American Mineralogist Crystal Structure Database

68 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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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS, the "best" model
Fo92Fa08
_database_code_amcsd 0002600
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00473 .00639 .00506 -.00015 -.00060 -.00109
Fe1      0     0     0 .08 .00473 .00639 .00506 -.00015 -.00060 -.00109
Mg2  .9901 .2776   .25 .92 .00618 .00431 .00596  .00016       0       0
Fe2  .9901 .2776   .25 .08 .00618 .00431 .00596  .00016       0       0
Si   .4267 .0943   .25     .00309 .00374 .00447  .00011       0       0
O1   .7659 .0917   .25     .00361 .00651 .00605  .00013       0       0
O2   .2208 .4475   .25     .00551 .00385 .00647 -.00008       0       0
O3   .2781 .1633 .0333     .00545 .00620 .00573  .00028 -.00015  .00156
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View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F**2-refinement using CRYSTALS
Fo92Fa08
_database_code_amcsd 0002601
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00473 .00632 .00511  .00018 -.00065 -.00107
Fe1      0     0     0 .08 .00473 .00632 .00511  .00018 -.00065 -.00107
Mg2  .9901 .2776   .25 .92 .00619 .00422 .00595  .00010       0       0
Fe2  .9901 .2776   .25 .08 .00619 .00422 .00595  .00010       0       0
Si   .4267 .0943   .25     .00308 .00375 .00452  .00014       0       0
O1   .7661 .0918   .25     .00357 .00658 .00599  .00023       0       0
O2   .2208 .4475   .25     .00554 .00388 .00655  .00002       0       0
O3   .2781 .1633 .0333     .00547 .00624 .00565  .00032 -.00020  .00150
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F**2-refinement using SHELX-97
Fo92Fa08
_database_code_amcsd 0002602
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00476 .00643 .00511 -.00014 -.00064 -.00110
Fe1      0     0     0 .08 .00476 .00643 .00511  .00014 -.00064 -.00110
Mg2  .9901 .2776   .25 .93 .00621 .00433 .00599  .00014       0       0
Fe2  .9901 .2776   .25 .07 .00621 .00433 .00599  .00014       0       0
Si   .4267 .0943   .25     .00314 .00379 .00450  .00010       0       0
O1   .7661 .0917   .25     .00361 .00649 .00603  .00011       0       0
O2   .2208 .4475   .25     .00554 .00385 .00645 -.00010       0       0
O3   .2781 .1633 .0333     .00543 .00619 .00573  .00029 -.00015  .00154
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1
Fo92Fa08
_database_code_amcsd 0002603
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00474 .00639 .00509 -.00014 -.00061 -.00110
Fe1      0     0     0 .08 .00474 .00639 .00509 -.00014 -.00061 -.00110
Mg2  .9901 .2776   .25 .93 .00618 .00432 .00596  .00017       0       0
Fe2  .9901 .2776   .25 .07 .00618 .00432 .00596  .00017       0       0
Si   .4267 .0943   .25     .00309 .00374 .00447  .00011       0       0
O1   .7660 .0917   .25     .00361 .00651 .00605  .00013       0       0
O2   .2208 .4475   .25     .00551 .00385 .00647 -.00008       0       0
O3   .2781 .1633 .0333     .00545 .00620 .00573  .00027 -.00015  .00156
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Merli M, Oberti R, Caucia F, Ungaretti L
Download am/vol86/AM86_55.pdf
American Mineralogist 86 (2001) 55-65
Determination of site population in olivine: Warnings on X-ray data
treatment and refinement
Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7
Fo92Fa08
_database_code_amcsd 0002604
4.7579 10.2151 5.9890 90 90 90 Pbnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Mg1      0     0     0 .92 .00640 .00805 .00621  .00000 -.00060 -.00091
Fe1      0     0     0 .08 .00640 .00805 .00621  .00000 -.00060 -.00091
Mg2  .9904 .2776   .25 .93 .00810 .00640 .00728  .00013       0       0
Fe2  .9904 .2776   .25 .07 .00810 .00640 .00728  .00013       0       0
Si   .4265 .0943   .25     .00480 .00585 .00579  .00000       0       0
O1   .7664 .0917   .25     .00670 .00850 .00720  .00000       0       0
O2   .2205 .4477   .25     .00730 .00610 .00720  .00070       0       0
O3   .2782 .1632 .0334     .00800 .00800 .00740  .00027 -.00007  .00120
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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)
 
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
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: 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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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)
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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-6/4
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)
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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-6/2
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)
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: 106038/3
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)
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: 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)
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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: 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)
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: 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
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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: 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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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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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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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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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)
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: 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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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/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)
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/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
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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
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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/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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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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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
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: 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
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
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
Download AMC data (View Text File)
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Staurolite
Download hom/staurolite.pdf
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
Download hom/staurolite.pdf
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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Titanite
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Oberti R, Smith D C, Rossi G, Caucia F
 
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Locality: Tyrol, Austria
_database_code_amcsd 0006425
7.057 8.707 6.555 90 113.81 90 P2_1/a
atom      x     y     z  occ Biso
Ca    .2431 .9179 .7512       .83
Tioct .5120 .7535 .2496 .975  .34
Aloct .5120 .7535 .2496 .003  .34
Feoct .5120 .7535 .2496 .014  .34
Si    .7487 .9326 .7493 .982  .21
O1    .7497 .8214 .2495       .44
O2    .9099 .8165 .9342       .43
O3    .3825 .9614 .1474       .35
O4    .9114 .3164 .4360       .42
O5    .3806 .4604 .6471       .36
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Titanite
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Oberti R, Smith D C, Rossi G, Caucia F
 
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Sample: D167
Note: y-coord of Ca altered to reproduce published bond lengths
Locality: Liset, Norway
_database_code_amcsd 0006426
7.049 8.653 6.527 90 114.12 90 A2/a
atom      x     y     z  occ Biso
Ca      .25 .1667     0 .996 1.16
Tioct    .5     0    .5 .714 1.01
Aloct    .5     0    .5 .282 1.01
Feoct    .5     0    .5 .011 1.01
Si      .75 .1836     0 .992  .36
O1      .75 .0710    .5       .57
O2    .9098 .0666 .1877       .61
O3    .3825 .2094 .3980       .54
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Titanite
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Oberti R, Smith D C, Rossi G, Caucia F
 
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Sample: K52
Locality: Liset, Norway
_database_code_amcsd 0006427
7.045 8.647 6.522 90 114.21 90 A2/a
atom     x     y     z  occ Biso
Ca     .25 .1665     0 .984 1.17
Si     .75 .1838     0       .37
Tioct   .5     0    .5 .661 1.02
Aloct   .5     0    .5 .322 1.02
Feoct   .5     0    .5 .014 1.02
O1     .75 .0709    .5       .66
O2   .9096 .0666 .1883       .63
O3   .3828 .2091 .3982       .55
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Titanite
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Oberti R, Smith D C, Rossi G, Caucia F
 
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Sample: TK22
Locality: Broken Hill, Australia
_database_code_amcsd 0006428
7.043 8.637 6.514 90 114.25 90 A2/a
atom     x     y     z  occ Biso
Ca     .25 .1662     0 .986 1.15
Tioct   .5     0    .5 .605  .94
Aloct   .5     0    .5 .349  .94
Feoct   .5     0    .5 .023  .94
Si     .75 .1841     0       .37
O1     .75 .0713    .5       .65
O2   .9097 .0667 .1885       .64
O3   .3833 .2088 .3985       .55
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Titanite
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Oberti R, Smith D C, Rossi G, Caucia F
 
European Journal of Mineralogy 3 (1991) 777-792
The crystal-chemistry of high-aluminium titanites
Sample: HEL697
Locality: Sierra de los Filabres, Spain
_database_code_amcsd 0006429
7.038 8.635 6.514 90 114.24 90 A2/a
atom     x     y     z  occ Biso
Ca     .25 .1665     0      1.15
Si     .75 .1840     0 .988  .41
Tioct   .5     0    .5 .636 1.00
Aloct   .5     0    .5 .363 1.00
Feoct   .5     0    .5 .013 1.00
O1     .75 .0709    .5       .66
O2   .9095 .0665 .1888       .66
O3   .3831 .2086 .3981       .59
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.synt
_database_code_amcsd 0006901
4.2113 4.2113 4.2113 90 90 90 Fm-3m
atom   x   y   z Biso
Mg     0   0   0  .35
O     .5  .5  .5  .36
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.4041
_database_code_amcsd 0006902
4.2154 4.2154 4.2154 90 90 90 Fm-3m
atom   x   y   z  occ Biso
Mg     0   0   0 .974  .35
Fe     0   0   0 .026  .35
O     .5  .5  .5       .36
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: Per.3363
_database_code_amcsd 0006903
4.2178 4.2178 4.2178 90 90 90 Fm-3m
atom   x   y   z  occ Biso
Mg     0   0   0 .958  .34
Fe     0   0   0 .042  .34
O     .5  .5  .5       .37
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Periclase
Download hom/periclase.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: after heating to 1100 deg C
_database_code_amcsd 0006904
4.212 4.212 4.212 90 90 90 Fm-3m
atom   x   y   z occ Biso
Mg     0   0   0 .99  .35
Fe     0   0   0 .01  .35
O     .5  .5  .5      .36
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Magnesioferrite
Download hom/magnesioferrite.pdf
Boiocchi M, Caucia F, Merli M, Prella D, Ungaretti L
 
European Journal of Mineralogy 13 (2001) 871-881
Crystal-chemical reasons for the immiscibility of periclase and wustite
under lithospheric P,T conditions
Sample: after heating to 1100 deg C
_database_code_amcsd 0006905
8.385 8.385 8.385 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z occ Biso
MgT   .125  .125  .125 .30  .43
FeT   .125  .125  .125 .70  .43
MgM     .5    .5    .5 .37  .48
FeM     .5    .5    .5 .63  .48
O    .2566 .2566 .2566      .51
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