American Mineralogist Crystal Structure Database

9 matching records for this search.

Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G17
Locality: Madagascar
_database_code_amcsd 0004348
10.3250 10.9575 5.7600 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09183 .21910    .25 .976 .0068  .0081  .0061  .0062 -.0013      0      0
Fe    .09183 .21910    .25 .024 .0068  .0081  .0061  .0062 -.0013      0      0
Al1        0      0      0      .0052  .0056  .0050  .0050  .0001 -.0002  .0000
Al2       .5      0      0      .0055  .0047  .0065  .0052 -.0001  .0002  .0005
Al3   .22634 .44791    .25      .0053  .0048  .0056  .0055 -.0003      0      0
B      .2512  .0003    .75      .0072  .0081  .0061  .0074  .0001      0      0
Si    .43356 .26330    .25      .0056  .0062  .0047  .0058  .0000      0      0
O1     .2750  .2882    .25      .0084  .0068  .0060  .0124 -.0000      0      0
O2     .1186  .0224    .25      .0061  .0057  .0064  .0061  .0000      0      0
O3     .1210 -.0035    .75      .0067  .0053  .0091  .0058  .0002      0      0
O4     .4738  .1199    .25      .0072  .0100  .0054  .0063  .0010      0      0
O5     .5465  .1002    .75      .0061  .0060  .0060  .0061 -.0005      0      0
O6   -.00731 .17099 -.0227      .0075  .0098  .0056  .0071  .0002 -.0016  .0004
O7    .18068 .50112 -.0452      .0079  .0058  .0118  .0059  .0000  .0001  .0008
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G8
Locality: Long Lake, Larsemann Hills, Antarctica
_database_code_amcsd 0004349
10.3330 10.9858 5.7667 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09262 .21906    .25 .874 .0068  .0079  .0065  .0062 -.0013      0      0
Fe    .09262 .21906    .25 .126 .0068  .0079  .0065  .0062 -.0013      0      0
Al1        0      0      0      .0053  .0055  .0057  .0047  .0001 -.0002  .0001
Al2       .5      0      0      .0054  .0046  .0068  .0048 -.0002  .0003  .0005
Al3   .22643 .44799    .25      .0050  .0043  .0060  .0048 -.0004      0      0
B      .2512  .0004    .75      .0079  .0077   .008  .0074  .0005      0      0
Si    .43370 .26325    .25      .0054  .0059  .0050  .0053 -.0000      0      0
O1     .2756  .2883    .25      .0088  .0065  .0078  .0122  .0000      0      0
O2     .1183  .0222    .25      .0067  .0062  .0080  .0059 -.0002      0      0
O3     .1211 -.0033    .75      .0071  .0055  .0100  .0058  .0002      0      0
O4     .4738  .1202    .25      .0077  .0099  .0063  .0071  .0010      0      0
O5     .5465  .0999    .75      .0065  .0066  .0068  .0061 -.0003      0      0
O6   -.00756 .17090 -.0227      .0078  .0099  .0064  .0070  .0002 -.0015  .0004
O7    .18059 .50118 -.0452      .0084  .0060  .0129  .0062  .0001  .0001  .0008
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G4
Locality: Sahakondra, Ampamatoa, Madagascar
_database_code_amcsd 0004350
10.3317 10.9904 5.7634 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09292 .21903    .25 .818 .0103  .0124  .0101  .0085 -.0017      0      0
Fe    .09292 .21903    .25 .182 .0103  .0124  .0101  .0085 -.0017      0      0
Al1        0      0      0      .0078  .0085  .0084  .0064  .0002  .0001  .0000
Al2       .5      0      0      .0080  .0078  .0096  .0066 -.0001  .0002  .0005
Al3   .22643 .44795    .25      .0084  .0081  .0097  .0073 -.0002      0      0
B      .2512  .0003    .75      .0099   .011   .010   .009  .0008      0      0
Si    .43376 .26334    .25      .0085  .0096  .0082  .0076 -.0002      0      0
O1     .2755  .2888    .25      .0113  .0100  .0095  .0143 -.0001      0      0
O2     .1184  .0216    .25      .0090  .0086  .0107  .0075 -.0001      0      0
O3     .1212 -.0036    .75      .0094  .0087  .0121  .0075  .0003      0      0
O4     .4739  .1201    .25      .0101  .0127  .0091  .0085  .0010      0      0
O5     .5463  .0997    .75      .0089  .0094  .0092  .0080 -.0004      0      0
O6   -.00720  .1708 -.0225      .0102  .0129  .0084  .0094  .0003 -.0018  .0003
O7     .1807 .50117 -.0453      .0107  .0089  .0151  .0079  .0005  .0002  .0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G12
Locality: Zimbabwe
_database_code_amcsd 0004351
10.3347 11.0034 5.7627 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09348 .21897    .25 .726 .0081  .0097  .0077  .0069 -.0017      0      0
Fe    .09348 .21897    .25 .274 .0081  .0097  .0077  .0069 -.0017      0      0
Al1        0      0      0      .0060  .0064  .0065  .0049  .0002 -.0000 -.0001
Al2       .5      0      0      .0060  .0056  .0076  .0047 -.0000  .0002  .0005
Al3   .22641 .44796    .25      .0060  .0057  .0071  .0053  .0000      0      0
B      .2510  .0002    .75      .0080   .008   .009   .007  .0001      0      0
Si    .43394 .26340    .25      .0062  .0071  .0060  .0055 -.0001      0      0
O1     .2758  .2892    .25      .0093  .0074  .0075  .0129 -.0001      0      0
O2     .1183  .0214    .25      .0069  .0072  .0080  .0054  .0001      0      0
O3     .1209 -.0037    .75      .0075  .0063  .0102  .0061  .0005      0      0
O4     .4738  .1203    .25      .0079  .0104  .0072  .0064  .0009      0      0
O5     .5464  .0992    .75      .0069  .0072  .0073  .0061 -.0002      0      0
O6   -.00728  .1707 -.0228      .0084  .0107  .0068  .0076  .0004 -.0015  .0002
O7     .1807 .50113 -.0455      .0087  .0067  .0133  .0060  .0001  .0001  .0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G1
Locality: Karibe area, Zimbabwe
_database_code_amcsd 0004352
10.3360 11.0148 5.7657 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09387 .21896    .25 .666 .0066  .0078  .0062  .0059 -.0015      0      0
Fe    .09387 .21896    .25 .334 .0066  .0078  .0062  .0059 -.0015      0      0
Al1        0      0      0      .0048  .0050  .0055  .0039  .0001 -.0002  .0001
Al2       .5      0      0      .0050  .0041  .0069  .0040 -.0001  .0003  .0006
Al3   .22643 .44807    .25      .0048  .0040  .0061  .0042 -.0003      0      0
B      .2512  .0003    .75      .0066  .0070  .0068  .0059  .0007      0      0
Si    .43406 .26339    .25      .0048  .0052  .0047  .0045 -.0000      0      0
O1     .2761  .2891    .25      .0083  .0057  .0077  .0115 -.0001      0      0
O2     .1182  .0214    .25      .0059  .0052  .0077  .0046  .0007      0      0
O3     .1210 -.0036    .75      .0064  .0044  .0100  .0049 -.0001      0      0
O4     .4739  .1205    .25      .0067  .0089  .0058  .0055  .0011      0      0
O5     .5465  .0988    .75      .0060  .0059  .0066  .0053 -.0005      0      0
O6   -.00724 .17053 -.0228      .0073  .0096  .0063  .0059 -.0001 -.0018  .0003
O7    .18054 .50112 -.0452      .0077  .0053  .0128  .0050  .0004  .0002  .0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Grandidierite
Download hom/grandidierite.pdf
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G2
Locality: Andrahomana, Madagascar
_database_code_amcsd 0004353
10.3403 11.0332 5.7655 90 90 90 Pbnm
atom       x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09438  .21894    .25 .550 .0071  .0083  .0065  .0066 -.0016      0      0
Fe    .09438  .21894    .25 .450 .0071  .0083  .0065  .0066 -.0016      0      0
Al1        0       0      0      .0052  .0053  .0058  .0046  .0002 -.0001  .0000
Al2       .5       0      0      .0055  .0044  .0072  .0048 -.0002  .0001  .0006
Al3   .22648  .44810    .25      .0052  .0042  .0064  .0050 -.0003      0      0
B      .2512   .0002    .75      .0072  .0073  .0069  .0074  .0005      0      0
Si    .43423  .26343    .25      .0053  .0057  .0049  .0053  .0001      0      0
O1     .2763  .28964    .25      .0087  .0059  .0077 .01256 -.0001      0      0
O2     .1182  .02087    .25      .0061  .0055  .0075  .0054  .0006      0      0
O3     .1210 -.00373    .75      .0068  .0054  .0098  .0053  .0002      0      0
O4     .4738  .12070    .25      .0073  .0090  .0063  .0065  .0007      0      0
O5    .54644  .09836    .75      .0061  .0065  .0062  .0058 -.0003      0      0
O6   -.00717  .17034 -.0231      .0079  .0099  .0064  .0073  .0002 -.0018  .0003
O7    .18067  .50109 -.0454      .0082  .0059  .0126  .0060  .0002  .0000  .0006
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ominelite
 
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: G9
Locality: Almgjotheii, Rogaland, Norway
_database_code_amcsd 0004354
10.3450 11.0519 5.7656 90 90 90 Pbnm
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg    .09462 .21896    .25 .478 .0080  .0094  .0078  .0069 -.0017      0      0
Fe    .09462 .21896    .25 .522 .0080  .0094  .0078  .0069 -.0017      0      0
Al1        0      0      0      .0060  .0059  .0070  .0050  .0002 -.0002  .0000
Al2       .5      0      0      .0061  .0052  .0083  .0049 -.0002  .0002  .0006
Al3   .22649 .44811    .25      .0061  .0053  .0078  .0052 -.0003      0      0
B      .2510  .0003    .75      .0077  .0086  .0081  .0066  .0002      0      0
Si    .43431 .26345    .25      .0062  .0068  .0062  .0056 -.0000      0      0
O1     .2765  .2898    .25      .0092  .0060  .0084  .0131 -.0003      0      0
O2     .1181  .0205    .25      .0069  .0060  .0090  .0055  .0002      0      0
O3     .1211 -.0037    .75      .0077  .0064  .0111  .0055  .0001      0      0
O4     .4740  .1208    .25      .0080  .0099  .0073  .0068  .0009      0      0
O5     .5464  .0981    .75      .0069  .0073  .0075  .0058 -.0007      0      0
O6   -.00701 .17034 -.0231      .0083  .0104  .0072  .0074  .0000 -.0017  .0004
O7    .18070 .50116 -.0453      .0087  .0063  .0140  .0058  .0001  .0003  .0008
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ominelite
 
Dzikowski T J, Groat L A, Grew E S
Download am/vol92/AM92_863.pdf
American Mineralogist 92 (2007) 863-872
The geometric effects of VFe2+ for VMg substitution on the crystal structures
of the grandidierite-ominelite series
Sample: ominelite
_database_code_amcsd 0004355
10.363 11.129 5.769 90 90 90 Pbnm
atom       x      y      z  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Fe    .09578 .21908    .25 .0071  .0085  .0063  .0066 -.00174      0      0
Al1        0      0      0 .0049  .0049  .0058  .0039   .0003 -.0001  .0000
Al2       .5      0      0 .0053  .0043  .0076  .0041  -.0002  .0000  .0008
Al3   .22669 .44840    .25 .0047  .0040  .0063  .0039  -.0003      0      0
B      .2509  .0003    .75 .0056  .0052  .0077  .0040   .0005      0      0
Si    .43501 .26359    .25 .0051  .0058  .0047  .0050  -.0001      0      0
O1     .2776  .2909    .25 .0083  .0053  .0073  .0123   .0011      0      0
O2     .1174  .0193    .25 .0057  .0056  .0069  .0045   .0004      0      0
O3     .1210 -.0044    .75 .0070  .0046  .0106  .0058  -.0003      0      0
O4     .4741  .1218    .25 .0070  .0092  .0054  .0062   .0010      0      0
O5     .5463  .0964    .75 .0056  .0063  .0053  .0052  -.0001      0      0
O6   -.00668 .16967 -.0238 .0079  .0111  .0063  .0063  -.0004 -.0021  .0002
O7    .18078 .50114 -.0452 .0075  .0049  .0129  .0046   .0002  .0000  .0008
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gorceixite
Download hom/gorceixite.pdf
Dzikowski T J, Groat L A, Jambor J L
Download cm/vol44/CM44_951.pdf
The Canadian Mineralogist 44 (2006) 951-958
The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6, a
member of the alunite supergroup
Locality: Rapid Creek area, Yukon Territory, Canada
_database_code_amcsd 0006097
7.0538 7.0538 17.2746 90 90 120 R-3m
atom     x     y     z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaA      0     0    .5 .8820 .0134  .0119  .0119  .0165  .0059      0      0
AlG     .5     0     0       .0147  .0101  .0104  .0238  .0052  .0005  .0010
P5+T     0     0 .1987       .0155  .0099  .0099   .027  .0049      0      0
O1   .5477 .4523 .1055       .0159   .013   .013   .026   .010 -.0007  .0007
O2       0     0 .1082    .5  .020   .018   .018   .023  .0090      0      0
OH2      0     0 .1082    .5  .020   .018   .018   .023  .0090      0      0
Oh3  .4600 .5400 .3058       .0172   .011   .011   .026   .004  .0026 -.0026
H3    .530  .470  .278         .13
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 9
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