1304 -.3183 .72 .0102
Y1   -.1304  .1304 -.3183 .28 .0102
Ce2  -.1362  .1362  .1005 .75 .0124
Y2   -.1362  .1362  .1005 .25 .0124
Ca3   .1157 -.1157 -.0988 .59 .0184
Y3    .1157 -.1157 -.0988 .41 .0184
Y4    .1214 -.1214  .4681 .71 .0124
Ca4   .1214 -.1214  .4681 .29 .0124
Y5    .1379 -.1379  .2201 .87 .0112
Th5   .1379 -.1379  .2201 .13 .0112
Fe        0      0      0 .77 .0152
Ti        0      0      0 .23 .0152
Si1   .1694 -.1694  .0442     .0131
Si2  -.1707  .1707 -.0402     .0106
B1   -.0791  .0791  .2921     .0208
P3        0      0 -.2123  .6 .0151
Si3       0      0 -.2123  .4 .0151
Na        0      0 -.4242     .0267
O1    .0816 -.0816  .0469     .0169
O2    .1867 -.1867 -.0141     .0172
O3    .3257 -.0667  .0708     .0152
O4   -.0835  .0835 -.0495     .0171
O5   -.1909  .1909  .0188     .0143
O6   -.3312  .0791 -.0626     .0229
O7    .0770 -.0770  .3062     .0138
O8   -.0957  .0957  .2388     .0125
OH9   .0832 -.0832  .1453     .0202
O10       0      0 -.1518     .0254
O11   .1550  .0470 -.2330  .5 .0314
F12  -.0897  .0897 -.4885     .0208
F13       0      0 -.3390     .0199
F14   .0162  .3055 -.1607     .0280
OH        0      0  .4360     .0188
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Piergorite-(Ce)
 
Boiocchi M, Callegari A, Ottolini L
Download am/vol91/AM91_1170.pdf
American Mineralogist 91 (2006) 1170-1177
The crystal structure of piergorite-(Ce),
Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2:
A new borosilicate from Vetralla, Italy,
with a modified hellandite-type chain
Locality: Vetralla, Italy
_database_code_amcsd 0004179
28.097 4.777 10.236 90 96.81 90 P2/a
atom       x      y      z occ  Uiso
CaM3A  .1601 -.0088 -.1185 .98 .0080
CeM3A  .1601 -.0088 -.1185 .02 .0080
CaM3B  .1580 -.0067 -.4445 .99 .0085
CeM3B  .1580 -.0067 -.4445 .01 .0085
CaM4A  .1009  .0342  .2068 .99 .0089
CeM4A  .1009  .0342  .2068 .01 .0089
CaM4B  .2188  .0092  .2401 .95 .0071
CeM4B  .2188  .0092  .2401 .05 .0071
CeM2   .0271 -.0207 -.3248 .46 .0059
CaM2   .0271 -.0207 -.3248 .39 .0059
ThM2   .0271 -.0207 -.3248 .15 .0059
AlM1       0      0      0 .49 .0072
Fe3+M1     0      0      0 .35 .0072
TiM1       0      0      0 .16 .0072
BeT    .0242  .4590  .1671 .27 .0046
LiT    .0242  .4590  .1671 .15 .0046
Si1A   .0720 -.4999 -.0636     .0065
Si1B     .25 -.4967     .5     .0060
Si2A     .25  .4846      0     .0067
Si2B   .0668 -.4797  .4400     .0057
B1A    .2055  .4633 -.2688     .0127
B1B    .1090  .4683 -.3024     .0075
B2A    .1594 -.4597  .3516     .0041
B2B    .1610 -.4667  .0887     .0046
O1     .2052 -.3206  .0369     .0067
O2     .2307  .3055 -.1330     .0148
O3     .2041 -.3107  .4348     .0079
O4     .2310  .3149 -.3803     .0088
O5     .0289 -.2418  .4686     .0093
O6     .0832  .3313 -.4256     .0080
O7     .1159 -.3214  .4018     .0069
O8     .0464  .3115  .3220     .0144
O9     .0329 -.2605 -.1112     .0181
O10    .0846  .3239 -.1923     .0104
O11    .0537  .2708  .0361     .0172
O12    .1188 -.3308  .0040     .0080
O13    .1614  .2406  .0812     .0066
O14    .1601  .2481  .3618     .0062
O15    .1066 -.2380 -.2998     .0075
O16    .1594 -.3405  .2195     .0063
O17    .2099 -.2457 -.2658     .0072
O18    .1575  .3437 -.2852     .0068
OH19   .0241 -.1944  .1615 .88 .0095
F19    .0241 -.1944  .1615 .12 .0095
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View JMOL 3-D Structure (permalink)
 
Ambrinoite
 
Biagioni C, Bonaccorsi E, Pasero M, Moelo Y, Ciriotti M E, Bersani D,
Callegari A M, Boiocchi M
 
American Mineralogist 96 (2011) 878-887
Ambrinoite, (K,NH4)2(As,Sb)8S13*H2O, a new mineral from Upper Susa Valley,
Piedmont, Italy: The first natural (K,NH4)-hydrated sulfosalt
Locality: Upper Susa Valley, Piedmont, Italy
_database_code_amcsd 0019096
9.704 11.579 12.102 112.82 103.44 90.49 P-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1    .6680  .3331  .6791 .83  .065   .048   .058   .095   .003   .007   .044
N1    .6680  .3331  .6791 .17  .065   .048   .058   .095   .003   .007   .044
H1    .6680  .3331  .6791 .68  .065   .048   .058   .095   .003   .007   .044
K2    .9242  .7592  .4774 .78  .073   .088   .061   .075   .007   .044   .020
N2    .9242  .7592  .4774 .22  .073   .088   .061   .075   .007   .044   .020
H2    .9242  .7592  .4774 .88  .073   .088   .061   .075   .007   .044   .020
SbM1 .39230 .64339 .83575 .54 .0344  .0361  .0278  .0425  .0030  .0154  .0142
AsM1 .39230 .64339 .83575 .46 .0344  .0361  .0278  .0425  .0030  .0154  .0142
SbM2 .01055 .14677 .83795 .57 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM2 .01055 .14677 .83795 .43 .0369  .0341  .0298  .0500  .0023  .0109  .0192
AsM3 .66142 .98014 .71276     .0309  .0374  .0280  .0294  .0025  .0071  .0143
AsM4 .66440 .70477 .70910     .0302  .0369  .0269  .0280  .0012  .0062  .0135
AsM5 .24245 .92642 .96400 .92 .0354  .0396  .0292  .0350  .0018  .0088  .0108
SbM5 .24245 .92642 .96400 .08 .0354  .0396  .0292  .0350  .0018  .0088  .0108
AsM6 .00896 .64686 .82178 .80 .0358  .0327  .0285  .0451  .0024  .0087  .0143
SbM6 .00896 .64686 .82178 .20 .0358  .0327  .0285  .0451  .0024  .0087  .0143
AsM7 .38933 .14671 .82502 .75 .0362  .0357  .0302  .0476  .0060  .0153  .0180
SbM7 .38933 .14671 .82502 .25 .0362  .0357  .0302  .0476  .0060  .0153  .0180
AsM8 .23678 .42874 .94031     .0365  .0409  .0282  .0377  .0014  .0091  .0110
S1    .6161  .7814  .5576     .0323   .044   .027   .027   .001   .005   .014
S2    .3786  .3401  .8069     .0404   .047   .033   .054   .006   .023   .024
S3    .8204  .0599  .6437     .0321   .031   .035   .031  -.002   .006   .015
S4    .3974  .8510  .8382     .0371   .044   .031   .045   .004   .017   .021
S5    .4723  .5620  .6432     .0314   .037   .029   .028  -.002   .010   .010
S6    .0114  .3439  .8169     .0367   .036   .032   .045   .004   .005   .021
S7    .8220  .5719  .6362     .0323   .033   .029   .031   .004   .005   .010
S8    .4694  .0630  .6408     .0348   .038   .041   .030   .011   .010   .018
S9    .1611  .0573  .6991     .0368   .035   .030   .040   .002   .012   .010
S10   .1587  .5625  .6931     .0345   .033   .032   .035   .001   .009   .008
S11   .0192  .8485  .8258     .0392   .039   .030   .049   .003   .001   .021
S12   .2637  .2992  .0350     .0398   .040   .053   .031   .005   .007   .023
S13   .2578  .7763  .0381     .0348   .042   .033   .030   .004   .009   .014
Wat   .2172  .7496  .5286      .066   .087   .046   .050   .008  -.004   .014
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Coralloite
 
Callegari A M, Boiocchi M, Ciriotti M E, Balestra C
 
American Mineralogist 97 (2012) 727-734
Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate:
crystal structure and relationships with bermanite and whitmoreite mineral groups
Locality: Monte Nero mine, Rocchetta Vara, La Spezia, Liguria, Italy
_database_code_amcsd 0018861
5.5828 9.7660 5.5455 94.467 111.348 93.850 P1
atom        x     y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn3+M1      0     0      0 .0113  .0084  .0146  .0117  .0034  .0044  .0010
Mn3+M2  .5006 .0047  .4997 .0107  .0081  .0143  .0107  .0037  .0042  .0009
Mn2+M3  .1697 .5046  .3445 .0167  .0175  .0165  .0193  .0033  .0104  .0022
As1     .0643 .1933  .5121 .0109  .0100  .0126  .0120  .0029  .0061  .0014
As2    -.0661 .8037  .4850 .0121  .0100  .0138  .0141  .0029  .0064  .0012
O1     -.0734 .1508  .1866 .0114  .0133  .0119  .0084  .0078  .0026 -.0002
O2      .0608 .8431  .8124 .0160  .0128  .0242  .0141  .0066  .0077  .0031
O3     -.1079 .1081  .6569 .0166  .0138  .0223  .0147 -.0039  .0080  .0004
O4      .1118 .8912  .3496 .0146  .0100  .0172  .0190  .0004  .0080  .0039
O5      .3748 .1571  .6328 .0164  .0153  .0156  .0176  .0047  .0054 -.0012
O6      .6282 .8512  .3668 .0125  .0053  .0205  .0101  .0050  .0012 -.0031
O7      .0459 .3631  .5591 .0165  .0261  .0083  .0222  .0025  .0160  .0082
O8     -.0853 .6376  .4180 .0208  .0083  .0225  .0301  .0040  .0061 -.0030
OH1     .3683 .0667  .1556 .0123  .0078  .0207  .0099  .0015  .0058 -.0015
OH2     .6237 .9414 -.1536 .0130  .0077  .0188  .0136  .0032  .0042  .0058
Wat1    .4615 .3745  .2708 .0348  .0307  .0383  .0492  .0150  .0259  .0208
Wat2    .2816 .6416  .1007 .0187  .0170  .0204  .0179  .0029  .0053  .0028
Wat3   -.1225 .4105 -.0471 .0241  .0220  .0241  .0281  .0021  .0131 -.0048
Wat4    .4961 .6011  .7240 .0349  .0298  .0409  .0313 -.0036  .0103 -.0012
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 71-62R/1
Locality: Black Mountains, New Hampshire, USA
_database_code_amcsd 0005300
7.8628 16.6128 5.65004 90. 90.093 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23317      0 .96432            .0027  .0003  .0058      0  .0011      0
O2   .23451      0 .53428            .0029  .0003  .0056      0 -.0009      0
O3   .25543 .16175 .01485            .0015  .0004  .0034 -.0003  .0002 -.0001
O4   .25527 .16144 .48415            .0015  .0004  .0035  .0002 -.0001      0
O5   .00230 .08919 .24739            .0012  .0005  .0077      0      0 -.0001
O6   .02108 .24953 .25014            .0018  .0003  .0025      0  .0001  .0001
O7   .52791 .10009 .24957            .0015  .0003  .0029      0  .0001      0
Si1  .13425 .16631 .24921 .955        .001  .0002  .0024      0      0      0
Al1  .13425 .16631 .24921 .045        .001  .0002  .0024      0      0      0
Fe1  .39579      0 .24935  .58       .0048  .0004  .0136      0  .0003      0
Li1  .39579      0 .24935   .1       .0048  .0004  .0136      0  .0003      0
Al2  .39579      0 .24935  .08       .0048  .0004  .0136      0  .0003      0
Mg1  .39579      0 .24935  .04       .0048  .0004  .0136      0  .0003      0
Al3      .5 .17488      0 .985       .0015  .0004  .0027      0 -.0001      0
Fe2      .5 .17488      0 .015       .0015  .0004  .0027      0 -.0001      0
Al4      .5 .17447     .5 .985       .0017  .0004  .0026      0  .0002      0
Fe3      .5 .17447     .5 .015       .0017  .0004  .0026      0  .0002      0
Al5  .26458 .41003 .25092 .975       .0017  .0004  .0044  .0001      0      0
Fe4  .26458 .41003 .25092 .025       .0017  .0004  .0044  .0001      0      0
Al6       0      0      0  .53       .0017  .0004  .0036      0  .0011      0
Mg2       0      0      0 .012       .0017  .0004  .0036      0  .0011      0
Al7       0      0     .5  .35       .0017  .0004  .0025      0 -.0014      0
Mg3       0      0     .5 .008       .0017  .0004  .0025      0 -.0014      0
Fe5      .5      0      0  .14   .7
Fe6      .5      0     .5 .075  .68
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 71-62R/6
Locality: Black Mountains, New Hampshire, USA
_database_code_amcsd 0005301
7.8633 16.6118 5.6505 90 90.139 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23294      0 .96384            .0028  .0004  .0065      0  .0013      0
O2   .23517      0 .53406            .0035  .0004  .0063      0 -.0004      0
O3   .25552 .16185 .01478            .0017  .0004  .0037 -.0002  .0004 -.0001
O4   .25501 .16141 .48407            .0018  .0005  .0037  .0002      0      0
O5   .00210 .08915 .24599            .0015  .0005  .0087      0  .0001 -.0001
O6   .02107 .24952 .25030            .0021  .0004  .0034      0  .0001  .0002
O7   .52780 .10008 .24931            .0017  .0004  .0036      0  .0001      0
Si1  .13422 .16631 .24880  .96       .0013  .0003  .0032      0  .0001      0
Al1  .13422 .16631 .24880  .04       .0013  .0003  .0032      0  .0001      0
Fe1  .39579      0 .24935   .6       .0049  .0004  .0139      0  .0004      0
Li1  .39579      0 .24935   .1       .0049  .0004  .0139      0  .0004      0
Al2  .39579      0 .24935 .065       .0049  .0004  .0139      0  .0004      0
Mg1  .39579      0 .24935  .04       .0049  .0004  .0139      0  .0004      0
Al3      .5 .17490      0  .99       .0019  .0004  .0033      0  .0001      0
Fe3      .5 .17490      0  .01       .0019  .0004  .0033      0  .0001      0
Al4      .5 .17434     .5  .99       .0018  .0004  .0033      0  .0003      0
Fe4      .5 .17434     .5  .01       .0018  .0004  .0033      0  .0003      0
Al5  .26433 .41005 .25136  .98       .0019  .0004  .0047  .0001  .0001      0
Fe5  .26458 .41005 .25136  .02       .0019  .0004  .0047  .0001  .0001      0
Al6       0      0      0  .53       .0019  .0004  .0044      0  .0009      0
Fe6       0      0      0 .022       .0019  .0004  .0044      0  .0009      0
Al7       0      0     .5 .315       .0015  .0003  .0042      0 -.0009      0
Fe7       0      0     .5 .013       .0015  .0003  .0042      0 -.0009      0
Fe8      .5      0      0  .14 .737
Fe9      .5      0     .5  .06 .728
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 71-62R/5
Locality: Black Mountains, New Hampshire, USA
_database_code_amcsd 0005302
7.8647 16.6081 5.6511 90 90.226 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23197      0 .96278            .0028  .0004  .0061      0  .0013      0
O2   .23589      0 .53283            .0034  .0004  .0071      0 -.0001      0
O3   .25578 .16199 .01416            .0016  .0005  .0038 -.0002  .0002      0
O4   .25477 .16127 .48390            .0017  .0004  .0042  .0002  .0001 -.0001
O5   .00212 .08891 .24298            .0015  .0005  .0083      0      0 -.0001
O6   .02093 .24954 .25039            .0021  .0003  .0036  .0001      0  .0002
O7   .52750 .10007 .24900            .0017  .0004  .0043      0      0      0
Si1  .13433 .16625 .24788  .96       .0012  .0003  .0034      0      0      0
Al1  .13433 .16625 .24788  .04       .0012  .0003  .0034      0      0      0
Fe1  .39526      0 .24796  .61        .005  .0004  .0133      0  .0005      0
Li1  .39526      0 .24796   .1        .005  .0004  .0133      0  .0005      0
Al2  .39526      0 .24796  .05        .005  .0004  .0133      0  .0005      0
Mg1  .39526      0 .24796  .04        .005  .0004  .0133      0  .0005      0
Al3      .5 .17490      0  .98       .0018  .0004  .0037      0      0      0
Fe3      .5 .17490      0 .012       .0018  .0004  .0037      0      0      0
Mg2      .5 .17490      0 .008       .0018  .0004  .0037      0      0      0
Al4      .5 .17434     .5  .98       .0017  .0004  .0035      0  .0002      0
Fe4      .5 .17434     .5 .012       .0017  .0004  .0035      0  .0002      0
Mg3      .5 .17434     .5 .008       .0017  .0004  .0035      0  .0002      0
Al5  .26433 .41005 .25136  .99       .0017  .0004  .0048  .0001  .0001      0
Fe5  .26458 .41005 .25136  .01       .0017  .0004  .0048  .0001  .0001      0
Al6       0      0      0   .6       .0018  .0004  .0049      0   .001      0
Fe6       0      0      0  .03       .0018  .0004  .0049      0   .001      0
Al7       0      0     .5  .25       .0018  .0003  .0043      0 -.0013      0
Fe7       0      0     .5 .015       .0018  .0003  .0043      0 -.0013      0
Fe8      .5      0      0  .18 .705
Fe9      .5      0     .5  .03 .623
H1     .125      0   .445      2.54
H2     .125      0   .055  .04 2.54
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: EH-6/6
Locality: Emery Hill, New York, USA
_database_code_amcsd 0005303
7.8787 16.6243 5.6611 90 90.004 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23627      0 .96568              .004  .0003  .0076      0  .0011      0
O2   .23615      0 .53367             .0039  .0003  .0078      0 -.0014      0
O3   .25480 .16105 .01570             .0016  .0004  .0039 -.0001  .0002      0
O4   .25472 .16102 .48426             .0015  .0004  .0035  .0002 -.0001      0
O5   .00105 .08899 .25001             .0014  .0005  .0079      0      0 -.0001
O6   .02171 .24935 .24992             .0018  .0003  .0049      0 -.0001  .0001
O7   .52643 .09942 .25020             .0015  .0004  .0043  .0001  .0002  .0001
Si1  .13392 .16611 .25007 .965         .001  .0003  .0031      0  .0001      0
Al1  .13392 .16611 .25007 .035         .001  .0003  .0031      0  .0001      0
Fe1  .39051      0 .24982  .64        .0054  .0004  .0136      0      0      0
Zn1  .39051      0 .24982 .015        .0054  .0004  .0136      0      0      0
Al2  .39051      0 .24982  .05        .0054  .0004  .0136      0      0      0
Mg1  .39051      0 .24982 .235        .0054  .0004  .0136      0      0      0
Al3      .5 .17517      0  .93        .0018  .0004  .0033      0      0      0
Fe3      .5 .17517      0  .02        .0018  .0004  .0033      0      0      0
Mg2      .5 .17517      0  .05        .0018  .0004  .0033      0      0      0
Al4      .5 .17519     .5  .93        .0017  .0004  .0032      0  .0002      0
Fe4      .5 .17519     .5  .02        .0017  .0004  .0032      0  .0002      0
Mg3      .5 .17519     .5  .05        .0017  .0004  .0032      0  .0002      0
Al5  .26269 .41054 .25006 .975        .0016  .0004  .0053      0  .0001      0
Fe5  .26269 .41054 .25006 .025        .0016  .0004  .0053      0  .0001      0
Al6       0      0      0  .46        .0015  .0003  .0046      0  .0016      0
Mg6       0      0      0  .05        .0015  .0003  .0046      0  .0016      0
Al7       0      0     .5  .46        .0017  .0003  .0048      0 -.0012      0
Mg7       0      0     .5  .05        .0017  .0003  .0048      0 -.0012      0
Fe8      .5      0      0  .03 1.244
Fe9      .5      0     .5  .03 1.487
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: EH-6/4
Locality: Emery Hill, New York, USA
_database_code_amcsd 0005304
7.8831 16.6225 5.6602 90 90.012 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23598      0 .96551             .0041  .0004  .0073      0  .0014      0
O2   .23590      0 .53413              .004  .0003  .0075      0 -.0013      0
O3   .25479 .16108 .01552             .0018  .0004  .0032 -.0002  .0003      0
O4   .25461 .16104 .48435             .0018  .0004  .0035  .0002 -.0003      0
O5   .00106 .08904 .24973             .0015  .0005  .0083      0      0 -.0001
O6   .02182 .24937 .25017             .0019  .0003  .0043      0      0  .0002
O7   .52629 .09922 .25003             .0016  .0005   .004      0  .0001      0
Si1  .13395 .16615 .24998  .96        .0011  .0003   .003      0      0      0
Al1  .13395 .16615 .24998  .04        .0011  .0003   .003      0      0      0
Fe1  .39051      0 .24982 .695        .0053  .0004  .0129      0      0      0
Zn1  .39051      0 .24982 .015        .0053  .0004  .0129      0      0      0
Mg1  .39051      0 .24982 .225        .0053  .0004  .0129      0      0      0
Al3      .5 .17517      0 .935        .0016  .0004  .0026      0      0      0
Fe3      .5 .17517      0  .01        .0016  .0004  .0026      0      0      0
Mg2      .5 .17517      0 .055        .0016  .0004  .0026      0      0      0
Al4      .5 .17519     .5 .935        .0016  .0003  .0026      0  .0001      0
Fe4      .5 .17519     .5  .01        .0016  .0003  .0026      0  .0001      0
Mg3      .5 .17519     .5 .055        .0016  .0003  .0026      0  .0001      0
Al5  .26269 .41054 .25006  .97        .0014  .0004  .0047      0      0      0
Mg5  .26269 .41054 .25006  .02        .0014  .0004  .0047      0      0      0
Fe5  .26269 .41054 .25006  .01        .0014  .0004  .0047      0      0      0
Al6       0      0      0 .475        .0016  .0003  .0052      0  .0014      0
Mg6       0      0      0  .05        .0016  .0003  .0052      0  .0014      0
Al7       0      0     .5 .475        .0017  .0003  .0052      0 -.0015      0
Mg7       0      0     .5  .05        .0017  .0003  .0052      0 -.0015      0
Fe8      .5      0      0  .03 1.211
Fe9      .5      0     .5  .03 1.059
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: EH-6/2
Locality: Emery Hill, New York, USA
_database_code_amcsd 0005305
7.8810 16.6250 5.6610 90 90.056 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23553      0 .96472              .004  .0003  .0073      0  .0014      0
O2   .23645      0 .53412              .004  .0003  .0075      0 -.0012      0
O3   .25515 .16110 .01553             .0016  .0004  .0038 -.0002  .0003      0
O4   .25460 .16104 .48434             .0016  .0004  .0039  .0002 -.0001 -.0001
O5   .00106 .08909 .24833             .0016  .0005  .0083      0  .0001 -.0001
O6   .02201 .24932 .24952             .0019  .0003  .0044      0  .0001  .0001
O7   .52647 .09941 .24981             .0015  .0004  .0044  .0001  .0001 -.0001
Si1  .13399 .16612 .24945 .965         .001  .0002  .0032      0      0      0
Al1  .13399 .16612 .24946 .035         .001  .0002  .0032      0      0      0
Fe1  .39042      0 .24901 .645        .0053  .0004  .0135      0 -.0001      0
Al2  .39042      0 .24901  .02        .0053  .0004  .0135      0 -.0001      0
Zn1  .39042      0 .24901 .015        .0053  .0004  .0135      0 -.0001      0
Mg1  .39042      0 .24901  .24        .0053  .0004  .0135      0 -.0001      0
Al3      .5 .17518      0 .935        .0017  .0003  .0031      0      0      0
Fe3      .5 .17518      0 .015        .0017  .0003  .0031      0      0      0
Mg2      .5 .17518      0  .05        .0017  .0003  .0031      0      0      0
Al4      .5 .17523     .5 .935        .0017  .0004  .0032      0  .0001      0
Fe4      .5 .17523     .5 .015        .0017  .0004  .0032      0  .0001      0
Mg3      .5 .17523     .5  .05        .0017  .0004  .0032      0  .0001      0
Al5  .26259 .41050 .25065 .965        .0014  .0004  .0053      0  .0001      0
Mg5  .26259 .41050 .25065 .015        .0014  .0004  .0053      0  .0001      0
Fe5  .26259 .41050 .25065  .02        .0014  .0004  .0053      0  .0001      0
Al6       0      0      0 .495        .0016  .0003  .0057      0  .0016      0
Mg6       0      0      0 .055        .0016  .0003  .0057      0  .0016      0
Al7       0      0     .5 .425        .0018  .0003  .0059      0 -.0015      0
Mg7       0      0     .5 .045        .0018  .0003  .0059      0 -.0015      0
Fe8      .5      0      0  .03  .955
Fe9      .5      0     .5  .03 1.179
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 3-3/1
Locality: West Sidney, Maine, USA
_database_code_amcsd 0005306
7.8744 16.6253 5.6625 90 90.014 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23469      0 .96491            .0036  .0004  .0069      0  .0012      0
O2   .23498      0 .53482            .0039  .0004  .0072      0 -.0011      0
O3   .25508 .16121 .01526            .0016  .0004  .0037 -.0002      0 -.0001
O4   .25501 .16121 .48439            .0016  .0004  .0037  .0002 -.0001 -.0001
O5   .00128 .08881 .24949            .0014  .0005  .0088      0 -.0001 -.0001
O6   .02144 .24929 .24993            .0019  .0003  .0037      0      0  .0001
O7   .52681 .10019 .24997            .0014  .0004  .0038      0 -.0001      0
Si1  .13411 .16606 .24981  .96       .0011  .0003   .003      0      0      0
Al1  .13411 .16606 .24981  .04       .0011  .0003   .003      0      0      0
Fe1  .39110      0 .24963   .8       .0063  .0004  .0134      0      0      0
Al2  .39110      0 .24963  .02       .0063  .0004  .0134      0      0      0
Li1  .39110      0 .24963  .02       .0063  .0004  .0134      0      0      0
Mg1  .39110      0 .24963  .12       .0063  .0004  .0134      0      0      0
Al3      .5 .17529      0  .96       .0016  .0004  .0029      0      0      0
Fe3      .5 .17529      0 .015       .0016  .0004  .0029      0      0      0
Mg3      .5 .17529      0 .025       .0016  .0004  .0029      0      0      0
Al4      .5 .17527     .5  .96       .0016  .0004  .0029      0      0      0
Fe4      .5 .17527     .5 .015       .0016  .0004  .0029      0      0      0
Mg4      .5 .17527     .5 .025       .0016  .0004  .0029      0      0      0
Al5  .26276 .41056 .25023 .975       .0014  .0004  .0053      0  .0001      0
Mg5  .26276 .41056 .25023  .01       .0014  .0004  .0053      0  .0001      0
Fe5  .26276 .41056 .25023 .015       .0014  .0004  .0053      0  .0001      0
Al6       0      0      0 .515       .0015  .0004  .0044      0  .0015      0
Mg6       0      0      0 .025       .0015  .0004  .0044      0  .0015      0
Al7       0      0     .5  .48       .0015  .0003  .0043      0 -.0013      0
Mg7       0      0     .5  .02       .0015  .0003  .0043      0 -.0013      0
Fe8      .5      0      0 .025 .964
Fe9      .5      0     .5  .02 1.21
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 3-3/2
Locality: West Sidney, Maine, USA
_database_code_amcsd 0005307
7.8727 16.62669 5.6626 90 90.042 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23446      0 .96436            .0037  .0003  .0073      0  .0012      0
O2   .23526      0 .53464            .0035  .0003  .0068      0 -.0012      0
O3   .25525 .16125 .01532            .0017  .0004  .0035 -.0002  .0001      0
O4   .25496 .16127 .48431            .0017  .0004  .0037  .0002 -.0002      0
O5   .00138 .08884 .24870            .0014  .0004  .0086 -.0001 -.0002 -.0001
O6   .02132 .24922 .24989            .0019  .0003  .0037      0 -.0001  .0001
O7   .52673 .10026 .24989            .0016  .0004  .0034      0      0      0
Si1  .13406 .16605 .24960 .955       .0013  .0002  .0026      0 -.0001      0
Al1  .13406 .16605 .24960 .045       .0013  .0002  .0026      0 -.0001      0
Fe1  .39135      0 .24937   .8       .0063  .0004   .013      0 -.0001      0
Zn1  .39135      0 .24937  .01       .0063  .0004   .013      0 -.0001      0
Li1  .39135      0 .24937  .04       .0063  .0004   .013      0 -.0001      0
Mg1  .39135      0 .24937   .1       .0063  .0004   .013      0 -.0001      0
Al3      .5 .17526      0  .97       .0017  .0003  .0027      0      0      0
Fe3      .5 .17526      0  .01       .0017  .0003  .0027      0      0      0
Mg2      .5 .17526      0  .02       .0017  .0003  .0027      0      0      0
Al4      .5 .17525     .5  .97       .0017  .0003  .0026      0      0      0
Fe4      .5 .17525     .5  .01       .0017  .0003  .0026      0      0      0
Mg3      .5 .17525     .5  .02       .0017  .0003  .0026      0      0      0
Al5  .26285 .41052 .25047  .98       .0015  .0004  .0044      0      0      0
Mg5  .26285 .41052 .25047 .005       .0015  .0004  .0044      0      0      0
Fe5  .26285 .41052 .25047 .015       .0015  .0004  .0044      0      0      0
Al6       0      0      0 .535       .0015  .0003  .0045      0  .0013      0
Mg6       0      0      0 .025       .0015  .0003  .0045      0  .0013      0
Al7       0      0     .5  .47       .0014  .0003   .004      0 -.0016      0
Mg7       0      0     .5  .02       .0014  .0003   .004      0 -.0016      0
Fe8      .5      0      0 .025 .964
Fe9      .5      0     .5  .02 1.21
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 106038/1
Locality: Franklin, North Carolina, USA
_database_code_amcsd 0005308
7.8782 16.6056 5.6568 90 90.084 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23406      0 .96422             .0034  .0003  .0068      0  .0013      0
O2   .23537      0 .53376             .0036  .0003  .0069      0 -.0006      0
O3   .25530 .16132 .01504             .0015  .0004  .0035 -.0002  .0004 -.0001
O4   .25487 .16117 .48452             .0017  .0004  .0035  .0002      0      0
O5   .00133 .08878 .24796             .0014  .0005  .0083      0 -.0002 -.0001
O6   .02159 .24947 .24985             .0019  .0003  .0037      0  .0002  .0001
O7   .52663 .09935 .24951             .0013  .0004  .0039      0  .0003 -.0001
Si1  .13422 .16622 .24935 .935         .001  .0003  .0031      0  .0003      0
Al1  .13422 .16622 .24935 .065         .001  .0003  .0031      0  .0003      0
Fe1  .38970      0 .24871  .57        .0049  .0004   .013      0  .0002      0
Zn1  .38970      0 .24871  .16        .0049  .0004   .013      0  .0002      0
Al2  .38970      0 .24871  .04        .0049  .0004   .013      0  .0002      0
Mg1  .38970      0 .24871  .16        .0049  .0004   .013      0  .0002      0
Al3      .5 .17493      0 .965        .0013  .0003  .0025      0  .0002      0
Mg2      .5 .17493      0 .035        .0013  .0003  .0025      0  .0002      0
Al4      .5 .17494     .5 .965        .0014  .0003  .0028      0  .0004      0
Mg3      .5 .17494     .5 .035        .0014  .0003  .0028      0  .0004      0
Al5  .26270 .41044 .25072  .97        .0013  .0004  .0049      0  .0003      0
Mg5  .26270 .41044 .25072  .01        .0013  .0004  .0049      0  .0003      0
Fe5  .26270 .41044 .25072  .02        .0013  .0004  .0049      0  .0003      0
Al6       0      0      0  .52        .0014  .0003  .0048      0  .0017      0
Mg6       0      0      0  .04        .0014  .0003  .0048      0  .0017      0
Al7       0      0     .5 .415        .0013  .0003  .0043      0 -.0011      0
Mg7       0      0     .5  .03        .0013  .0003  .0043      0 -.0011      0
Fe8      .5      0      0 .035 1.065
Fe9      .5      0     .5  .03 1.194
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 106038/3
Locality: Franklin, North Carolina, USA
_database_code_amcsd 0005309
7.8772 16.6060 5.6568 90 90.087 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23422      0 .96447             .0035  .0003  .0068      0  .0011      0
O2   .23509      0 .53408             .0035  .0003  .0067      0 -.0011      0
O3   .25539 .16130 .01511             .0016  .0004  .0034 -.0001  .0002      0
O4   .25491 .16123 .48467             .0017  .0004  .0035  .0002 -.0002      0
O5   .00133 .08880 .24831             .0014  .0005  .0085      0 -.0001 -.0001
O6   .02126 .24947 .24981             .0019  .0003   .004      0      0  .0002
O7   .52662 .09941 .24975             .0014  .0004  .0038      0 -.0001      0
Si1  .13416 .16622 .24953  .93        .0011  .0003   .003      0      0      0
Al1  .13416 .16622 .24953  .07        .0011  .0003   .003      0      0      0
Fe1  .38986      0 .24898 .605        .0051  .0004  .0132      0 -.0001      0
Zn1  .38986      0 .24898 .162        .0051  .0004  .0132      0 -.0001      0
Al2  .38986      0 .24898  .01        .0051  .0004  .0132      0 -.0001      0
Mg1  .38986      0 .24898 .158        .0051  .0004  .0132      0 -.0001      0
Al3      .5 .17494      0 .967        .0014  .0003  .0027      0      0      0
Mg3      .5 .17494      0 .033        .0014  .0003  .0027      0      0      0
Al4      .5 .17492     .5 .967        .0014  .0003  .0026      0      0      0
Mg4      .5 .17492     .5 .033        .0014  .0003  .0026      0      0      0
Al5  .26273 .41037 .25056 .985        .0014  .0004  .0046      0      0      0
Mg5  .26273 .41037 .25056 .008        .0014  .0004  .0046      0      0      0
Fe5  .26273 .41037 .25056 .007        .0014  .0004  .0046      0      0      0
Al6       0      0      0  .52        .0014  .0003  .0044      0  .0014      0
Mg6       0      0      0 .035        .0014  .0003  .0044      0  .0014      0
Al7       0      0     .5  .43        .0013  .0003  .0041      0 -.0015      0
Mg7       0      0     .5  .03        .0013  .0003  .0041      0 -.0015      0
Fe8      .5      0      0  .04 1.042
Fe9      .5      0     .5  .03  .872
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 117189/6
Locality: Stratford, North Carolina, USA
_database_code_amcsd 0005310
7.8685 16.6103 5.6584 90 90.026 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23422      0 .96447             .0035  .0003  .0068      0  .0011      0
O2   .23509      0 .53408             .0035  .0003  .0067      0 -.0011      0
O3   .25539 .16130 .01511             .0016  .0004  .0034 -.0001  .0002      0
O4   .25491 .16123 .48467             .0017  .0004  .0035  .0002 -.0002      0
O5   .00133 .08880 .24831             .0014  .0005  .0085      0 -.0001 -.0001
O6   .02126 .24947 .24981             .0019  .0003   .004      0      0  .0002
O7   .52662 .09941 .24975             .0014  .0004  .0038      0 -.0001      0
Si1  .13416 .16622 .24953  .93        .0011  .0003   .003      0      0      0
Al1  .13416 .16622 .24953  .07        .0011  .0003   .003      0      0      0
Fe1  .38986      0 .24898 .605        .0051  .0004  .0132      0 -.0001      0
Zn1  .38986      0 .24898 .162        .0051  .0004  .0132      0 -.0001      0
Al2  .38986      0 .24898  .01        .0051  .0004  .0132      0 -.0001      0
Mg1  .38986      0 .24898 .158        .0051  .0004  .0132      0 -.0001      0
Al3      .5 .17494      0 .967        .0014  .0003  .0027      0      0      0
Mg3      .5 .17494      0 .033        .0014  .0003  .0027      0      0      0
Al4      .5 .17492     .5 .967        .0014  .0003  .0026      0      0      0
Mg4      .5 .17492     .5 .033        .0014  .0003  .0026      0      0      0
Al5  .26273 .41037 .25056 .985        .0014  .0004  .0046      0      0      0
Mg5  .26273 .41037 .25056 .008        .0014  .0004  .0046      0      0      0
Fe5  .26273 .41037 .25056 .007        .0014  .0004  .0046      0      0      0
Al6       0      0      0  .52        .0014  .0003  .0044      0  .0014      0
Mg6       0      0      0 .035        .0014  .0003  .0044      0  .0014      0
Al7       0      0     .5  .43        .0013  .0003  .0041      0 -.0015      0
Mg7       0      0     .5  .03        .0013  .0003  .0041      0 -.0015      0
Fe8      .5      0      0  .04 1.042
Fe9      .5      0     .5  .03  .872
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 117189/7
Locality: Stratford, North Carolina, USA
_database_code_amcsd 0005311
7.8678 16.6093 5.6581 90 90.128 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23456      0 .96412             .0033  .0003  .0065      0  .0008      0
O2   .23597      0 .53292             .0036  .0004  .0059      0 -.0006      0
O3   .25526 .16150 .01529             .0018  .0004  .0033 -.0002  .0002 -.0001
O4   .25481 .16126 .48397             .0019  .0004  .0031  .0002 -.0002      0
O5   .00126 .08908 .24685             .0015  .0005   .008      0 -.0002 -.0001
O6   .02190 .24946 .24969             .0018  .0003  .0036      0 -.0001  .0001
O7   .52666 .09965 .24976             .0015  .0004  .0037      0      0 -.0001
Si1  .13404 .16616 .24900  .96        .0011  .0003  .0028      0      0      0
Al1  .13404 .16616 .24900  .04        .0011  .0003  .0028      0      0      0
Fe1  .38942      0 .24780  .53        .0048  .0004  .0128      0 -.0002      0
Zn1  .38942      0 .24780  .33        .0048  .0004  .0128      0 -.0002      0
Li1  .38942      0 .24780 .015        .0048  .0004  .0128 -.0002      0      0
Mg1  .38942      0 .24780  .08        .0048  .0004  .0128 -.0002      0      0
Al3      .5 .17496      0  .96        .0015  .0003  .0026      0      0      0
Mg3      .5 .17496      0 .034        .0015  .0003  .0026      0      0      0
Fe3      .5 .17496      0 .006        .0015  .0003  .0026      0      0      0
Al4      .5 .17494     .5  .96        .0015  .0004  .0025      0      0      0
Mg4      .5 .17494     .5 .034        .0015  .0004  .0025      0      0      0
Fe4      .5 .17494     .5 .006        .0015  .0004  .0025      0      0      0
Al5  .26313 .41054 .25120 .972        .0014  .0004  .0046      0      0      0
Mg5  .26313 .41054 .25120 .015        .0014  .0004  .0046      0      0      0
Fe5  .26313 .41054 .25120 .013        .0014  .0004  .0046      0      0      0
Al6       0      0      0  .56        .0012  .0003  .0043      0  .0009      0
Mg6       0      0      0  .02        .0012  .0003  .0043      0  .0009      0
Al7       0      0     .5 .385        .0012  .0004  .0041      0 -.0013      0
Mg7       0      0     .5 .015        .0012  .0004  .0041      0 -.0013      0
Fe8      .5      0      0 .035 1.162
Fe9      .5      0     .5 .015  1.42
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 117189/21
Locality: Stratford, North Carolina, USA
_database_code_amcsd 0005312
7.8683 16.6094 5.6593 90 90.271 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23327      0 .96243             .003  .0003  .0061      0  .0006      0
O2   .23662      0 .53121            .0035  .0004   .006      0 -.0003      0
O3   .25585 .16156 .01517            .0017  .0004  .0034 -.0002  .0002      0
O4   .25425 .16124 .48360             .002  .0004  .0031  .0001 -.0003      0
O5   .00123 .08898 .24343            .0014  .0005  .0076      0 -.0001 -.0001
O6   .02151 .24942 .24923             .002  .0003  .0035  .0001 -.0001  .0002
O7   .52654 .09964 .24949            .0015  .0004  .0036      0 -.0002      0
Si1  .13408 .16612 .24795  .96       .0011  .0003  .0027      0 -.0001      0
Al1  .13408 .16612 .24795  .04       .0011  .0003  .0027      0 -.0001      0
Fe1  .38959      0 .24539  .52       .0047  .0005  .0116      0 -.0005      0
Zn1  .38959      0 .24539  .35       .0047  .0005  .0116      0 -.0005      0
Li1  .38959      0 .24539 .015       .0047  .0005  .0116 -.0005      0      0
Mg1  .38959      0 .24539 .075       .0047  .0005  .0116 -.0005      0      0
Al3      .5 .17497      0  .96       .0016  .0004  .0027      0 -.0001      0
Mg3      .5 .17497      0  .03       .0016  .0004  .0027      0 -.0001      0
Fe3      .5 .17497      0  .01       .0016  .0004  .0027      0 -.0001      0
Al4      .5 .17498     .5  .96       .0015  .0004  .0025      0      0      0
Mg4      .5 .17498     .5  .03       .0015  .0004  .0025      0      0      0
Fe4      .5 .17498     .5  .01       .0015  .0004  .0025      0      0      0
Al5  .26307 .41056 .25239  .97       .0016  .0005  .0046      0 -.0001      0
Mg5  .26307 .41056 .25239  .02       .0016  .0005  .0046      0 -.0001      0
Fe5  .26307 .41056 .25239  .01       .0016  .0005  .0046      0 -.0001      0
Al6       0      0      0  .66       .0014  .0004  .0045      0   .001      0
Mg6       0      0      0 .025       .0014  .0004  .0045      0   .001      0
Al7       0      0     .5  .29       .0012  .0004  .0047      0 -.0011      0
Mg7       0      0     .5 .015       .0012  .0004  .0047      0 -.0011      0
Fe8      .5      0      0  .04 .983
Fe9      .5      0     .5 .005   .3
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 117189/1
Locality: Stratford, North Carolina, USA
_database_code_amcsd 0005313
7.8691 16.6064 5.6595 90 90.452 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23237      0 .96061             .0027  .0003  .0048      0  .0002      0
O2   .23752      0 .52859             .0032  .0004   .005      0  .0002      0
O3   .25646 .16157 .01461             .0013  .0004  .0032 -.0001  .0001 -.0001
O4   .25364 .16104 .48346             .0017  .0004  .0026  .0001 -.0002      0
O5   .00159 .08911 .23940             .0013  .0004  .0059      0 -.0001 -.0001
O6   .02167 .24947 .24894             .0016  .0003  .0033  .0001      0  .0002
O7   .52661 .09964 .24933             .0015  .0003  .0032  .0001 -.0002 -.0001
Si1  .13417 .16614 .24653  .96        .0011  .0002  .0023      0      0      0
Al1  .13417 .16614 .24653  .04        .0011  .0002  .0023      0      0      0
Fe1  .38969      0 .24235  .52        .0046  .0004  .0087      0 -.0007      0
Zn1  .38969      0 .24235  .35        .0046  .0004  .0087      0 -.0007      0
Li1  .38969      0 .24235 .015        .0046  .0004  .0087      0 -.0007      0
Mg1  .38969      0 .24235 .075        .0046  .0004  .0087      0 -.0007      0
Al3      .5 .17501      0  .96        .0016  .0003  .0023      0      0      0
Mg3      .5 .17501      0  .03        .0016  .0003  .0023      0      0      0
Fe3      .5 .17501      0  .01        .0016  .0003  .0023      0      0      0
Al4      .5 .17490     .5  .96        .0015  .0004  .0024      0  .0001      0
Mg4      .5 .17490     .5  .03        .0015  .0004  .0024      0  .0001      0
Fe4      .5 .17490     .5  .01        .0015  .0004  .0024      0  .0001      0
Al5  .26313 .41050 .25401  .97        .0016  .0004  .0041  .0002      0      0
Mg5  .26313 .41050 .25401  .02        .0016  .0004  .0041  .0002      0      0
Fe5  .26313 .41050 .25401  .01        .0016  .0004  .0041  .0002      0      0
Al6       0      0      0  .79        .0015  .0003  .0044      0  .0007      0
Mg6       0      0      0 .033        .0015  .0003  .0044      0  .0007      0
Al7       0      0     .5  .16        .0005  .0002  .0061      0 -.0018      0
Mg7       0      0     .5 .007        .0005  .0002  .0061      0 -.0018      0
Fe8      .5      0      0 .045  .611
H1     .125      0   .445  .78 1.742
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 6-3/1
Locality: East Winthrop, Maine, USA
_database_code_amcsd 0005314
7.8707 16.5875 5.6551 90 90.025 90 C2/m
atom      x      y      z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23394      0 .96563       .0029  .0003  .0066      0  .0018      0
O2   .23425      0 .53359       .0028  .0003  .0066      0 -.0018      0
O3   .25492 .16147 .01551       .0013  .0004  .0036 -.0003  .0001 -.0001
O4   .25456 .16145 .48424       .0014  .0004  .0035  .0002 -.0002      0
O5   .00197 .08862 .24930       .0014  .0004  .0083 -.0001  .0001 -.0002
O6   .02112 .24929 .24984       .0017  .0003  .0033  .0001 -.0001  .0002
O7   .52715 .10021 .25003       .0012  .0003  .0029      0  .0001      0
Si1  .13425 .16612 .24987 .973   .001  .0002  .0029      0      0      0
Al1  .13425 .16612 .24987 .027   .001  .0002  .0029      0      0      0
Fe1  .39265      0 .24961  .63  .0049  .0004  .0161      0  .0001      0
Al2  .39265      0 .24961  .06  .0049  .0004  .0161      0  .0001      0
Li1  .39265      0 .24961 .255  .0049  .0004  .0161      0  .0001      0
Mg1  .39265      0 .24961 .055  .0049  .0004  .0161      0  .0001      0
Al3      .5 .17464      0 .975  .0017  .0004  .0026      0 -.0001      0
Mg3      .5 .17464      0  .01  .0017  .0004  .0026      0 -.0001      0
Fe3      .5 .17464      0 .015  .0017  .0004  .0026      0 -.0001      0
Al4      .5 .17464     .5 .975  .0016  .0004  .0028      0      0      0
Mg4      .5 .17464     .5  .01  .0016  .0004  .0028      0      0      0
Fe4      .5 .17464     .5 .015  .0016  .0004  .0028      0      0      0
Al5  .26228 .41070 .25017  .98  .0015  .0004  .0045      0      0      0
Fe5  .26228 .41070 .25017  .02  .0015  .0004  .0045      0      0      0
Al6       0      0      0 .485  .0016  .0003  .0035      0   .001      0
Mg6       0      0      0  .01  .0016  .0003  .0035      0   .001      0
Fe6       0      0      0  .01  .0016  .0003  .0035      0   .001      0
Al7       0      0     .5  .45  .0014  .0003   .003      0 -.0011      0
Fe7       0      0     .5  .01  .0014  .0003   .003      0 -.0011      0
Mg7       0      0     .5 .005  .0014  .0003   .003      0 -.0011      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: WARD/7
Locality: Fiordland, New Zealand
_database_code_amcsd 0005315
7.8719 16.6118 5.6547 90 90.122 90 C2/m
atom      x      y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23434      0 .96393             .0035  .0003  .0076      0  .0012      0
O2   .23598      0 .53260             .0037  .0003  .0073      0 -.0009      0
O3   .25536 .16134 .01550             .0015  .0004  .0033 -.0002  .0005 -.0001
O4   .25448 .16120 .48397             .0016  .0005  .0036  .0002 -.0002      0
O5   .00162 .08911 .24689             .0014  .0005   .008      0 -.0001 -.0001
O6   .02168 .24934 .24987             .0018  .0003   .004      0      0  .0002
O7   .52703 .09981 .24962             .0013  .0004  .0039      0 -.0001 -.0001
Si1  .13413 .16621 .24909  .96        .0009  .0003   .003      0      0      0
Al1  .13413 .16621 .24909  .04        .0009  .0003   .003      0      0      0
Fe1  .39155      0 .24836  .58        .0056  .0004  .0143      0 -.0002      0
Al2  .39155      0 .24836  .11        .0056  .0004  .0143      0 -.0002      0
Mg1  .39155      0 .24836  .21        .0056  .0004  .0143      0 -.0002      0
Al3      .5 .17494      0  .94        .0015  .0004  .0032      0      0      0
Mg3      .5 .17494      0 .045        .0015  .0004  .0032      0      0      0
Fe3      .5 .17494      0 .015        .0015  .0004  .0032      0      0      0
Al4      .5 .17485     .5  .94        .0015  .0004  .0031      0  .0001      0
Mg4      .5 .17485     .5 .045        .0015  .0004  .0031      0  .0001      0
Fe4      .5 .17485     .5 .015        .0015  .0004  .0031      0  .0001      0
Al5  .26320 .41056 .25101  .96        .0014  .0004  .0051      0      0      0
Mg5  .26320 .41056 .25101  .01        .0014  .0004  .0051      0      0      0
Fe5  .26320 .41056 .25101  .03        .0014  .0004  .0051      0      0      0
Al6       0      0      0  .52        .0017  .0004  .0051      0  .0011      0
Mg6       0      0      0  .05        .0017  .0004  .0051      0  .0011      0
Fe6       0      0      0  .01        .0017  .0004  .0051      0  .0011      0
Al7       0      0     .5  .38        .0017  .0004  .0055      0 -.0014      0
Fe7       0      0     .5 .035        .0017  .0004  .0055      0 -.0014      0
Mg7       0      0     .5 .005        .0017  .0004  .0055      0 -.0014      0
Fe8      .5      0      0  .06 1.068
Fe9      .5      0     .5 .035   .91
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MOT/2
_database_code_amcsd 0005316
7.8678 16.6189 5.6582 90 90.000 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23436      0 .96445            .0035  .0004  .0072      0  .0009      0
O2   .23458      0 .53491            .0037  .0004  .0071      0 -.0008      0
O3   .25521 .16134 .01549            .0017  .0004   .004 -.0002  .0003      0
O4   .25513 .16131 .48437            .0018  .0004  .0038  .0002 -.0002      0
O5   .00140 .08880 .24963            .0015  .0005  .0092      0      0 -.0001
O6   .02154 .24932 .25002            .0019  .0003   .004      0  .0001  .0001
O7   .52696 .10024 .25007            .0015  .0004   .004      0  .0001      0
Si1  .13411 .16609 .24998  .93       .0011  .0003  .0032      0      0      0
Al1  .13411 .16609 .24998  .07       .0011  .0003  .0032      0      0      0
Fe1  .39167      0 .24993 .805        .006  .0004  .0134      0      0      0
Li1  .39167      0 .24993  .02        .006  .0004  .0134      0      0      0
Mg1  .39167      0 .24993 .105        .006  .0004  .0134      0      0      0
Al3      .5 .17520      0 .965       .0016  .0004  .0033      0      0      0
Mg3      .5 .15204      0  .02       .0016  .0004  .0033      0      0      0
Fe3      .5 .17520      0 .015       .0016  .0004  .0033      0      0      0
Al4      .5 .17516     .5 .965       .0016  .0004  .0033      0  .0001      0
Mg4      .5 .17516     .5  .02       .0016  .0004  .0033      0  .0001      0
Fe4      .5 .17516     .5 .015       .0016  .0004  .0033      0  .0001      0
Al5  .26320 .41050 .25003  .98       .0014  .0004  .0048      0  .0001      0
Mg5  .26320 .41050 .25003 .006       .0014  .0004  .0048      0  .0001      0
Fe5  .26320 .41050 .25003 .014       .0014  .0004  .0048      0  .0001      0
Al6       0      0      0 .485       .0015  .0003  .0046      0  .0015      0
Mg6       0      0      0  .02       .0015  .0003  .0046      0  .0015      0
Al7       0      0     .5  .48       .0015  .0003  .0041      0 -.0013      0
Mg7       0      0     .5 .005       .0015  .0003  .0041      0 -.0013      0
Fe8      .5      0      0 .033 .679
Fe9      .5      0     .5 .037 .967
H1     .125      0    .05  .75  .35
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MUS/6-1
Locality: Pizzo Forno, Switzerland
_database_code_amcsd 0005317
7.8682 16.61499 5.6553 90 90.024 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23482      0 .96459             .0034  .0004  .0078      0  .0009      0
O2   .23497      0 .53538             .0035  .0004  .0074      0 -.0007      0
O3   .25492 .16146 .01562             .0016  .0004   .004 -.0002  .0003      0
O4   .25500 .16142 .48428             .0015  .0004  .0041  .0001 -.0002      0
O5   .00176 .08908 .24976             .0013  .0005  .0093      0      0 -.0001
O6   .02150 .24932 .25007             .0018  .0004  .0041      0      0  .0002
O7   .52712 .10015 .24999             .0014  .0004  .0044      0  .0001 -.0001
Si1  .13418 .16615 .24994  .94         .001  .0003  .0036      0      0      0
Al1  .13418 .16615 .24994  .06         .001  .0003  .0036      0      0      0
Fe1  .39167      0 .24993  .75        .0057  .0004  .0146      0      0      0
Mg1  .39167      0 .24993  .14        .0057  .0004  .0146      0      0      0
Li1  .39167      0 .24993  .02        .0057  .0004  .0146      0      0      0
Zn1  .39167      0 .24993 .015        .0057  .0004  .0146      0      0      0
Al3      .5 .17520      0  .96        .0014  .0004  .0032      0 -.0001      0
Mg3      .5 .17520      0  .03        .0014  .0004  .0032      0 -.0001      0
Fe3      .5 .17520      0  .01        .0014  .0004  .0032      0 -.0001      0
Al4      .5 .17516     .5  .96        .0014  .0004  .0031      0  .0001      0
Mg4      .5 .17516     .5  .03        .0014  .0004  .0031      0  .0001      0
Fe4      .5 .17516     .5  .01        .0014  .0004  .0031      0  .0001      0
Al5  .26320 .41050 .25003  .99        .0014  .0004  .0051      0      0      0
Mg5  .26320 .41050 .25003  .01        .0014  .0004  .0051      0      0      0
Al6       0      0      0  .47        .0016  .0004  .0052      0  .0013      0
Mg6       0      0      0  .03        .0016  .0004  .0052      0  .0013      0
Al7       0      0     .5 .465        .0017  .0004  .0053      0 -.0012      0
Mg7       0      0     .5  .03        .0017  .0004  .0053      0 -.0012      0
Fe8      .5      0      0 .045 1.157
Fe9      .5      0     .5  .04 1.121
H1     .125      0    .05  .25  7.89
H2     .125      0    .45   .5  3.54
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MUS-AR/3
Locality: Pizzo Forno, Switzerland
_database_code_amcsd 0005318
7.8660 16.61378 5.6552 90 90.057 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23462      0 .96426             .0033  .0004  .0069      0  .0009      0
O2   .23544      0 .53455             .0035  .0004  .0069      0 -.0006      0
O3   .25519 .16145 .01541             .0015  .0005  .0033 -.0002  .0003      0
O4   .25493 .16136 .48425             .0015  .0005  .0033  .0002 -.0001      0
O5   .00179 .08899 .25003             .0014  .0005  .0085      0  .0001 -.0001
O6   .02150 .24932 .25007             .0019  .0004  .0035      0  .0001  .0002
O7   .52704 .10007 .24991             .0015  .0004  .0039      0  .0001 -.0001
Si1  .13413 .16615 .24958  .94        .0011  .0003   .003      0  .0001      0
Al1  .13413 .16615 .24958  .06        .0011  .0003   .003      0  .0001      0
Fe1  .39244      0 .24913  .75        .0057  .0004   .014      0      0      0
Mg1  .39244      0 .24913  .14        .0057  .0004   .014      0      0      0
Li1  .39244      0 .24913  .02        .0057  .0004   .014      0      0      0
Zn1  .39244      0 .24913 .015        .0057  .0004   .014      0      0      0
Al3      .5 .17511      0  .96        .0014  .0004  .0027      0      0      0
Mg3      .5 .17511      0  .03        .0015  .0004  .0027      0      0      0
Fe3      .5 .17511      0  .01        .0015  .0004  .0027      0      0      0
Al4      .5 .17499     .5  .96        .0015  .0004  .0028      0  .0002      0
Mg4      .5 .17499     .5  .03        .0015  .0004  .0028      0  .0002      0
Fe4      .5 .17499     .5  .01        .0015  .0004  .0028      0  .0002      0
Al5  .26348 .41042 .25058  .99        .0013  .0004  .0044      0  .0001      0
Mg5  .26348 .41042 .25058  .01        .0013  .0004  .0044      0  .0001      0
Al6       0      0      0  .52        .0015  .0004  .0045      0  .0011      0
Mg6       0      0      0 .033        .0015  .0004  .0045      0  .0011      0
Al7       0      0     .5 .415        .0015  .0004  .0049      0 -.0008      0
Mg7       0      0     .5 .027        .0015  .0004  .0049      0 -.0008      0
Fe8      .5      0      0  .05 1.157
Fe9      .5      0     .5 .035 1.121
H1     .125      0    .05   .5  19.3
H2     .125      0    .45  .25  30.9
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: HP1/2
Locality: Pizzo Forno, Switzerland
_database_code_amcsd 0005319
7.8690 16.6142 5.6585 90 90.070 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23436      0 .96402            .0033  .0004  .0072      0  .0011      0
O2   .23531      0 .53503            .0035  .0004  .0071      0 -.0008      0
O3   .25508 .16142 .01559            .0015  .0004  .0037 -.0002  .0002      0
O4   .25486 .16129 .48394            .0016  .0004  .0038  .0002 -.0002      0
O5   .00175 .08899 .24823            .0014  .0005   .009      0      0 -.0001
O6   .02154 .24927 .24987            .0019  .0003  .0039      0      0  .0002
O7   .52733 .10007 .24962            .0014  .0004  .0041      0      0      0
Si1  .13414 .16611 .24946 .945        .001  .0003  .0031      0      0      0
Al1  .13414 .16611 .24946 .055        .001  .0003  .0031      0      0      0
Fe1  .39210      0 .24897  .76       .0056  .0004  .0141      0 -.0001      0
Mg1  .39210      0 .24897  .16       .0056  .0004  .0141      0 -.0001      0
Li1  .39210      0 .24897 .025       .0056  .0004  .0141      0 -.0001      0
Zn1  .39210      0 .24897  .03       .0056  .0004  .0141      0 -.0001      0
Al3      .5 .17513      0  .97       .0015  .0003  .0029      0      0      0
Mg3      .5 .17513      0  .03       .0015  .0003  .0029      0      0      0
Al4      .5 .17503     .5  .97       .0015  .0004  .0029      0  .0001      0
Mg4      .5 .17503     .5  .03       .0015  .0004  .0029      0  .0001      0
Al5  .26344 .41047 .25063 .978       .0017  .0005  .0055      0      0      0
Mg5  .26344 .41047 .25063  .01       .0017  .0005  .0055      0      0      0
Fe5  .26344 .41047 .25063 .012       .0017  .0005  .0055      0      0      0
Al6       0      0      0 .525       .0015  .0003  .0047      0  .0012      0
Mg6       0      0      0  .03       .0015  .0003  .0047      0  .0012      0
Al7       0      0     .5  .42       .0014  .0003  .0045      0 -.0015      0
Mg7       0      0     .5 .025       .0014  .0003  .0045      0 -.0015      0
Fe8      .5      0      0  .05  .98
Fe9      .5      0     .5  .04 1.26
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MUS/3
Locality: Pizzo Forno, Switzerland
_database_code_amcsd 0005320
7.8689 16.6198 5.6566 90 90.164 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23341      0 .96331             .0031  .0003   .007      0  .0012      0
O2   .23579      0 .53343             .0034  .0004  .0069      0 -.0007      0
O3   .25550 .16141 .01511             .0016  .0004  .0036 -.0002  .0002 -.0001
O4   .25448 .16112 .48397             .0017  .0004  .0035  .0002 -.0003      0
O5   .00154 .08882 .24588             .0014  .0005  .0083      0 -.0002 -.0001
O6   .02157 .24920 .24976             .0019  .0003   .004      0 -.0001  .0001
O7   .52709 .10030 .24960             .0013  .0004   .004      0  .0001      0
Si1  .13413 .16604 .24870 .945         .001  .0002  .0029      0 -.0001      0
Al1  .13413 .16604 .24870 .055         .001  .0002  .0029      0 -.0001      0
Fe1  .39251      0 .24751  .76        .0056  .0004  .0134      0 -.0002      0
Mg1  .39251      0 .24751  .16        .0056  .0004  .0134      0 -.0002      0
Li1  .39251      0 .24751 .025        .0056  .0004  .0134      0 -.0002      0
Zn1  .39251      0 .24751  .03        .0056  .0004  .0134      0 -.0002      0
Al3      .5 .17538      0  .97        .0013  .0003  .0026      0 -.0001      0
Mg3      .5 .17538      0  .03        .0013  .0003  .0026      0 -.0001      0
Al4      .5 .17523     .5  .97        .0014  .0003  .0026      0      0      0
Mg4      .5 .17523     .5  .03        .0014  .0003  .0026      0      0      0
Al5  .26322 .41039 .25152 .978        .0013  .0004  .0046      0      0      0
Mg5  .26322 .41039 .25152  .01        .0013  .0004  .0046      0      0      0
Fe2  .26322 .41039 .25152 .012        .0013  .0003  .0026      0 -.0001      0
Al6       0      0      0  .59        .0015  .0003  .0043      0  .0011      0
Mg6       0      0      0 .035        .0015  .0003  .0043      0  .0011      0
Al7       0      0     .5 .355        .0014  .0003  .0042      0 -.0013      0
Mg7       0      0     .5  .02        .0014  .0003  .0042      0 -.0013      0
Fe3      .5      0      0  .05        .0014  .0003  .0026      0      0      0
Fe4      .5      0     .5  .02 1.127
H1     .125      0    .05   .4  8.23
H2     .125      0    .45  .35 10.78
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: PIO/11
Locality: Brazil
_database_code_amcsd 0005321
7.8669 16.6216 5.6569 90 90.030 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23470      0 .96469             .0036  .0004  .0071      0  .0007      0
O2   .23504      0 .53488             .0036  .0004  .0075      0 -.0008      0
O3   .25505 .16135 .01560             .0017  .0005  .0038 -.0002  .0002      0
O4   .25503 .16130 .48441             .0017  .0004  .0039  .0002 -.0003      0
O5   .00163 .08886 .24960             .0015  .0005  .0091      0 -.0001 -.0001
O6   .02140 .24927 .25001              .002  .0004  .0041      0 -.0002  .0001
O7   .52689 .10018 .24993             .0015  .0004  .0042      0      0 -.0001
Si1  .13416 .16610 .24987 .935        .0011  .0003  .0034      0 -.0001      0
Al1  .13416 .16610 .24987 .065        .0011  .0003  .0034      0 -.0001      0
Fe1  .39134      0 .24963  .73         .006  .0004  .0135      0 -.0001      0
Mg1  .39134      0 .24963 .105         .006  .0004  .0135      0 -.0001      0
Al2  .39134      0 .24963 .055         .006  .0004  .0135      0 -.0001      0
Li1  .39134      0 .24963 .025         .006  .0004  .0135      0 -.0001      0
Zn1  .39134      0 .24963  .02         .006  .0004  .0135      0 -.0001      0
Al3      .5 .17516      0  .96        .0016  .0004  .0031      0 -.0001      0
Mg3      .5 .17516      0  .03        .0016  .0004  .0031      0 -.0001      0
Fe3      .5 .17516      0  .01        .0016  .0004  .0031      0 -.0001      0
Al4      .5 .17514     .5  .96        .0016  .0004  .0031      0      0      0
Mg4      .5 .17514     .5  .03        .0016  .0004  .0031      0      0      0
Fe4      .5 .17514     .5  .01        .0016  .0004  .0031      0      0      0
Al5  .26318 .41055 .25018 .965        .0017  .0005  .0054      0      0      0
Mg5  .26318 .41055 .25018 .007        .0017  .0005  .0054      0      0      0
Fe5  .26318 .41055 .25018 .028        .0017  .0005  .0054      0      0      0
Al6       0      0      0  .49        .0015  .0004  .0051      0   .001      0
Mg6       0      0      0 .025        .0015  .0004  .0051      0   .001      0
Al7       0      0     .5  .46        .0015  .0004   .005      0 -.0013      0
Mg7       0      0     .5 .025        .0015  .0004   .005      0 -.0013      0
Fe8      .5      0      0 .035 1.177
Fe9      .5      0     .5  .03  .921
H1     .125      0    .05   .4  8.81
H2     .125      0   .455  .35  9.99
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: PIO/13
Locality: Brazil
_database_code_amcsd 0005322
7.8650 16.60899 5.6560 90 90.028 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23398      0 .96441            .0035  .0004   .007      0  .0008      0
O2   .23443      0 .53467            .0036  .0004  .0071      0 -.0007      0
O3   .25512 .16135 .01554            .0018  .0004  .0035 -.0002  .0002      0
O4   .25500 .16132 .48425            .0017  .0004  .0036  .0002 -.0002      0
O5   .00158 .08887 .24906            .0015  .0005  .0093      0      0 -.0001
O6   .02148 .24930 .25006            .0019  .0003  .0038      0      0  .0001
O7   .52690 .10014 .24990            .0016  .0004  .0039      0      0      0
Si1  .13415 .16609 .24975 .935       .0011  .0003  .0031      0      0      0
Al1  .13415 .16609 .24975 .065       .0011  .0003  .0031      0      0      0
Fe1  .39136      0 .24952  .78       .0061  .0004  .0133      0 -.0001      0
Mg1  .39136      0 .24952  .13       .0061  .0004  .0133      0 -.0001      0
Li1  .39136      0 .24952 .023       .0061  .0004  .0133      0 -.0001      0
Zn1  .39136      0 .24952  .02       .0061  .0004  .0133      0 -.0001      0
Al3      .5 .17514      0 .965       .0016  .0003  .0028      0      0      0
Mg3      .5 .17514      0 .025    0
Fe3      .5 .17514      0  .01    0
Al4      .5 .17510     .5 .965    0
Mg4      .5 .17510     .5 .025    0
Fe4      .5 .17510     .5  .01    0
Al5  .26313 .41051 .25031  .98    0
Mg5  .26313 .41051 .25031 .008    0
Fe5  .26313 .41051 .25031 .012    0
Al6       0      0      0  .49    0
Mg6       0      0      0 .025    0
Al7       0      0     .5  .46    0
Mg7       0      0     .5 .025    0
Fe8      .5      0      0  .04  .93
Fe9      .5      0     .5  .03 .873
H1     .125      0    .05   .4  .86
H2     .125      0   .455  .35 1.69
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DW7/4
Locality: Antarctica
_database_code_amcsd 0005323
7.8750 16.6140 5.6580 90 90.045 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23445      0 .96429             .0036  .0004  .0072      0   .001      0
O2   .23521      0 .53475             .0036  .0004  .0069      0 -.0008      0
O3   .25512 .16146 .01569             .0018  .0004  .0037 -.0002  .0002      0
O4   .25484 .16132 .48404             .0019  .0004  .0037  .0001 -.0002      0
O5   .00166 .08914 .24876             .0015  .0005  .0087      0 -.0001 -.0001
O6   .02172 .24931 .24985             .0021  .0004   .004      0      0  .0002
O7   .52749 .10009 .24980             .0016  .0004  .0041      0      0 -.0001
Si1  .13409 .16613 .24960  .96        .0012  .0003  .0032      0      0      0
Al1  .13409 .16613 .24960  .04        .0012  .0003  .0032      0      0      0
Fe1  .39321      0 .24927 .705        .0054  .0004  .0149      0 -.0001      0
Mg1  .39321      0 .24927  .12        .0054  .0004  .0149      0 -.0001      0
Li1  .39321      0 .24927  .03        .0054  .0004  .0149      0 -.0001      0
Zn1  .39321      0 .24927  .05        .0054  .0004  .0149      0 -.0001      0
Al3      .5 .17515      0 .965        .0017  .0004  .0031      0 -.0001      0
Mg3      .5 .17515      0 .025        .0017  .0004  .0031      0 -.0001      0
Fe3      .5 .17515      0  .01        .0017  .0004  .0031      0 -.0001      0
Al4      .5 .17506     .5 .965        .0017  .0004  .0031      0  .0001      0
Mg4      .5 .17506     .5 .025        .0017  .0004  .0031      0  .0001      0
Fe4      .5 .17506     .5  .01        .0017  .0004  .0031      0  .0001      0
Al5  .26384 .41029 .25041  .97        .0016  .0004   .005      0      0      0
Mg5  .26384 .41029 .25041 .006        .0016  .0004   .005      0      0      0
Fe5  .26384 .41029 .25041 .024        .0016  .0004   .005      0      0      0
Al6       0      0      0  .52        .0019  .0004  .0048      0   .001      0
Mg6       0      0      0 .027        .0019  .0004  .0048      0   .001      0
Al7       0      0     .5  .45        .0016  .0005  .0045      0 -.0012      0
Mg7       0      0     .5 .023        .0016  .0005  .0045      0 -.0012      0
Fe8      .5      0      0 .055 1.063
Fe9      .5      0     .5 .045  1.16
H1     .125      0    .05   .4  1.18
H2     .125      0    .45  .35  2.09
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DW7/8II
Locality: Antarctica
_database_code_amcsd 0005324
7.8682 16.6218 5.6573 90 90.104 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23393      0 .96345            .0029  .0004  .0065      0  .0009      0
O2   .23547      0 .53412            .0032  .0004   .007      0 -.0005      0
O3   .25534 .16157 .01530            .0014  .0004  .0036 -.0002  .0002      0
O4   .25472 .16127 .48393            .0015  .0004  .0035  .0002 -.0003      0
O5   .00170 .08917 .24676            .0012  .0005  .0086      0      0 -.0001
O6   .02150 .24935 .24989            .0017  .0004  .0036      0      0  .0002
O7   .52740 .10017 .24958            .0013  .0004  .0039      0      0      0
Si1  .13415 .16617 .24905  .95       .0009  .0003   .003      0      0      0
Al1  .13415 .16617 .24905  .05       .0009  .0003   .003      0      0      0
Fe1  .39318      0 .24827  .62       .0051  .0004   .014      0 -.0001      0
Mg1  .39318      0 .24827  .11       .0051  .0004   .014      0 -.0001      0
Li1  .39318      0 .24827  .03       .0051  .0004   .014      0 -.0001      0
Zn1  .39318      0 .24827 .055       .0051  .0004   .014      0 -.0001      0
Al2  .39318      0 .24827 .105       .0051  .0004   .014      0 -.0001      0
Al3      .5 .17510      0  .96       .0016  .0004  .0031      0 -.0001      0
Mg3      .5 .17510      0  .02       .0016  .0004  .0031      0 -.0001      0
Fe3      .5 .17510      0  .02       .0016  .0004  .0031      0 -.0001      0
Al4      .5 .17483     .5  .96       .0015  .0004  .0032      0  .0001      0
Mg4      .5 .17483     .5  .02       .0015  .0004  .0032      0  .0001      0
Fe4      .5 .17483     .5  .02       .0015  .0004  .0032      0  .0001      0
Al5  .26386 .41029 .25112 .954       .0016  .0005  .0052      0      0      0
Mg5  .26386 .41029 .25112 .008       .0016  .0005  .0052      0      0      0
Fe5  .26386 .41029 .25112 .038       .0016  .0005  .0052      0      0      0
Al6       0      0      0  .55       .0015  .0004  .0043      0   .001      0
Mg6       0      0      0 .025       .0015  .0004  .0043      0   .001      0
Al7       0      0     .5  .37       .0014  .0004  .0046      0 -.0013      0
Mg7       0      0     .5  .02       .0014  .0004  .0046      0 -.0013      0
Fe8      .5      0      0 .075 .858
Fe9      .5      0     .5 .045 .835
H1     .125      0    .05   .4  4.7
H2     .125      0   .455  .35 9.03
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DER/10-2
Locality: Derivo, Italy
_database_code_amcsd 0005325
7.8682 16.6218 5.6573 90 90.104 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23356      0 .96361            .0035  .0004  .0067      0   .001      0
O2   .23522      0 .53390            .0038  .0004  .0068      0 -.0006      0
O3   .25529 .16140 .01540            .0018  .0004  .0036 -.0002  .0003 -.0001
O4   .25459 .16122 .48404            .0019  .0004  .0036  .0002 -.0002      0
O5   .00148 .08883 .24712            .0016  .0004  .0088      0      0 -.0001
O6   .02158 .24919 .24980             .002  .0003  .0036      0      0  .0001
O7   .52697 .10037 .24970            .0017  .0004  .0038      0  .0001      0
Si1  .13405 .16604 .24917  .94       .0012  .0003  .0031      0      0      0
Al1  .13405 .16604 .24917  .06       .0012  .0003  .0031      0      0      0
Fe1  .39205      0 .24838  .85       .0062  .0004  .0135      0 -.0002      0
Mg1  .39205      0 .24838  .06       .0062  .0004  .0135      0 -.0002      0
Li1  .39205      0 .24838  .03       .0062  .0004  .0135      0 -.0002      0
Zn1  .39205      0 .24838  .01       .0062  .0004  .0135      0 -.0002      0
Al3      .5 .17529      0 .965       .0016  .0003  .0027      0      0      0
Mg3      .5 .17529      0  .03       .0016  .0003  .0027      0      0      0
Fe3      .5 .17529      0 .005       .0016  .0003  .0027      0      0      0
Al4      .5 .17522     .5 .965       .0016  .0003  .0025      0      0      0
Mg4      .5 .17522     .5  .03       .0016  .0003  .0025      0      0      0
Fe4      .5 .17522     .5 .005       .0016  .0003  .0025      0      0      0
Al5  .26302 .41048 .25092  .98       .0015  .0004  .0045      0      0      0
Mg5  .26302 .41048 .25092 .015       .0015  .0004  .0045      0      0      0
Fe5  .26302 .41048 .25092 .005       .0015  .0004  .0045      0      0      0
Al6       0      0      0  .54       .0015  .0003  .0039      0  .0014      0
Mg6       0      0      0 .035       .0015  .0003  .0039      0  .0014      0
Al7       0      0     .5   .4       .0016  .0003  .0033      0 -.0016      0
Mg7       0      0     .5 .025       .0016  .0003  .0033      0 -.0016      0
Fe8      .5      0      0 .035  .77
Fe9      .5      0     .5 .025 .941
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DER/2
Locality: Derivo, Italy
_database_code_amcsd 0005326
7.8723 16.62259 5.6619 90 90.114 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23386      0 .96377            .0033  .0004   .007      0  .0011      0
O2   .23545      0 .53411            .0035  .0004  .0071      0 -.0008      0
O3   .25535 .16140 .01518            .0015  .0005  .0035 -.0002  .0002      0
O4   .25466 .16121 .48413            .0016  .0004  .0036  .0002 -.0001      0
O5   .00161 .08870 .24747            .0014  .0005  .0086      0 -.0001      0
O6   .02135 .24924 .24980             .002  .0003   .004      0 -.0001  .0002
O7   .52705 .10028 .24987            .0015  .0004  .0039      0 -.0001 -.0001
Si1  .13413 .16606 .24915  .94       .0011  .0003  .0031      0      0      0
Al1  .13413 .16606 .24915  .06       .0011  .0003  .0031      0      0      0
Fe1  .39232      0 .24852  .85       .0059  .0004  .0137      0 -.0001      0
Mg1  .39232      0 .24852  .06       .0059  .0004  .0137      0 -.0001      0
Li1  .39232      0 .24852  .03       .0059  .0004  .0137      0 -.0001      0
Zn1  .39232      0 .24852  .01       .0059  .0004  .0137      0 -.0001      0
Al3      .5 .17528      0 .965       .0016  .0004  .0029      0 -.0001      0
Mg3      .5 .17528      0  .03       .0016  .0004  .0029      0 -.0001      0
Fe3      .5 .17528      0 .005       .0016  .0004  .0029      0 -.0001      0
Al4      .5 .17519     .5 .965       .0016  .0004  .0028      0      0      0
Mg4      .5 .17519     .5  .03       .0016  .0004  .0028      0      0      0
Fe4      .5 .17519     .5 .005       .0016  .0004  .0028      0      0      0
Al5  .26323 .41039 .25092  .98       .0015  .0004  .0047      0      0      0
Mg5  .26323 .41039 .25092 .015       .0015  .0004  .0047      0      0      0
Fe5  .26323 .41039 .25092 .005       .0015  .0004  .0047      0      0      0
Al6       0      0      0  .54       .0017  .0004  .0044      0  .0009      0
Mg6       0      0      0 .035       .0017  .0004  .0044      0  .0009      0
Al7       0      0     .5   .4       .0016  .0004  .0038      0 -.0012      0
Mg7       0      0     .5 .025       .0016  .0004  .0038      0 -.0012      0
Fe8      .5      0      0 .035  .77
Fe9      .5      0     .5 .025 .941
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DER/1
Locality: Derivo, Italy
_database_code_amcsd 0005327
7.8710 16.62399 5.6605 90 90.120 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23375      0 .96346            .0033  .0003  .0069      0  .0011      0
O2   .23576      0 .53335            .0036  .0003  .0069      0 -.0005      0
O3   .25546 .16135 .01519            .0016  .0004  .0031 -.0001  .0005      0
O4   .25461 .16118 .48408            .0016  .0003  .0033  .0001 -.0001      0
O5   .00153 .08877 .24686            .0014  .0004  .0081      0      0 -.0001
O6   .02118 .24924 .24978             .002  .0003  .0035      0  .0002  .0001
O7   .52696 .10033 .24972            .0014  .0003  .0037      0  .0001      0
Si1  .13412 .16604 .24903  .94        .001  .0002  .0029      0  .0001      0
Al1  .13412 .16604 .24903  .06        .001  .0002  .0029      0  .0001      0
Fe1  .39189      0 .24811  .84        .006  .0003  .0131      0 -.0001      0
Mg1  .39189      0 .24811 .065        .006  .0003  .0131      0 -.0001      0
Li1  .39189      0 .24811 .028        .006  .0003  .0131      0 -.0001      0
Zn1  .39189      0 .24811 .008        .006  .0003  .0131      0 -.0001      0
Al3      .5 .17536      0  .97       .0016  .0003  .0026      0  .0001      0
Mg3      .5 .17536      0  .03       .0016  .0003  .0026      0  .0001      0
Al4      .5 .17522     .5  .97       .0015  .0003  .0025      0  .0002      0
Mg4      .5 .17522     .5  .03       .0015  .0003  .0025      0  .0002      0
Al5  .26309 .41041 .25118 .978       .0016  .0004  .0047      0  .0001      0
Mg5  .26309 .41041 .25118 .014       .0016  .0004  .0047      0  .0001      0
Fe5  .26309 .41041 .25118 .008       .0016  .0004  .0047      0  .0001      0
Al6       0      0      0  .56       .0015  .0002  .0043      0  .0011      0
Mg6       0      0      0  .03       .0015  .0002  .0043      0  .0011      0
Al7       0      0     .5  .39       .0015  .0003  .0042      0  -.001      0
Mg7       0      0     .5  .02       .0015  .0003  .0042      0  -.001      0
Fe8      .5      0      0 .045 .824
Fe9      .5      0     .5 .025 .992
H1     .125      0    .05  .35 4.54
H2     .125      0    .45   .4 1.24
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: DER/10-4
Locality: Derivo, Italy
_database_code_amcsd 0005328
7.8687 16.62219 5.6604 90 90.122 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23336      0 .96360             .0033  .0004  .0067      0  .0012      0
O2   .23526      0 .53387             .0036  .0004  .0069      0 -.0007      0
O3   .25526 .16138 .01512             .0017  .0004  .0037 -.0002  .0004 -.0001
O4   .25461 .16122 .48404             .0018  .0004  .0036  .0002 -.0001      0
O5   .00141 .08879 .24680             .0014  .0005  .0089      0      0 -.0001
O6   .02160 .24918 .24995              .002  .0003   .004      0      0  .0001
O7   .52702 .10030 .24971             .0015  .0004  .0035      0      0      0
Si1  .13406 .16604 .24903  .94        .0011  .0003  .0029      0  .0001      0
Al1  .13406 .16604 .24903  .06        .0011  .0003  .0029      0  .0001      0
Fe1  .39228      0 .24835  .84         .006  .0004  .0133      0 -.0001      0
Mg1  .39228      0 .24835 .065         .006  .0004  .0133      0 -.0001      0
Li1  .39228      0 .24835 .028         .006  .0004  .0133      0 -.0001      0
Zn1  .39228      0 .24835 .008         .006  .0004  .0133      0 -.0001      0
Al3      .5 .17529      0  .97        .0015  .0003  .0026      0      0      0
Mg3      .5 .17529      0  .03        .0015  .0003  .0026      0      0      0
Al4      .5 .17520     .5  .97        .0014  .0003  .0025      0  .0001      0
Mg4      .5 .17520     .5  .03        .0014  .0003  .0025      0  .0001      0
Al5  .26301 .41044 .25098 .978        .0014  .0004  .0043      0  .0001      0
Mg5  .26301 .41044 .25098 .014        .0014  .0004  .0043      0  .0001      0
Fe5  .26301 .41044 .25098 .008        .0014  .0004  .0043      0  .0001      0
Al6       0      0      0  .56        .0016  .0003  .0038      0  .0014      0
Mg6       0      0      0  .03        .0016  .0003  .0038      0  .0014      0
Al7       0      0     .5  .39        .0014  .0004  .0033      0 -.0016      0
Mg7       0      0     .5  .02        .0014  .0004  .0033      0 -.0016      0
Fe8      .5      0      0 .045  .894
Fe9      .5      0     .5 .025 1.034
H1     .125      0    .05  .35   .01
H2     .125      0    .45   .4   .01
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/FP15
Locality: Derivo, Italy
_database_code_amcsd 0005329
7.8695 16.60759 5.6558 90 90.001 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23461      0 .96468             .0035  .0003  .0071      0  .0011      0
O2   .23493      0 .53474             .0035  .0003  .0071      0  -.001      0
O3   .25523 .16128 .01537             .0016  .0004  .0037 -.0002  .0002 -.0001
O4   .25503 .16129 .48467             .0016  .0004  .0039  .0002 -.0001      0
O5   .00152 .08876 .24971             .0014  .0005  .0092      0  .0001 -.0001
O6   .02140 .24936 .25018              .002  .0003  .0039      0      0  .0002
O7   .52671 .09997 .24994             .0014  .0004  .0041      0      0      0
Si1  .13416 .16612 .24996 .947        .0011  .0003  .0032      0      0      0
Al1  .13416 .16612 .24996 .053        .0011  .0003  .0032      0      0      0
Fe1  .39107      0 .24991  .71        .0059  .0004  .0131      0      0      0
Mg1  .39107      0 .24991 .105        .0059  .0004  .0131      0      0      0
Li1  .39107      0 .24991 .028        .0059  .0004  .0131      0      0      0
Zn1  .39107      0 .24991 .023        .0059  .0004  .0131      0      0      0
Al2  .39107      0 .24991 .043        .0059  .0004  .0131      0      0      0
Al3      .5 .17511      0  .96        .0015  .0003  .0027      0      0      0
Mg3      .5 .17511      0 .025        .0015  .0003  .0027      0      0      0
Fe3      .5 .17511      0 .015        .0015  .0003  .0027      0      0      0
Al4      .5 .17511     .5  .96        .0015  .0003  .0027      0      0      0
Mg4      .5 .17511     .5 .025        .0015  .0003  .0027      0      0      0
Fe4      .5 .17511     .5 .015        .0015  .0003  .0027      0      0      0
Al5  .26288 .41053 .25011 .963        .0014  .0004  .0048      0      0      0
Mg5  .26288 .41035 .25011 .007        .0014  .0004  .0048      0      0      0
Fe5  .26288 .41035 .25011  .03        .0014  .0004  .0048      0      0      0
Al6       0      0      0  .48        .0015  .0003  .0044      0  .0015      0
Mg6       0      0      0 .025        .0015  .0003  .0044      0  .0015      0
Al7       0      0     .5 .475        .0014  .0003  .0043      0 -.0013      0
Mg7       0      0     .5  .02        .0014  .0003  .0043      0 -.0013      0
Fe8      .5      0      0  .05 1.082
Fe9      .5      0     .5 .045 1.013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/1
Locality: Ticino River, Italy
_database_code_amcsd 0005330
7.8683 16.61989 5.6614 90 90.050 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23464      0 .96434             .0037  .0004  .0074      0   .001      0
O2   .23535      0 .53464             .0038  .0004  .0072      0 -.0006      0
O3   .25516 .16135 .01553             .0017  .0004   .004 -.0001  .0003      0
O4   .25484 .16130 .48427             .0017  .0004   .004  .0002 -.0001      0
O5   .00154 .08890 .24880             .0015  .0005  .0093      0      0 -.0001
O6   .02145 .24922 .24983              .002  .0004  .0043      0      0  .0002
O7   .52692 .10029 .24970             .0016  .0004  .0045      0  .0001 -.0001
Si1  .13411 .16605 .24959 .947        .0012  .0003  .0035      0  .0001      0
Al1  .13411 .16605 .24959 .053        .0012  .0003  .0035      0  .0001      0
Fe1  .39135      0 .24936  .71        .0062  .0004  .0139      0      0      0
Mg1  .39135      0 .24936 .105        .0062  .0004  .0139      0      0      0
Li1  .39135      0 .24936 .028        .0062  .0004  .0139      0      0      0
Zn1  .39135      0 .24936 .023        .0062  .0004  .0139      0      0      0
Al2  .39135      0 .24936 .043        .0062  .0004  .0139      0      0      0
Al3      .5 .17525      0  .96        .0017  .0004  .0033      0      0      0
Mg3      .5 .17525      0 .025        .0017  .0004  .0033      0      0      0
Fe3      .5 .17525      0 .015        .0017  .0004  .0033      0      0      0
Al4      .5 .17523     .5  .96        .0017  .0004  .0033      0  .0001      0
Mg4      .5 .17523     .5 .025        .0017  .0004  .0033      0  .0001      0
Fe4      .5 .17523     .5 .015        .0017  .0004  .0033      0  .0001      0
Al5  .26316 .41062 .25043 .963        .0017  .0005  .0055      0  .0001      0
Mg5  .26316 .41062 .25043 .007        .0017  .0005  .0055      0  .0001      0
Fe5  .26316 .41062 .25043  .03        .0017  .0005  .0055      0  .0001      0
Al6       0      0      0  .51        .0017  .0004  .0052      0  .0011      0
Mg6       0      0      0 .025        .0017  .0004  .0052      0  .0011      0
Al7       0      0     .5 .445        .0016  .0004  .0055      0 -.0011      0
Mg7       0      0     .5  .02        .0016  .0004  .0055      0 -.0011      0
Fe8      .5      0      0  .05  .997
Fe9      .5      0     .5 .045 1.181
H1     .125      0    .05   .4  2.43
H2     .125      0    .45  .35  3.98
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/15
Locality: Ticino River, Italy
_database_code_amcsd 0005331
7.8666 16.6198 5.6581 90 90.090 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23406      0 .96401            .0033  .0003  .0067      0  .0009      0
O2   .23529      0 .53415            .0034  .0003  .0065      0 -.0006      0
O3   .25518 .16149 .01542            .0014  .0004  .0032 -.0001  .0003      0
O4   .25489 .16130 .48404            .0015  .0004  .0031  .0001 -.0002      0
O5   .00179 .08905 .24767            .0013  .0004  .0082      0  .0001 -.0001
O6   .02149 .24923 .25016            .0018  .0003  .0033      0      0  .0002
O7   .52728 .10026 .24988            .0012  .0004  .0035      0  .0001 -.0001
Si1  .13417 .16612 .24913 .947       .0009  .0002  .0027      0  .0001      0
Al1  .13417 .16612 .24913 .053       .0009  .0002  .0027      0  .0001      0
Fe1  .39243      0 .24882  .71       .0057  .0003  .0128      0 -.0001      0
Mg1  .39243      0 .24882 .105       .0057  .0003  .0128      0 -.0001      0
Li1  .39243      0 .24882 .028       .0057  .0003  .0128      0 -.0001      0
Zn1  .39243      0 .24882 .023       .0057  .0003  .0128      0 -.0001      0
Al2  .39243      0 .24882 .043       .0057  .0003  .0128      0 -.0001      0
Al3      .5 .17520      0  .96       .0016  .0003  .0027      0      0      0
Mg3      .5 .17520      0 .025       .0016  .0003  .0027      0      0      0
Fe3      .5 .17520      0 .015       .0016  .0003  .0027      0      0      0
Al4      .5 .17501     .5  .96       .0015  .0003  .0026      0  .0001      0
Mg4      .5 .17501     .5 .025       .0015  .0003  .0026      0  .0001      0
Fe4      .5 .17501     .5 .015       .0015  .0003  .0026      0  .0001      0
Al5  .26367 .41049 .25082 .963       .0014  .0004  .0046      0  .0001      0
Mg5  .26367 .41049 .25082 .007       .0014  .0004  .0046      0  .0001      0
Fe5  .26367 .41049 .25082  .03       .0014  .0004  .0046      0  .0001      0
Al6       0      0      0  .54       .0014  .0003  .0043      0  .0011      0
Mg6       0      0      0 .025       .0014  .0003  .0043      0  .0011      0
Al7       0      0     .5 .415       .0017  .0003  .0047      0  -.001      0
Mg7       0      0     .5  .02       .0017  .0003  .0047      0  -.001      0
Fe8      .5      0      0 .055 .826
Fe9      .5      0     .5  .04  1.2
H1     .125      0    .05   .4  .01
H2     .125      0    .45  .35  .86
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/16
Locality: Ticino River, Italy
_database_code_amcsd 0005332
7.8663 16.62479 5.6601 90 90.100 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23408      0 .96371             .0034  .0003  .0068      0  .0008      0
O2   .23570      0 .53461             .0035  .0003   .007      0 -.0007      0
O3   .25543 .16154 .01531             .0014  .0004  .0035 -.0002  .0002      0
O4   .25484 .16135 .48398             .0016  .0004  .0036  .0002 -.0003      0
O5   .00164 .08897 .24731             .0013  .0004  .0087      0 -.0002 -.0001
O6   .02154 .24918 .25001             .0019  .0003  .0036      0 -.0001  .0002
O7   .52698 .10026 .24947             .0013  .0004  .0036      0 -.0002 -.0001
Si1  .13413 .16604 .24919 .947         .001  .0003   .003      0      0      0
Al1  .13413 .16604 .24919 .053         .001  .0003   .003      0      0      0
Fe1  .39155      0 .24885  .71        .0062  .0004  .0123      0 -.0002      0
Mg1  .39155      0 .24885 .105        .0062  .0004  .0123      0 -.0002      0
Li1  .39155      0 .24885 .028        .0062  .0004  .0123      0 -.0002      0
Zn1  .39155      0 .24885 .023        .0062  .0004  .0123      0 -.0002      0
Al2  .39155      0 .24885 .043        .0062  .0004  .0123      0 -.0002      0
Al3      .5 .17525      0  .96        .0016  .0003   .003      0 -.0001      0
Mg3      .5 .17525      0 .025        .0016  .0003   .003      0 -.0001      0
Fe3      .5 .17525      0 .015        .0016  .0003   .003      0 -.0001      0
Al4      .5 .17517     .5  .96        .0015  .0004  .0029      0      0      0
Mg4      .5 .17517     .5 .025        .0015  .0004  .0029      0      0      0
Fe4      .5 .17517     .5 .015        .0015  .0004  .0029      0      0      0
Al5  .26338 .41069 .25087 .963        .0015  .0004   .005      0      0      0
Mg5  .26338 .41069 .25087 .007        .0015  .0004   .005      0      0      0
Fe5  .26338 .41069 .25087  .03        .0015  .0004   .005      0      0      0
Al6       0      0      0  .54        .0017  .0004  .0047      0  .0007      0
Mg6       0      0      0 .025        .0017  .0004  .0047      0  .0007      0
Al7       0      0     .5 .415        .0016  .0003  .0051      0 -.0014      0
Mg7       0      0     .5  .02        .0016  .0003  .0051      0 -.0014      0
Fe8      .5      0      0 .055 1.199
Fe9      .5      0     .5  .04 1.794
H1     .125      0    .05   .4   .01
H2     .125      0    .45  .35   .29
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/5g
Locality: Ticino River, Italy
_database_code_amcsd 0005333
7.8667 16.6113 5.6543 90 90.159 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23324      0 .96352             .003  .0004  .0061      0  .0014      0
O2   .23564      0 .53355            .0036  .0004   .006      0 -.0007      0
O3   .25564 .16165 .01487            .0015  .0004  .0033 -.0002  .0002 -.0001
O4   .25482 .16131 .48407            .0016  .0004  .0033  .0002 -.0001 -.0001
O5   .00189 .08900 .24571            .0014  .0004  .0079      0      0 -.0001
O6   .02142 .24943 .25007            .0019  .0003  .0033      0      0  .0002
O7   .52740 .10001 .24939            .0015  .0004  .0033      0      0 -.0001
Si1  .13424 .16621 .24896 .947        .001  .0003  .0026      0      0      0
Al1  .13424 .16621 .24896 .053        .001  .0003  .0026      0      0      0
Fe1  .39325      0 .24807  .65       .0052  .0003  .0127      0  .0001      0
Mg1  .39325      0 .24807 .105       .0052  .0003  .0127      0  .0001      0
Li1  .39325      0 .24807 .035       .0052  .0003  .0127      0  .0001      0
Zn1  .39325      0 .24807 .025       .0052  .0003  .0127      0  .0001      0
Al2  .39325      0 .24807  .07       .0052  .0003  .0127      0  .0001      0
Al3      .5 .17507      0 .967       .0016  .0003  .0027      0      0      0
Mg3      .5 .17507      0 .023       .0016  .0003  .0027      0      0      0
Fe3      .5 .17507      0  .01       .0016  .0003  .0027      0      0      0
Al4      .5 .17466     .5 .967       .0015  .0004  .0025      0  .0001      0
Mg4      .5 .17466     .5 .023       .0015  .0004  .0025      0  .0001      0
Fe4      .5 .17466     .5  .01       .0015  .0004  .0025      0  .0001      0
Al5  .26378 .41031 .25145 .969       .0016  .0004  .0044      0  .0001      0
Mg5  .26378 .41031 .25145 .006       .0016  .0004  .0044      0  .0001      0
Fe5  .26378 .41031 .25145 .025       .0016  .0004  .0044      0  .0001      0
Al6       0      0      0   .6       .0017  .0004  .0048      0  .0011      0
Mg6       0      0      0  .03       .0017  .0004  .0048      0  .0011      0
Al7       0      0     .5 .355       .0018  .0003  .0042      0 -.0014      0
Mg7       0      0     .5 .015       .0018  .0003  .0042      0 -.0014      0
Fe8      .5      0      0 .055 .698
Fe9      .5      0     .5  .04 1.96
H1     .125      0    .05  .35 1.09
H2     .125      0    .45   .4  .01
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/2
Locality: Ticino River, Italy
_database_code_amcsd 0005334
7.8639 16.6189 5.6589 90 90.169 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23340      0 .96302             .0032  .0003  .0069      0  .0012      0
O2   .23618      0 .53372             .0037  .0003  .0069      0 -.0004      0
O3   .25552 .16153 .01537             .0015  .0004  .0035 -.0002  .0003      0
O4   .25437 .16126 .48387             .0017  .0004  .0035  .0002 -.0002 -.0001
O5   .00177 .08894 .24523             .0014  .0004  .0085      0      0 -.0001
O6   .02154 .24918 .24963             .0019  .0003  .0038      0      0  .0002
O7   .52700 .10039 .24952             .0014  .0004  .0036      0      0      0
Si1  .13413 .16602 .24851 .947         .001  .0002  .0029      0      0      0
Al1  .13413 .16602 .24851 .053         .001  .0002  .0029      0      0      0
Fe1  .39198      0 .24777  .69        .0062  .0003  .0124      0 -.0003      0
Mg1  .39198      0 .24777 .095        .0062  .0003  .0124      0 -.0003      0
Zn1  .39198      0 .24777  .01        .0062  .0003  .0124      0 -.0003      0
Al2  .39198      0 .24777  .13        .0062  .0003  .0124      0 -.0003      0
Al3      .5 .17527      0 .972        .0016  .0003  .0027      0  .0001      0
Mg3      .5 .17527      0  .02        .0016  .0003  .0027      0  .0001      0
Fe3      .5 .17527      0 .008        .0016  .0003  .0027      0  .0001      0
Al4      .5 .17510     .5 .972        .0015  .0003  .0027      0  .0002      0
Mg4      .5 .17510     .5  .02        .0015  .0003  .0027      0  .0002      0
Fe4      .5 .17510     .5 .008        .0015  .0003  .0027      0  .0002      0
Al5  .26336 .41067 .25170 .971        .0015  .0004  .0049      0  .0001      0
Mg5  .26336 .41067 .25170 .005        .0015  .0004  .0049      0  .0001      0
Fe5  .26336 .41067 .25170 .024        .0015  .0004  .0049      0  .0001      0
Al6       0      0      0  .52        .0016  .0003  .0042      0   .001      0
Mg6       0      0      0 .025        .0016  .0003  .0042      0   .001      0
Fe6       0      0      0 .038        .0016  .0003  .0042      0   .001      0
Al7       0      0     .5   .3        .0015  .0003  .0042      0 -.0014      0
Mg7       0      0     .5 .015        .0015  .0003  .0042      0 -.0014      0
Fe7       0      0     .5 .023        .0015  .0003  .0042      0 -.0014      0
Fe8      .5      0      0 .055  .751
Fe9      .5      0     .5  .02 1.802
H1     .125      0    .05  .35  2.26
H2     .125      0    .45   .4  1.15
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/6-1
Locality: Ticino River, Italy
_database_code_amcsd 0005335
7.8689 16.6202 5.6594 90 90.173 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23354      0 .96312            .0031  .0003  .0066      0   .001      0
O2   .23630      0 .53289            .0035  .0003  .0069      0 -.0005      0
O3   .25557 .16156 .01516            .0014  .0004  .0036 -.0002  .0002      0
O4   .25458 .16122 .48401            .0016  .0004  .0036  .0002 -.0002      0
O5   .00170 .08903 .24528            .0012  .0005  .0083      0      0 -.0001
O6   .02136 .24929 .24975            .0017  .0003  .0038      0      0  .0002
O7   .52705 .10013 .24939            .0013  .0004  .0038      0      0 -.0001
Si1  .13419 .16612 .24845 .947       .0008  .0003  .0033      0      0      0
Al1  .13419 .16612 .24845 .053       .0008  .0003  .0033      0      0      0
Fe1  .39191      0 .24727  .69       .0055  .0004  .0129      0 -.0002      0
Mg1  .39191      0 .24727 .095       .0055  .0004  .0129      0 -.0002      0
Zn1  .39191      0 .24727  .01       .0055  .0004  .0129      0 -.0002      0
Al2  .39191      0 .24727  .13       .0055  .0004  .0129      0 -.0002      0
Al3      .5 .17522      0 .972       .0015  .0004  .0032      0 -.0001      0
Mg3      .5 .17522      0  .02       .0015  .0004  .0032      0 -.0001      0
Fe3      .5 .17522      0 .008       .0015  .0004  .0032      0 -.0001      0
Al4      .5 .17498     .5 .972       .0015  .0004  .0032      0  .0001      0
Mg4      .5 .17498     .5  .02       .0015  .0004  .0032      0  .0001      0
Fe4      .5 .17498     .5 .008       .0015  .0004  .0032      0  .0001      0
Al5  .26351 .41053 .25169 .971       .0012  .0004  .0048      0      0      0
Mg5  .26351 .41053 .25169 .005       .0012  .0004  .0048      0      0      0
Fe5  .26351 .41053 .25169 .024       .0012  .0004  .0048      0      0      0
Al6       0      0      0  .53       .0015  .0004  .0051      0  .0009      0
Mg6       0      0      0 .025       .0015  .0004  .0051      0  .0009      0
Fe6       0      0      0  .04       .0015  .0004  .0051      0  .0009      0
Al7       0      0     .5  .29       .0014  .0004  .0045      0 -.0013      0
Mg7       0      0     .5 .015       .0014  .0004  .0045      0 -.0013      0
Fe7       0      0     .5  .02       .0014  .0004  .0045      0 -.0013      0
Fe8      .5      0      0 .055 .886
Fe9      .5      0     .5  .02 1.01
H1     .125      0    .05  .35 5.88
H2     .125      0    .45   .4 3.72
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/8
Locality: Ticino River, Italy
_database_code_amcsd 0005336
7.8692 16.60719 5.6576 90 90.219 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23339      0 .96277             .0031  .0003  .0067      0  .0009      0
O2   .23640      0 .53212             .0034  .0004  .0068      0 -.0005      0
O3   .25566 .16152 .01540             .0015  .0004  .0036 -.0002  .0003      0
O4   .25422 .16122 .48370             .0016  .0004  .0037  .0002 -.0001      0
O5   .00165 .08903 .24470             .0014  .0004   .008      0  .0001 -.0001
O6   .02168 .24932 .24941             .0018  .0003  .0039  .0001  .0001  .0002
O7   .52718 .09990 .24931             .0015  .0004   .004      0      0 -.0001
Si1  .13410 .16613 .24826  .95         .001  .0003   .003      0      0      0
Al1  .13410 .16613 .24826  .05         .001  .0003   .003      0      0      0
Fe1  .39184      0 .24624  .62        .0049  .0004  .0132      0 -.0003      0
Mg1  .39184      0 .24624  .11        .0049  .0004  .0132      0 -.0003      0
Zn1  .39184      0 .24624 .135        .0049  .0004  .0132      0 -.0003      0
Li1  .39184      0 .24624  .04        .0049  .0004  .0132      0 -.0003      0
Al3      .5 .17498      0 .972        .0016  .0004  .0031      0      0      0
Mg3      .5 .17498      0 .023        .0016  .0004  .0031      0      0      0
Fe3      .5 .17498      0 .005        .0016  .0004  .0031      0      0      0
Al4      .5 .17484     .5 .972        .0016  .0004  .0031      0  .0002      0
Mg4      .5 .17484     .5 .023        .0016  .0004  .0031      0  .0002      0
Fe4      .5 .17484     .5 .005        .0016  .0004  .0031      0  .0002      0
Al5  .26323 .41049 .25193  .98        .0015  .0004  .0048  .0001  .0001      0
Mg5  .26323 .41049 .25193 .007        .0015  .0004  .0048  .0001  .0001      0
Fe5  .26323 .41049 .25193 .013        .0015  .0004  .0048  .0001  .0001      0
Al6       0      0      0  .63        .0017  .0004   .005      0   .001      0
Mg6       0      0      0  .03        .0017  .0004   .005      0   .001      0
Al7       0      0     .5 .325        .0017  .0004  .0046      0  -.001      0
Mg7       0      0     .5 .015        .0017  .0004  .0046      0  -.001      0
Fe8      .5      0      0  .07  .974
Fe9      .5      0     .5 .025 1.392
H1     .125      0    .05   .4   .19
H2     .125      0    .45  .35    .7
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: MAR/21
Locality: Ticino River, Italy
_database_code_amcsd 0005337
7.8630 16.6189 5.6581 90 90.286 90 C2/m
atom      x      y      z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23225      0 .96201            .0028  .0003  .0062      0   .001      0
O2   .23727      0 .53239            .0037  .0004  .0065      0 -.0003      0
O3   .25595 .16154 .01474            .0013  .0004  .0036 -.0002  .0002 -.0001
O4   .25403 .16109 .48371            .0016  .0004  .0035  .0002 -.0003      0
O5   .00171 .08882 .24190            .0013  .0004  .0075      0 -.0001 -.0001
O6   .02130 .24915 .24190            .0018  .0003  .0037  .0001 -.0002  .0002
O7   .52695 .10027 .24909            .0013  .0004  .0039  .0001 -.0002 -.0001
Si1  .13415 .16600 .24742 .967        .001  .0002  .0028      0 -.0001      0
Al1  .13415 .16600 .24742 .033        .001  .0002  .0028      0 -.0001      0
Fe1  .39176      0 .24621 .683        .006  .0004  .0109      0 -.0006      0
Mg1  .39176      0 .24621   .1        .006  .0004  .0109      0 -.0006      0
Zn1  .39176      0 .24621  .01        .006  .0004  .0109      0 -.0006      0
Li1  .39176      0 .24621 .053        .006  .0004  .0109      0 -.0006      0
Al2  .39176      0 .24621 .095        .006  .0004  .0109      0 -.0006      0
Al3      .5 .17533      0 .955       .0016  .0004  .0032      0 -.0001      0
Mg3      .5 .17533      0 .021       .0016  .0004  .0032      0 -.0001      0
Fe2      .5 .17533      0 .024       .0016  .0004  .0032      0 -.0001      0
Al4      .5 .17507     .5 .955       .0017  .0004   .003      0      0      0
Mg4      .5 .17507     .5 .021       .0017  .0004   .003      0      0      0
Fe3      .5 .17507     .5 .024       .0017  .0004   .003      0      0      0
Al5  .26323 .41069 .25292 .961       .0015  .0004  .0049      0 -.0001      0
Mg5  .26323 .41069 .25292 .006       .0015  .0004  .0049      0 -.0001      0
Fe4  .26323 .41069 .25292 .033       .0015  .0004  .0049      0 -.0001      0
Al6       0      0      0  .67       .0017  .0003  .0047      0   .001      0
Mg6       0      0      0  .03       .0017  .0003  .0047      0   .001      0
Fe5       0      0      0 .015       .0017  .0003  .0047      0   .001      0
Al7       0      0     .5  .25        .001  .0004  .0047      0 -.0019      0
Mg7       0      0     .5  .01        .001  .0004  .0047      0 -.0019      0
Fe6       0      0     .5 .005        .001  .0004  .0047      0 -.0019      0
Fe7      .5      0      0  .06 .732
Fe8      .5      0     .5  .01 .558
H1     .125      0    .45  .75 3.36
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: 85DM66b
Locality: Dora Maira, Italy
_database_code_amcsd 0005338
7.8706 16.5411 5.6323 90 90.007 90 C2/m
atom      x      y      z  occ  Biso
O1   .23339      0 .96277       .742
O2   .23640      0 .53212       .618
O3   .25566 .16152 .01540       .347
O4   .25422 .16122 .48370       .336
O5   .00165 .08903 .24470       .544
O6   .02168 .24932 .24941       .367
O7   .52718 .09990 .24931       .366
Si1  .13410 .16613 .24826 .995  .282
Al1  .13410 .16613 .24826 .005  .282
Mg1  .39184      0 .24624  .55 1.222
Zn1  .39184      0 .24624 .005 1.222
Li1  .39184      0 .24624 .235 1.222
Al3      .5 .17498      0 .972  .368
Mg3      .5 .17498      0 .018  .368
Fe3      .5 .17498      0  .01  .368
Al4      .5 .17484     .5 .972  .413
Mg4      .5 .17484     .5 .018  .413
Fe4      .5 .17484     .5  .01  .413
Al5  .26323 .41049 .25193  .98  .467
Mg5  .26323 .41049 .25193 .006  .467
Fe5  .26323 .41049 .25193 .014  .467
Al6       0      0      0 .495  .398
Mg6       0      0      0 .005  .398
Al7       0      0     .5 .495  .497
Mg7       0      0     .5 .005  .497
Fe8      .5      0      0  .26  .555
Fe9      .5      0     .5  .26  .757
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Staurolite
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Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
Download cm/vol31/CM31_551.pdf
The Canadian Mineralogist 31 (1993) 551-582
The crystal chemistry of staurolite. I. Crystal structure and site populations
Sample Code: BARR888
Locality: Barrhorn, Switzerland
_database_code_amcsd 0005339
7.8533 16.5344 5.6387 90 90.000 90 C2/m
atom      x      y      z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1   .23392      0 .96709              .003  .0005  .0074      0  .0015      0
O2   .23431      0 .53205              .003  .0005  .0071      0      0      0
O3   .25505 .16164 .01549             .0021  .0006  .0046 -.0002  .0006      0
O4   .25514 .16167 .48460             .0022  .0006  .0051  .0001  .0004      0
O5   .00178 .08902 .24928             .0017  .0006  .0097      0  .0005 -.0002
O6   .02145 .24994 .25009             .0018  .0005  .0049      0  .0006  .0002
O7   .52691 .09880 .25027             .0017  .0006   .005      0  .0007      0
Si1  .13403 .16646 .24996 .996        .0015  .0005  .0044      0  .0004      0
Al1  .13403 .16646 .24996 .004        .0015  .0005  .0044      0  .0004      0
Mg1  .38912      0 .24954 .047        .0033  .0005  .0136      0  .0004      0
Zn1  .38912      0 .24954 .613        .0033  .0005  .0136      0  .0004      0
Li1  .38912      0 .24954 .128        .0033  .0005  .0136      0  .0004      0
Al2  .38912      0 .24954 .043        .0033  .0005  .0136      0  .0004      0
Al3      .5 .17363      0 .994         .001  .0004  .0026      0  .0004      0
Fe3      .5 .17363      0 .006         .001  .0004  .0026      0  .0004      0
Al4      .5 .17368     .5 .994        .0012  .0005  .0033      0  .0004      0
Fe4      .5 .17368     .5 .006        .0012  .0005  .0033      0  .0004      0
Al5  .26330 .41038 .25012 .986        .0018  .0004  .0042      0  .0005      0
Fe5  .26330 .41038 .25012 .014        .0018  .0004  .0042      0  .0005      0
Al6       0      0      0 .463         .001  .0005  .0049      0  .0013      0
Al7       0      0     .5 .463        .0008  .0004  .0033      0 -.0001      0
Fe8      .5      0      0 .048 1.111
Fe9      .5      0     .5 .048 1.015
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 25 C
_database_code_amcsd 0005371
7.864 16.619 5.659 90 90.17 90 C2/m
atom       x      y      z occ Biso
SiT1  .13413 .16602 .24851 .95  .29
AlT1  .13413 .16602 .24851 .05  .29
FeT2  .39198      0 .24777 .69 1.17
ZnT2  .39198      0 .24777 .01 1.17
MgT2  .39198      0 .24777 .10 1.17
AlT2  .39198      0 .24777 .13 1.17
AlM1A     .5 .17527      0 .97  .36
MgM1A     .5 .17527      0 .02  .36
FeM1A     .5 .17527      0 .01  .36
AlM1B     .5 .17510     .5 .97  .36
MgM1B     .5 .17510     .5 .02  .36
FeM1B     .5 .17510     .5 .01  .36
AlM2  .26336 .41067 .25170 .97  .47
MgM2  .26336 .41067 .25170 .01  .47
FeM2  .26336 .41067 .25170 .02  .47
AlM3A      0      0      0 .82  .43
MgM3A      0      0      0 .04  .43
FeM3A      0      0      0 .06  .43
AlM3B      0      0     .5 .82  .42
MgM3B      0      0     .5 .04  .42
FeM3B      0      0     .5 .06  .42
FeM4A     .5      0      0 .04  .75
FeM4B     .5      0     .5 .04  .80
O1A   .23340      0 .96302  .5  .67
OH1A  .23340      0 .96302  .5  .67
O1B   .23618      0 .53372  .5  .72
OH1B  .23618      0 .53372  .5  .72
O2A   .25552 .16153 .01537      .41
O2B   .25437 .16126 .48387      .43
O3    .00177 .08894 .24523      .63
O4    .02154 .24918 .24963      .42
O5    .52700 .10039 .24952      .40
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 500 C, 5 h heating
_database_code_amcsd 0005372
7.866 16.621 5.658 90 90.15 90 C2/m
atom       x      y      z occ Biso
SiT1  .13412 .16610 .24881 .95  .31
AlT1  .13412 .16610 .24881 .05  .31
FeT2  .39153      0 .24839 .64 1.15
AlT2  .39153      0 .24839 .14 1.15
MgT2  .39153      0 .24839 .09 1.15
ZnT2  .39153      0 .24839 .01 1.15
AlT3  .13363      0 .25193 .03  .39
FeT3  .13363      0 .25193 .01  .39
AlM1A     .5 .17520      0 .97  .35
MgM1A     .5 .17520      0 .02  .35
FeM1A     .5 .17520      0 .01  .35
AlM1B     .5 .17507     .5 .97  .39
MgM1B     .5 .17507     .5 .02  .39
FeM1B     .5 .17507     .5 .01  .39
FeM2  .26338 .41702 .25133 .04  .49
AlM2  .26338 .41702 .25133 .96  .49
AlM3A      0      0      0 .77  .50
MgM3A      0      0      0 .04  .50
FeM3A      0      0      0 .06  .50
AlM3B      0      0     .5 .77  .43
MgM3B      0      0     .5 .04  .43
FeM3B      0      0     .5 .06  .43
FeM4A     .5      0      0 .04  .85
MgM4A     .5      0      0 .01  .85
FeM4B     .5      0     .5 .04  .88
MgM4B     .5      0     .5 .01  .88
O1A   .23396      0 .96357  .5  .68
O1B   .23602      0 .53370  .5  .73
O2A   .25536 .16157 .01501  .5  .43
O2B   .25440 .16130 .48344  .5  .46
O3    .00187 .08916 .24666      .66
O4    .02169 .24925 .24970      .42
O5    .52714 .10039 .24964      .41
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 500 C, 5+5 h heating
_database_code_amcsd 0005373
7.866 16.621 5.658 90 90.15 90 C2/m
atom       x      y      z occ Biso
SiT1  .13412 .16611 .24884 .95  .31
AlT1  .13412 .16611 .24884 .05  .31
FeT2  .39154      0 .24821 .59 1.16
AlT2  .39154      0 .24821 .15 1.16
MgT2  .39154      0 .24821 .09 1.16
ZnT2  .39154      0 .24821 .01 1.16
FeT3  .13932      0 .24292 .03  .42
AlT3  .13932      0 .24292 .07  .42
AlM1A     .5 .17508      0 .97  .40
MgM1A     .5 .17508      0 .01  .40
FeM1A     .5 .17508      0 .02  .40
AlM1B     .5 .17510     .5 .97  .42
MgM1B     .5 .17510     .5 .01  .42
FeM1B     .5 .17510     .5 .02  .42
AlM2  .26336 .41071 .25142 .95  .51
FeM2  .26336 .41071 .25142 .05  .51
AlM3A      0      0      0 .73  .45
MgM3A      0      0      0 .04  .45
FeM3A      0      0      0 .06  .45
AlM3B      0      0     .5 .73  .43
MgM3B      0      0     .5 .04  .43
FeM3B      0      0     .5 .06  .43
FeM4A     .5      0      0 .05  .85
MgM4A     .5      0      0 .02  .85
FeM4B     .5      0     .5 .05 1.01
MgM4B     .5      0     .5 .02 1.01
O1A   .23391      0 .96353  .5  .67
O1B   .23608      0 .53377  .5  .75
O2A   .25544 .16161 .01526  .5  .43
O2B   .25444 .16136 .48402  .5  .45
O3    .00146 .08897 .24630      .65
O4    .02161 .24933 .24954      .43
O5    .52706 .10021 .24957      .42
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 600 C
_database_code_amcsd 0005374
7.865 16.612 5.648 90 90.04 90 C2/m
atom       x      y      z occ Biso
SiT1  .13432 .16631 .24962 .95  .32
AlT1  .13432 .16631 .24962 .05  .32
FeT2  .38949      0 .24965 .55 1.15
AlT2  .38949      0 .24965 .15 1.15
MgT2  .38949      0 .24965 .09 1.15
ZnT2  .38949      0 .24965 .01 1.15
FeT3  .12856      0 .25020 .04  .39
AlT3  .12856      0 .25020 .10  .39
AlM1A     .5 .17480      0 .97  .39
MgM1A     .5 .17480      0 .01  .39
FeM1A     .5 .17480      0 .02  .39
AlM1B     .5 .17481     .5 .97  .39
MgM1B     .5 .17481     .5 .01  .39
FeM1B     .5 .17481     .5 .02  .39
AlM2  .26355 .41100 .25035 .94  .53
FeM2  .26355 .41100 .25035 .06  .53
AlM3A      0      0      0 .68  .45
MgM3A      0      0      0 .04  .45
FeM3A      0      0      0 .06  .45
AlM3B      0      0     .5 .68  .44
MgM3B      0      0     .5 .04  .44
FeM3B      0      0     .5 .06  .44
FeM4A     .5      0      0 .05 1.00
MgM4A     .5      0      0 .04 1.00
FeM4B     .5      0     .5 .05 1.04
MgM4B     .5      0     .5 .04 1.04
O1A   .23536      0 .96507  .5  .74
O1B   .23581      0 .53402  .5  .77
O2A   .25517 .16153 .01533  .5  .44
O2B   .25482 .16153 .48456  .5  .44
O3    .00196 .08917 .24895      .64
O4    .02150 .24930 .24974      .43
O5    .52677 .09984 .24991      .43
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 700 C
_database_code_amcsd 0005375
7.867 16.619 5.625 90 90.00 90 C2/m
atom       x      y      z occ Biso
SiT1  .13470 .16720 .25002 .95  .38
AlT1  .13470 .16720 .25002 .05  .38
FeT2  .38248      0 .25001  .5  .83
AlT2  .38248      0 .25001 .16  .83
MgT2  .38248      0 .25001 .08  .83
ZnT2  .38248      0 .25001 .01  .83
FeT3  .12508      0 .24989 .06  .44
AlT3  .12508      0 .24989 .11  .44
AlM1A     .5 .17407      0 .97  .40
MgM1A     .5 .17407      0 .01  .40
FeM1A     .5 .17407      0 .02  .40
AlM1B     .5 .17407     .5 .97  .41
MgM1B     .5 .17407     .5 .01  .41
FeM1B     .5 .17407     .5 .02  .41
AlM2  .26365 .41202    .25 .94  .54
FeM2  .26365 .41202    .25 .06  .54
AlM3A      0      0      0 .63  .48
MgM3A      0      0      0 .04  .48
FeM3A      0      0      0 .06  .48
AlM3B      0      0     .5 .63  .49
MgM3B      0      0     .5 .04  .49
FeM3B      0      0     .5 .06  .49
FeM4A     .5      0      0 .05  .85
MgM4A     .5      0      0 .05  .85
FeM4B     .5      0     .5 .05  .86
MgM4B     .5      0     .5 .05  .86
O1A   .23706      0 .96789  .5  .84
OH1A  .23706      0 .96789  .5  .84
O1B   .23697      0 .53201  .5  .84
OH1B  .23697      0 .53201  .5  .84
O2A   .25556 .16179 .01475      .46
O2B   .25553 .16181 .48524      .46
O3    .00258 .09003    .25      .69
O4    .02143 .24994 .25002      .45
O5    .52524 .09861 .24996      .47
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 800 C
_database_code_amcsd 0005376
7.861 16.638 5.604 90 90.00 90 C2/m
atom       x      y      z occ Biso
SiT1  .13490 .16813 .25002 .95  .41
AlT1  .13490 .16813 .25002 .05  .41
FeT2  .38002      0 .25001 .45  .53
AlT2  .38002      0 .25001 .17  .53
MgT2  .38002      0 .25001 .08  .53
ZnT2  .38002      0 .25001 .01  .53
FeT3  .12597      0 .25006 .07  .47
AlT3  .12597      0 .25006 .16  .47
AlM1A     .5 .17342      0 .97  .42
FeM1A     .5 .17342      0 .03  .42
AlM1B     .5 .17340     .5 .97  .42
FeM1B     .5 .17340     .5 .03  .42
AlM2  .26418 .41266 .24997 .93  .57
FeM2  .26418 .41266 .24997 .07  .57
AlM3A      0      0      0 .59  .46
MgM3A      0      0      0 .04  .46
FeM3A      0      0      0 .06  .46
AlM3B      0      0     .5 .59  .48
MgM3B      0      0     .5 .04  .48
FeM3B      0      0     .5 .06  .48
FeM4A     .5      0      0 .06  .86
MgM4A     .5      0      0 .06  .86
FeM4B     .5      0     .5 .06  .89
MgM4B     .5      0     .5 .06  .89
O1A   .23846      0 .97078  .5  .85
OH1A  .23846      0 .97078  .5  .85
O1B   .23845      0 .52943  .5  .84
OH1B  .23845      0 .52943  .5  .84
O2A   .25579 .16199 .01422      .48
O2B   .25582 .16198 .48579      .48
O3    .00355 .09087 .25010      .70
O4    .02109 .25054 .25005      .46
O5    .52420 .09770    .25      .51
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 900 C
_database_code_amcsd 0005377
7.860 16.645 5.606 90 90.00 90 C2/m
atom       x      y      z occ Biso
SiT1  .13490 .16817 .24998 .95  .42
AlT1  .13490 .16817 .24998 .05  .42
FeT2  .38022      0 .25007 .40  .59
ZnT2  .38022      0 .25007 .01  .59
MgT2  .38022      0 .25007 .08  .59
AlT2  .38022      0 .25007 .18  .59
FeT3  .12589      0 .25012 .09  .50
AlT3  .12589      0 .25012 .20  .50
AlM1A     .5 .17339      0 .97  .42
FeM1A     .5 .17339      0 .03  .42
AlM1B     .5 .17338     .5 .97  .42
FeM1B     .5 .17338     .5 .03  .42
AlM2  .26421 .41261 .24999 .92  .57
FeM2  .26421 .41261 .24999 .08  .57
AlM3A      0      0      0 .54  .48
MgM3A      0      0      0 .04  .48
FeM3A      0      0      0 .06  .48
AlM3B      0      0     .5 .54  .48
MgM3B      0      0     .5 .04  .48
FeM3B      0      0     .5 .06  .48
FeM4A     .5      0      0 .06  .88
MgM4A     .5      0      0 .07  .88
FeM4B     .5      0     .5 .06  .91
MgM4B     .5      0     .5 .07  .91
O1A   .23849      0 .97081  .5  .89
OH1A  .23849      0 .97081  .5  .89
O1B   .23862      0 .52906  .5  .87
OH1B  .23862      0 .52906  .5  .87
O2A   .25573 .16200 .01427      .48
O2B   .25572 .16198 .48573      .48
O3    .00353 .09094 .24983      .71
O4    .02112 .25059 .25013      .46
O5    .52428 .09755 .25002      .52
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Staurolite
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Caucia F, Callegari A, Oberti R, Ungaretti L, Hawthorne F C
Download cm/vol32/CM32_477.pdf
The Canadian Mineralogist 32 (1994) 477-489
Structural aspects of oxidation-dehydrogenation in staurolite
Sample: T = 950 C
_database_code_amcsd 0005378
7.860 16.645 5.606 90 90.00 90 C2/m
atom       x      y      z occ Biso
SiT1  .13489 .16811    .25 .95  .37
AlT1  .13489 .16811    .25 .05  .37
FeT2  .38015      0 .25002 .36  .56
AlT2  .38015      0 .25002 .19  .56
MgT2  .38015      0 .25002 .07  .56
ZnT2  .38015      0 .25002 .01  .56
FeT3  .12589      0 .25010 .10  .46
AlT3  .12589      0 .25010 .23  .46
AlM1A     .5 .17345      0 .97  .38
FeM1A     .5 .17345      0 .03  .38
AlM1B     .5 .17345     .5 .97  .42
FeM1B     .5 .17345     .5 .03  .42
AlM2  .26424 .41259 .24997 .91  .53
FeM2  .26424 .41259 .24997 .09  .53
AlM3A      0      0      0 .49  .41
MgM3A      0      0      0 .04  .41
FeM3A      0      0      0 .06  .41
AlM3B      0      0     .5 .49  .42
MgM3B      0      0     .5 .04  .42
FeM3B      0      0     .5 .06  .42
FeM4A     .5      0      0 .07  .95
MgM4A     .5      0      0 .08  .95
FeM4B     .5      0     .5 .07  .90
MgM4B     .5      0     .5 .08  .90
O1A   .23863      0 .97069  .5  .84
OH1A  .23863      0 .97069  .5  .84
O1B   .23863      0 .52918  .5  .84
OH1B  .23863      0 .52918  .5  .84
O2A   .25582 .16199 .01430      .44
O2B   .25591 .16204 .48559      .44
O3    .00352 .09093 .24994      .67
O4    .02114 .25056 .24988      .42
O5    .52433 .09780 .24995      .47
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Staurolite
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Hawthorne F C, Oberti R, Ungaretti L, Caucia F, Callegari A
Download cm/vol32/CM32_491.pdf
The Canadian Mineralogist 32 (1994) 491-495
Crystal-structure refinement of hydrogen-rich staurolite
Sample: S(43)
_database_code_amcsd 0005379
7.863 16.596 5.650 90 90.04 90 C2/m
atom       x      y      z occ Biso
SiT1  .13413 .16612 .24965 .96  .31
AlT1  .13413 .16612 .24965 .04  .31
FeT2  .39394      0 .24922 .64 1.21
MgT2  .39394      0 .24922 .01 1.21
LiT2  .39394      0 .24922 .13 1.21
AlT2  .39394      0 .24922 .03 1.21
AlM1a     .5 .17460      0 .98  .38
FeM1a     .5 .17460      0 .02  .38
AlM1b     .5 .17452     .5 .98  .38
FeM1b     .5 .17452     .5 .02  .38
AlM2  .26335 .41038 .25024 .98  .48
FeM2  .26335 .41038 .25024 .02  .48
AlM3a      0      0      0 .48  .43
AlM3b      0      0     .5 .48  .43
FeM4a     .5      0      0 .05  .76
FeM4b     .5      0     .5 .05  .83
O1a   .23371      0 .96473  .5  .66
OH1a  .23371      0 .96473  .5  .66
O1b   .23452      0 .53382  .5  .65
OH1b  .23452      0 .53382  .5  .65
O2a   .25522 .16147 .01526      .44
O2b   .25495 .16142 .48432      .43
O3    .00194 .08881 .24865      .62
O4    .02107 .24935 .24987      .42
O5    .52740 .10026 .24975      .39
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Staurolite
Download hom/staurolite.pdf
Hawthorne F C, Oberti R, Ungaretti L, Caucia F, Callegari A
Download cm/vol32/CM32_491.pdf
The Canadian Mineralogist 32 (1994) 491-495
Crystal-structure refinement of hydrogen-rich staurolite
Sample: S(44)
_database_code_amcsd 0005380
7.861 16.610 5.649 90 90.18 90 C2/m
atom       x      y      z occ Biso
SiT1  .13421 .16628 .24856 .96  .30
AlT1  .13421 .16628 .24856 .04  .30
FeT2  .39548      0 .24864 .65 1.08
MgT2  .39548      0 .24864 .05 1.08
LiT2  .39548      0 .24864 .07 1.08
AlM1a     .5 .17497      0 .98  .36
MgM1a     .5 .17497      0 .02  .36
AlM1b     .5 .17433     .5 .98  .36
MgM1b     .5 .17433     .5 .02  .36
AlM2  .26448 .41009 .25166 .99  .43
FeM2  .26448 .41009 .25166 .01  .43
AlM3a      0      0      0 .46  .42
MgM3a      0      0      0 .01  .42
AlM3b      0      0     .5 .46  .43
MgM3b      0      0     .5 .01  .43
FeM4a     .5      0      0 .10  .69
FeM4b     .5      0     .5 .10  .69
O1a   .23274      0 .96383  .5  .61
OH1a  .23274      0 .96383  .5  .61
O1b   .23511      0 .53346  .5  .65
OH1b  .23511      0 .53346  .5  .65
O2a   .25550 .16183 .01473      .42
O2b   .25483 .16142 .48408      .42
O3    .00222 .08912 .24540      .63
O4    .02126 .24948 .25018      .40
O5    .52773 .10014 .24911      .40
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Olshanskyite
Download hom/olshanskyite.pdf
Callegari A, Mazzi F, Tadini C
Download cm/vol39/CM39_137.pdf
The Canadian Mineralogist 39 (2001) 137-144
The crystal structure of olshanskyite
Locality: Fuka mine, Okayama Prefecture, Japan
_database_code_amcsd 0005707
7.953 9.873 7.362 111.00 94.65 107.53 P-1
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .08117 .03398 .25741  .75  .0093  .0101  .0093  .0035  .0024  .0042
Ca2  .11601 .67181 .41741  .82  .0095  .0084  .0129  .0031  .0022  .0039
B1    .2840  .0291  .6344  .66  .0078  .0069  .0098  .0023  .0021  .0028
B2    .2358  .2864  .6911  .68  .0084  .0077  .0091  .0028  .0014  .0029
B3    .5283  .2874  .8530  .73  .0081  .0083  .0100  .0025  .0015  .0026
O1    .2590 -.0683  .4197  .83  .0099  .0114  .0091  .0041  .0029  .0026
O2    .2003 -.0901  .7134  .87  .0123  .0100  .0108  .0020  .0024  .0057
O3    .1684  .1209  .6453  .78  .0072  .0070  .0145  .0025  .0023  .0035
O4    .1790  .3022  .5027  .95  .0125  .0121  .0106  .0024  .0004  .0057
O5    .1296  .3593  .8291  .87  .0120  .0099  .0115  .0050  .0042  .0034
O6    .4297  .3589  .7594  .79  .0074  .0084  .0131  .0015  .0007  .0043
O7    .7226  .3539  .8568 1.03  .0075  .0102  .0162  .0011  .0011  .0013
O8    .4976  .3171  .0597 1.22  .0237  .0117  .0111  .0064  .0054  .0046
O9    .4693  .1190  .7378  .80  .0072  .0073  .0133  .0022  .0008  .0020
O10   .0691  .1791  .0541 1.13  .0158  .0145  .0125  .0046  .0035  .0060
O11   .3587  .0524  .1249 1.65  .0153  .0314  .0235  .0094  .0076  .0186
O12  -.0500  .3918  .2696 1.28  .0191  .0115  .0171  .0057  .0020  .0049
O13   .3705  .6072  .5114 1.51  .0144  .0257  .0207  .0077  .0037  .0124
H1     .355  -.077   .376  3.4
H2     .248  -.063  -.167  3.1
H4     .246   .382   .491  3.1
H5     .100   .308  -.094  2.9
H7     .767   .446  -.049  2.6
H8     .502   .410   .115  2.9
H10    .182   .219   .066  3.4
H11a   .424   .128   .103  4.1
H11b   .431   .010   .166  4.7
H12a  -.001   .320   .199  4.0
H12b  -.140   .379   .180  3.9
H13a   .427   .648   .643  3.6
H13b   .452   .624   .431  3.3
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Kurchatovite
Download hom/kurchatovite.pdf
Callegari A, Mazzi F, Tadini C
 
European Journal of Mineralogy 15 (2003) 277-282
Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
Locality: Solongo, Siberia
_database_code_amcsd 0006973
36.34 11.135 5.499 90 90 90 Pbca
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .02961 .87294 .11592  .91  .0096  .0120  .0130  .0007  .0006  .0004
Ca2  .13593 .11800 .68468  .93  .0088  .0129  .0138  .0006 -.0007 -.0010
Ca3  .19752 .88076 .87266  .97  .0093  .0120  .0157  .0007 -.0004 -.0010
Mg1   .0792  .1282  .1395  .83  .0087  .0128  .0100 -.0004  .0002  .0003
Mg2   .0880  .8717  .6353  .84  .0087  .0129  .0102 -.0002  .0001  .0001
Mg3   .2456  .1309 -.0941  .80  .0089  .0112  .0103 -.0003  .0003 -.0005
B1    .0583  .1244  .6227  .86  .0106  .0103  .0118 -.0002  .0002  .0022
B2    .1084  .8845  .1419  .85  .0104  .0118  .0099  .0012 -.0003 -.0011
B3    .2238  .1164  .4063  .83  .0104  .0108  .0104  .0008 -.0001 -.0028
B4    .0038  .1198  .3488  .84  .0082  .0110  .0127 -.0009 -.0004  .0001
B5    .1634  .8770  .4040  .83  .0099  .0106  .0111 -.0015  .0003  .0006
B6    .1697  .1230  .1429  .78  .0097  .0089  .0110 -.0006  .0002  .0003
O1    .0730  .1981  .7933  .89  .0119  .0116  .0104 -.0007 -.0012 -.0002
O2    .0893  .8046  .2817  .90  .0102  .0123  .0118 -.0012  .0002 -.0002
O3    .2422  .1958  .2624  .91  .0104  .0126  .0118 -.0011  .0004  .0003
O4    .0801  .0500  .4882  .94  .0110  .0131  .0118  .0016 -.0006  .0004
O5    .0909 -.0442 -.0229  .98  .0123  .0138  .0113  .0015 -.0013 -.0004
O6    .2419  .0453  .5676  .98  .0118  .0135  .0118  .0017 -.0014 -.0008
O7    .0196  .1273  .5841 1.01  .0091  .0193  .0101  .0002  .0002 -.0012
O8    .1468  .8926  .1710 1.03  .0089  .0205  .0099 -.0022 -.0009  .0017
O9    .1852  .1090  .3791  .99  .0078  .0189  .0109 -.0005 -.0002  .0021
O10   .0232  .0822  .1522  .94  .0099  .0148  .0111 -.0002  .0007 -.0008
O11   .1447 -.0958  .6103  .94  .0107  .0145  .0106  .0006  .0009 -.0009
O12   .1891  .0906 -.0578  .93  .0088  .0141  .0123  .0003  .0005 -.0019
O13   .0316  .8415  .6682 1.11  .0076  .0193  .0154  .0010 -.0004 -.0008
O14   .1351  .1694  .1307 1.09  .0081  .0178  .0154  .0011  .0002 -.0008
O15   .1982  .8328  .4036 1.13  .0082  .0157  .0191  .0011 -.0005 -.0023
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Clinokurchatovite
Download hom/clinokurchatovite.pdf
Callegari A, Mazzi F, Tadini C
 
European Journal of Mineralogy 15 (2003) 277-282
Modular aspects of the crystal structures of kurchatovite and clinokurchatovite
Locality: Sayak, Kazackhstan
_database_code_amcsd 0006974
12.329 11.146 5.519 90 101.62 90 P2_1/c
atom      x      y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .08978 .87289 .15611  .62  .0072  .0072  .0091  .0008  .0019  .0006
Ca2  .40702 .11837 .86805  .64  .0067  .0077  .0095  .0006  .0006 -.0011
Mg1   .2373  .1279  .2478  .51  .0063  .0071  .0061 -.0002  .0017  .0000
Mg2   .2643  .8721  .7546  .51  .0059  .0073  .0064 -.0002  .0013  .0001
B1    .1739  .1246  .7014  .54  .0060  .0081  .0064 -.0004  .0012  .0016
B2    .3273  .8835  .2891  .55  .0071  .0075  .0061  .0009  .0012 -.0016
B3    .0105  .1195  .3531  .57  .0058  .0068  .0092 -.0001  .0018 -.0013
B4    .4913  .8757  .6263  .54  .0059  .0069  .0072 -.0009 -.0003  .0007
O1    .2179  .1975  .8926  .67  .0089  .0082  .0081 -.0016  .0013 -.0009
O2    .2688  .8045  .4026  .62  .0083  .0082  .0072 -.0022  .0019  .0005
O3    .2392  .0495  .5969  .65  .0095  .0085  .0072  .0011  .0026  .0001
O4    .2748 -.0444  .1015  .60  .0083  .0089  .0054  .0018  .0006  .0002
O5    .0576  .1278  .6089  .73  .0068  .0142  .0068  .0005  .0013 -.0026
O6    .4431  .8898  .3707  .72  .0056  .0159  .0054 -.0003  .0000  .0012
O7    .0692  .0821  .1837  .61  .0071  .0090  .0073  .0006  .0022 -.0012
O8    .4337 -.0936  .8033  .61  .0058  .0108  .0067  .0007  .0016 -.0006
O9    .0956  .8412  .7142  .70  .0052  .0091  .0120  .0013  .0006 -.0004
O10   .4045  .1694  .3183  .72  .0052  .0091  .0125  .0007  .0005 -.0004
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Aschamalmite
Download hom/aschamalmite.pdf
Callegari A M, Boiocchi M
 
Mineralogical Magazine 73 (2009) 83-94
Aschamalmite (Pb6Bi2S9): crystal structure and ordering scheme for Pb and Bi atoms
Locality: Susa Valley, Piedmont, Italy
_database_code_amcsd 0014588
13.719 4.132 31.419 90 90.94 90 C2/m
atom       x y     z occ  Uiso
PbMe1  .4215 0 .2462     .0364
PbMe2A    .5 0     0 .76 .0149
BiMe2A    .5 0     0 .24 .0149
PbMe2B    .5 0    .5 .86 .0145
BiMe2B    .5 0    .5 .14 .0145
PbMe3A .2298 0 .0580     .0163
PbMe3B .2279 0 .4419 .99 .0152
BiMe3B .2279 0 .4419 .01 .0152
BiMe4A .6883 0 .1749 .61 .0175
PbMe4A .6883 0 .1749 .39 .0175
BiMe4B .6773 0 .3253 .84 .0172
PbMe4B .6773 0 .3253 .16 .0172
PbMe5A .9601 0 .1188 .62 .0163
BiMe5A .9601 0 .1188 .38 .0163
BiMe5B .9523 0 .3803 .73 .0140
PbMe5B .9523 0 .3803 .27 .0140
S1A    .0552 0 .1948     .0205
S1B    .0381 0 .3047     .0249
S2A    .5891 0 .0858     .0198
S2B    .5812 0 .4132     .0199
S3     .7814 0 .2491     .0195
S4A    .3291 0 .1474     .0213
S4B    .3240 0 .3564     .0232
S5A    .8614 0 .0265     .0192
S5B    .8600 0 .4718     .0161
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Capranicaite
 
Callegari A M, Boiocchi M, Bellatreccia F, Caprilli E, Medenbach O, Cavallo A
 
Mineralogical Magazine 75 (2011) 33-43
Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica,
Italy, with a peculiar topology of the periodic single chain [Si2O6]
Locality: Vico volcanic complex, Capranica, Viterbo Province, Latium, Italy
_database_code_amcsd 0018373
4.8507 16.6156 20.5445 90 90.245 90 P2_1/n
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .8024 .8570 .2496     .0160  .0155  .0198  .0126 -.0027  .0007  .0000
Si2   .1980 .4693 .2506     .0151  .0135  .0187  .0129 -.0015  .0002  .0000
Al1   .2517 .5357 .3947     .0099  .0083  .0100  .0115 -.0001  .0002 -.0002
Al2   .2483 .5357 .1058     .0099  .0080  .0101  .0116 -.0002  .0001  .0005
Al3   .7544 .7945 .1044     .0107  .0116  .0083  .0122 -.0003  .0005 -.0003
Al4   .7456 .7951 .3954     .0106  .0115  .0083  .0118 -.0007  .0010  .0003
B1    .2542 .7072 .0809     .0155  .0067  .0057  .0343 -.0003  .0002 -.0011
B2    .2457 .7074 .4186     .0166  .0051  .0040  .0408  .0012  .0003  .0000
B3    .7489 .4582 .4295     .0105  .0107  .0111  .0097  .0006  .0002 -.0008
B4   -.2496 .4584 .0703     .0116  .0102  .0103  .0142 -.0001  .0003  .0004
CaM1  .7377 .6289 .0037 .60 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
NaM1  .7377 .6289 .0037 .40 .0138  .0140  .0131  .0144  .0000  .0002 -.0001
CaM2  .2395 .3706 .5038 .61 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
NaM2  .2395 .3706 .5038 .39 .0134  .0134  .0125  .0142  .0001 -.0001 -.0001
KA    .7125 .6337 .2500 .72 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
CsA   .7125 .6337 .2500 .07 .0600  .0587  .0243  .0970 -.0056  .0076  .0015
O1    .6193 .9387 .2484     .0304  .0136  .0288  .0487  .0007  .0011  .0016
O2    .1196 .8883 .2496     .0309  .0148  .0249  .0529 -.0020  .0012  .0007
O3    .7474 .8015 .1873     .0285  .0396  .0323  .0135 -.0067 -.0005 -.0032
O4    .7459 .8033 .3126     .0290  .0361  .0359  .0149 -.0067  .0005  .0038
O5    .2490 .5250 .1883     .0284  .0396  .0322  .0135 -.0049 -.0002  .0051
O6    .2570 .5256 .3121     .0289  .0392  .0343  .0132 -.0082  .0012 -.0031
O7    .5277 .7173 .4212     .0166  .0099  .0113  .0286 -.0008 -.0001  .0040
O8    .4265 .7727 .0724     .0164  .0128  .0118  .0245 -.0031 -.0022  .0045
O9    .9724 .7173 .0774     .0169  .0104  .0105  .0298  .0008 -.0006 -.0034
O10   .0730 .7729 .4273     .0172  .0130  .0127  .0257  .0032 -.0015 -.0046
O11   .0314 .4656 .4312     .0144  .0095  .0113  .0223  .0000  .0006  .0033
O12  -.0836 .5250 .0727     .0154  .0107  .0100  .0256 -.0017 -.0035  .0025
O13   .4690 .4660 .0690     .0155  .0090  .0123  .0252  .0005  .0000 -.0039
O14   .5844 .5251 .4275     .0160  .0102  .0119  .0259  .0015 -.0026 -.0018
O15   .6346 .8830 .4346     .0169  .0137  .0094  .0276 -.0016  .0059 -.0023
O16   .8666 .8830 .0662     .0162  .0144  .0083  .0259  .0018  .0051  .0015
O17   .1332 .6311 .4179     .0172  .0115  .0093  .0310 -.0013  .0025 -.0010
O18   .3680 .6313 .0836     .0180  .0115  .0111  .0313  .0004  .0023  .0017
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 25 C
Locality: Hungary
_database_code_amcsd 0018984
6.9749 6.9749 17.315 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .013   .014      0   .010   .007      0      0
NaA       0       0       0 .071 .013   .014      0   .010   .007      0      0
HA        0       0       0 .159 .013   .014      0   .010   .007      0      0
OA        0       0       0 .053 .013   .014      0   .010   .007      0      0
Al        0      .5      .5 .988 .006   .004   .005   .009      0      0   .002
S         0       0  .30282      .006   .006      0   .007   .003      0      0
O1        0       0  .38666      .011   .013      0   .007   .007      0      0
O2   .21823 -.21823 -.05997      .009   .011   .011   .010   .008      0      0
O3   .12604 -.12604  .14024      .008   .006   .006   .012   .003   .001   .001
H     .1879  -.1879   .1165      .030
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 100 C
Locality: Hungary
_database_code_amcsd 0018985
6.9771 6.9771 17.360 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .016   .017      0   .012   .009      0      0
NaA       0       0       0 .071 .016   .017      0   .012   .009      0      0
HA        0       0       0 .147 .016   .017      0   .012   .009      0      0
OA        0       0       0 .049 .016   .017      0   .012   .009      0      0
Al        0      .5      .5 .975 .007   .004   .006   .010   .002      0      0
S         0       0  .30257      .008   .008      0   .009   .004      0      0
O1        0       0  .38589      .013   .016      0   .009   .008      0      0
O2   .21840 -.21840 -.06021      .011   .013   .013   .012   .010      0      0
O3   .12598 -.12598  .14029      .010   .007   .007   .015   .003   .001   .001
H     .1830  -.1830   .1090      .034
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 200 C
Locality: Hungary
_database_code_amcsd 0018986
6.9806 6.9806 17.425 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .020   .023      0   .015   .011      0      0
NaA       0       0       0 .071 .020   .023      0   .015   .011      0      0
HA        0       0       0 .117 .020   .023      0   .015   .011      0      0
OA        0       0       0 .039 .020   .023      0   .015   .011      0      0
Al        0      .5      .5 .972 .008   .006   .007   .012   .003      0      0
S         0       0  .30215      .010   .010      0   .005   .009      0      0
O1        0       0  .38517      .017   .021      0   .009   .010      0      0
O2   .21847 -.21847 -.06042      .014   .017   .017   .014   .012   .001   .001
O3   .12604 -.12604  .14035      .012   .009   .009   .017   .004   .002   .002
H     .1835  -.1835   .1108      .037
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 300 C
Locality: Hungary
_database_code_amcsd 0018987
6.9859 6.9859 17.481 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .023   .027      0   .017   .013      0      0
NaA       0       0       0 .071 .023   .027      0   .017   .013      0      0
Al        0      .5      .5 .963 .010   .007   .009   .014   .003      0      0
S         0       0  .30179      .012   .012      0   .011   .006      0      0
O1        0       0  .38430      .021   .025      0   .011   .013      0      0
O2   .21854 -.21854 -.06078      .017   .020   .020   .016   .014      0      0
O3   .12611 -.12611  .14039      .015   .011   .011   .020   .005   .002   .002
H     .1840  -.1840   .1110      .041
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 400 C
Locality: Hungary
_database_code_amcsd 0018988
6.9897 6.9897 17.574 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .028   .032      0   .020   .016      0      0
NaA       0       0       0 .071 .028   .032      0   .020   .016      0      0
Al        0      .5      .5 .964 .012   .008   .010   .017   .004      0      0
S         0       0  .30142      .014   .014      0   .015   .007      0      0
O1        0       0  .38341      .024   .029      0   .014   .015      0      0
O2   .21866 -.21866 -.06115      .021   .024   .024   .020   .017   .001   .001
O3   .12616 -.12616  .14040      .017   .013   .013   .024   .005   .002   .002
H     .1838  -.1838   .1111      .048
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 450 C
Locality: Hungary
_database_code_amcsd 0018989
6.9916 6.9916 17.621 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .031   .035      0   .023   .017      0      0
NaA       0       0       0 .071 .031   .035      0   .023   .017      0      0
Al        0      .5      .5 .972 .013   .009   .011   .019   .005      0      0
S         0       0  .30118      .015   .016      0   .016   .007      0      0
O1        0       0  .38311      .026   .030      0   .017   .015      0      0
O2   .21872 -.21872 -.06135      .022   .025   .025   .023   .018   .001   .001
O3   .12624 -.12624  .14042      .018   .013   .013   .026   .005   .002   .002
H     .1837  -.1837   .1104      .061
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Alunite
Download hom/alunite.pdf
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
 
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 500 C
Locality: Hungary
_database_code_amcsd 0018990
6.9935 6.9935 17.640 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .033   .029      0   .042   .014      0      0
NaA       0       0       0 .071 .033   .029      0   .042   .014      0      0
Al        0      .5      .5 .932 .026   .011   .013   .054   .005   .001   .001
S         0       0   .3010      .030   .019      0   .051   .009      0      0
O1        0       0   .3827      .041   .035      0   .053   .018      0      0
O2    .2186  -.2186  -.0619      .035   .032   .032   .048   .021   .001   .001
O3    .1266  -.1266   .1403      .034   .016   .016   .067   .007   .001   .001
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Stillwellite-(Ce)
Download hom/stillwellitece.pdf
Callegari A, Giuseppetti G, Mazzi F, Tadini C
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1992 (1992) 49-57
The refinement of the crystal structure of stillwellite: RE[BSiO5]
Locality: Bassano Romano, Viterbo, Italy
_database_code_amcsd 0018728
6.844 6.844 6.700 90 90 120 P3_1
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ce   .5869 -.0018 .8333 .0098 .00568 .00486 .00448  .00345 -.00015  .00012
B    .1159  .0184 .8108 .0101 .00632 .00168 .00694  .00180  .00163  .00105
Si   .5823 -.0026 .3342 .0108 .00929 .00613 .00473  .00636  .00376  .00036
O1   .3532  .1978 .8600 .0096 .00104 .00342 .00752 -.00046 -.00041 -.00353
O2   .1893  .3294 .1463 .0153 .00647 .01002 .00571  .00266 -.00014  .00048
O3   .6140  .4768 .1583 .0132 .00133 .00826 .00792  .00055 -.00126 -.00002
O4   .4530  .5974 .8340 .0142 .00808 .00869 .00480  .00343 -.00159 -.00062
O5   .0589  .0571 .6133 .0126 .00904 .00444 .00453  .00193 -.00127  .00051
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Calzirtite
Download hom/calzirtite.pdf
Callegari A, Mazzi F, Ungaretti P
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 467-480
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy)
Note: crystal n.2
Locality: Rocca Castellaccio, Val Malenco, Sondrio, Italy
_database_code_amcsd 0019377
15.207 15.207 10.114 90 90 90 *I4_1/acd
0 -.25 .125
atom     x     y      z occ  Uiso
ZrM1 .0134 .2634   .125  .5 .0107
TiM2 .1679 .4179   .125     .0097
CaM3 .3321 .5821   .125     .0101
ZrM4 .1618 .2678  .3605     .0076
O1   .2878     0    .25      .012
O2   .5698     0    .25      .010
O3   .2432 .3278  .2053      .011
O4   .1138 .3324 -.0010      .013
O5   .0656 .3296  .4945      .010
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Calzirtite
Download hom/calzirtite.pdf
Callegari A, Mazzi F, Ungaretti P
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 467-480
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy)
Note: crystal n.2
Locality: Rocca Castellaccio, Val Malenco, Sondrio, Italy
_database_code_amcsd 0019378
15.207 15.207 10.114 90 90 90 Pbca
atom       x      y      z  Uiso
ZrM1   .0137  .2628  .1255 .0092
TiM2a  .1713  .4210  .1269 .0066
TiM2c  .6645 -.0849  .6234 .0062
CaM3a  .3320  .5813  .1267 .0083
CaM3c  .8325  .0830  .6237 .0081
Zrm4a  .1633  .2676  .3635 .0060
ZrM4b -.0168 -.0871  .6127 .0061
ZrM4c  .6605  .7681  .8575 .0058
ZrM4d  .4817  .4105  .1086 .0061
O1a    .2874 -.0005  .2521  .014
O1b    .2495  .0374  .5005  .009
O2a    .5699 -.0014  .2498  .009
O2b    .2509  .3197  .5025  .009
O3a    .2442  .3277  .2086  .008
O3b   -.0783 -.0078  .4541  .010
O3c    .7432  .8274  .7026  .009
O3d    .4220  .4937 -.0448  .011
O4a    .1110  .3316  .0033  .011
O4b   -.0820  .8617  .2502  .009
O4c    .6161  .8346  .4935  .015
O4d    .4170  .3679  .7486  .012
O5a    .0672  .3297  .4957  .009
O5b   -.0812  .8156  .7418  .011
O5c    .5654  .8286 -.0073  .009
O5d    .4214  .3144  .2456  .009
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Wallisite
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Boiocchi M, Callegari A
 
Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 396-406
Crystal structure refinement of a wallisite-hatchite solid solution
Locality: Binnatal, Switzerland
_database_code_amcsd 0018394
9.0707 7.7868 8.0386 65.828 65.047 74.220 P-1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .5954 .2473 .4618     .0227  .0286  .0179  .0203 -.0067 -.0080 -.0034
Tl1  .1275 .3069 .1450     .0426  .0411  .0590  .0329 -.0115 -.0161 -.0137
Ag1  .0863 .1142 .7580 .35 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032
Cu1  .0863 .1142 .7580 .65 .0403  .0499  .0257  .0491 -.0076 -.0342  .0032
As1  .1906 .5446 .3801     .0190  .0228  .0177  .0185 -.0067 -.0088 -.0039
As2  .3638 .9008 .9628     .0197  .0248  .0174  .0173 -.0051 -.0087 -.0034
S1   .5493 .3703 .8208     .0228  .0231  .0225  .0167 -.0047 -.0064 -.0003
S2   .2418 .3693 .6564     .0243  .0278  .0275  .0165 -.0079 -.0089 -.0025
S3   .4152 .1292 .2995     .0205  .0241  .0181  .0171 -.0066 -.0072 -.0013
S4   .0818 .8219 .4280     .0271  .0263  .0219  .0300 -.0049 -.0046 -.0101
S5   .1754 .8013 .9214     .0285  .0238  .0388  .0253 -.0111 -.0066 -.0107
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Total number of retrieved datasets: 73
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