American Mineralogist Crystal Structure Database

14 matching records for this search.

Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: HRPXRD, T = 25 C
_database_code_amcsd 0006167
10.60791 10.60791 5.88603 90 90 120 P6_3/m
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    1/3   2/3   .25     .0094  .0114  .0114  .0051  .0057      0      0
Ca2  .1332 .8323   .25     .0081  .0132  .0108  .0053  .0093      0      0
B    .2180 .7629   .75     .0047   .014  .0032  .0026  .0064      0      0
Mn       0    .5     0     .0060  .0053  .0046  .0054  .0002 -.0024  .0028
C        0     0 .0772  .5 .0392   .046   .046   .025  .0229      0      0
O1   .0932 .4735   .25     .0094  .0212  .0036  .0017  .0004      0      0
O2   .3211 .9191   .75     .0138  .0201  .0230  .0157  .0254      0      0
O3   .3037 .4704 .5399     .0171  .0104  .0309  .0055  .0123 -.0015 -.0009
OC   .0531 .9044 .5745  .5 .0557  .0017  .0484  .0466 -.0296 -.0130  .0385
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View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 25 C
_database_code_amcsd 0006168
10.60074 10.60074 5.88402 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0105
Ca2   .1319  .8316   .25     .0105
B     .2170  .7725   .75     .0024
Mn        0     .5     0     .0020
C         0      0 .0630  .5 .0024
O1    .0919  .4734   .25     .0231
O2    .3198  .9194   .75     .0231
O3    .3085  .4758 .5395     .0231
OC    .0587  .9152 .5705  .5 .0231
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 59 C
_database_code_amcsd 0006169
10.60643 10.60643 5.88761 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0119
Ca2   .1320  .8317   .25     .0119
B     .2166  .7717   .75     .0036
Mn        0     .5     0     .0030
C         0      0 .0601  .5 .0036
O1    .0923  .4738   .25     .0239
O2    .3200  .9195   .75     .0239
O3    .3082  .4755 .5398     .0239
OC    .0590  .9155 .5706  .5 .0239
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 93 C
_database_code_amcsd 0006170
10.61129 10.61129 5.89062 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0133
Ca2   .1323  .8319   .25     .0133
B     .2169  .7728   .75     .0037
Mn        0     .5     0     .0037
C         0      0 .0610  .5 .0037
O1    .0921  .4738   .25     .0255
O2    .3198  .9196   .75     .0255
O3    .3083  .4755 .5401     .0255
OC    .0589  .9153 .5697  .5 .0255
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 145 C
_database_code_amcsd 0006171
10.61864 10.61864 5.89528 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0148
Ca2   .1323  .8319   .25     .0148
B     .2164  .7720   .75     .0043
Mn        0     .5     0     .0046
C         0      0 .0587  .5 .0043
O1    .0926  .4743   .25     .0270
O2    .3199  .9196   .75     .0270
O3    .3081  .4753 .5400     .0270
OC    .0591  .9156 .5692  .5 .0270
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 196 C
_database_code_amcsd 0006172
10.62601 10.62601 5.90008 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0158
Ca2   .1325  .8322   .25     .0158
B     .2178  .7740   .75     .0057
Mn        0     .5     0     .0049
C         0      0 .0565  .5 .0057
O1    .0926  .4744   .25     .0288
O2    .3198  .9196   .75     .0288
O3    .3083  .4753 .5406     .0288
OC    .0593  .9152 .5680  .5 .0288
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 247 C
_database_code_amcsd 0006173
10.63402 10.63402 5.90520 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0183
Ca2   .1330  .8323   .25     .0183
B     .2161  .7728   .75     .0068
Mn        0     .5     0     .0064
C         0      0 .0581  .5 .0068
O1    .0927  .4747   .25     .0304
O2   .31890  .9191   .75     .0304
O3    .3079  .4749 .5409     .0304
OC    .0591  .9160 .5669  .5 .0304
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 298 C
_database_code_amcsd 0006174
10.64342 10.64342 5.91056 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0199
Ca2   .1332  .8323   .25     .0199
B     .2167  .7741   .75     .0097
Mn        0     .5     0     .0073
C         0      0 .0549  .5 .0097
O1    .0928  .4753   .25     .0318
O2    .3188  .9193   .75     .0318
O3    .3078  .4747 .5413     .0318
OC    .0591  .9159 .5661  .5 .0318
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 350 C
_database_code_amcsd 0006175
10.65448 10.65448 5.91703 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0221
Ca2  .13372 .83245   .25     .0221
B     .2170  .7746   .75     .0113
Mn        0     .5     0     .0086
C         0      0 .0522  .5 .0113
O1   .09273  .4756   .25     .0342
O2   .31846  .9195   .75     .0342
O3   .30799  .4747 .5417     .0342
OC   .05851  .9157 .5642  .5 .0342
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 384 C
_database_code_amcsd 0006176
10.65998 10.65998 5.92041 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0224
Ca2   .1339  .8326   .25     .0224
B     .2175  .7751   .75     .0102
Mn        0     .5     0     .0088
C         0      0 .0518  .5 .0102
O1    .0928  .4759   .25     .0351
O2    .3186  .9196   .75     .0351
O3    .3079  .4746 .5419     .0351
OC    .0586  .9152 .5620  .5 .0351
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 401 C
_database_code_amcsd 0006177
10.66317 10.66317 5.92221 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0231
Ca2   .1341  .8326   .25     .0231
B     .2171  .7750   .75     .0101
Mn        0     .5     0     .0092
C         0      0 .0518  .5 .0101
O1    .0925  .4758   .25     .0362
O2    .3185  .9195   .75     .0362
O3    .3079  .4744 .5419     .0362
OC    .0582  .9154 .5608  .5 .0362
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 452 C
_database_code_amcsd 0006178
10.67026 10.67026 5.92616 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0249
Ca2   .1343  .8328   .25     .0249
B     .2179  .7758   .75     .0127
Mn        0     .5     0     .0103
C         0      0 .0493  .5 .0127
O1    .0925  .4759   .25     .0378
O2    .3183  .9193   .75     .0378
O3    .3075  .4738 .5423     .0378
OC    .0582  .9153 .5583  .5 .0378
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Antao S M, Hassan I
Download cm/vol46/CM46_183.pdf
The Canadian Mineralogist 46 (2008) 183-193
Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
Locality: Wessels mine, Kalahari manganese field, South Africa
Sample: T = 486 C
_database_code_amcsd 0006179
10.67467 10.67467 5.92984 90 90 120 P6_3/m
atom      x      y     z occ  Uiso
Ca1     1/3    2/3   .25     .0263
Ca2   .1345  .8328   .25     .0263
B     .2190  .7789   .75     .0183
Mn        0     .5     0     .0117
C         0      0  .050  .5 .0183
O1    .0919  .4752   .25     .0397
O2    .3191  .9189   .75     .0397
O3    .3068  .4731 .5422     .0397
OC    .0608  .9165 .5534  .5 .0397
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Gaudefroyite
Download hom/gaudefroyite.pdf
Hoffmann C, Armbruster T, Kunz M
 
European Journal of Mineralogy 9 (1997) 7-19
Structure refinement of (001) disordered gaudefroyite Ca4Mn3[(BO3)3(CO3)O3]:
Jahn-Teller-distortion in edge-sharing chains of MnO6 octahedra
_database_code_amcsd 0006635
10.589 10.589 5.891 90 90 120 P6_3/m
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ca1     1/3    2/3   1/4     .0072  .0056  .0056  .0104  .0028      .0     .0
Ca2  .13169 .83212   1/4     .0081  .0074  .0070  .0097  .0034      .0     .0
Mn        0    1/2     0     .0046  .0042  .0046  .0041  .0016 -.00078 .00026
B     .2179  .7685   3/4     .0062  .0045  .0058  .0084  .0027      .0     .0
C         0      0 .0699  .5 .0088   .009   .009   .008  .0046      .0     .0
O1    .0926  .4727   1/4     .0057  .0053  .0084  .0046  .0044      .0     .0
O2    .3169  .9160   3/4     .0097  .0099  .0059  .0114  .0026      .0     .0
O3    .3030  .4722 .5439     .0083  .0067  .0129  .0064  .0056   .0002  .0001
O4    .0534  .9134 .5738  .5 .0129   .017  .0140   .013  .0113   .0022 -.0001
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 14
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