American Mineralogist Crystal Structure Database

12 matching records for this search.

NaGaSi2O6
 
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
Redhammer G J
Download am/vol92/AM92_560.pdf
American Mineralogist 92 (2007) 560-569
Low-temperature behavior of NaGaSi2O6
Sample: T = 295 K
_database_code_amcsd 0004307
9.5531 8.6983 5.2684 90 107.629 90 C2/c
atom      x      y      z   Uiso
Na        0 .30038    .25  .0108
Ga        0 .90189    .25 .00348
Si   .29116 .09112 .23220 .00314
O1   .11188 .07804 .13365  .0044
O2   .35874 .25894 .30170  .0062
O3   .35265 .00957 .00787  .0055
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View JMOL 3-D Structure (permalink)
 
NaGaSi2O6
 
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
Redhammer G J
Download am/vol92/AM92_560.pdf
American Mineralogist 92 (2007) 560-569
Low-temperature behavior of NaGaSi2O6
Sample: T = 235 K
_database_code_amcsd 0004308
9.5494 8.6924 5.2673 90 107.631 90 C2/c
atom      x      y      z   Uiso
Na        0 .30046    .25  .0090
Ga        0 .90210    .25 .00294
Si   .29119 .09122 .23236 .00274
O1   .11199 .07797 .13373  .0037
O2   .35868 .25913 .30187  .0053
O3   .35284 .00984 .00773  .0048
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View JMOL 3-D Structure (permalink)
 
NaGaSi2O6
 
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
Redhammer G J
Download am/vol92/AM92_560.pdf
American Mineralogist 92 (2007) 560-569
Low-temperature behavior of NaGaSi2O6
Sample: T = 190 K
_database_code_amcsd 0004309
9.5472 8.6894 5.2667 90 107.632 90 C2/c
atom      x      y      z   Uiso
Na        0 .30051    .25  .0074
Ga        0 .90219    .25 .00244
Si   .29119 .09127 .23241 .00237
O1   .11191 .07803 .13350  .0032
O2   .35878 .25935 .30219  .0046
O3   .35285 .00980 .00769  .0041
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View JMOL 3-D Structure (permalink)
 
NaGaSi2O6
 
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
Redhammer G J
Download am/vol92/AM92_560.pdf
American Mineralogist 92 (2007) 560-569
Low-temperature behavior of NaGaSi2O6
Sample: T = 145 K
_database_code_amcsd 0004310
9.5453 8.6864 5.2662 90 107.630 90 C2/c
atom      x      y      z   Uiso
Na        0 .30047    .25  .0062
Ga        0 .90232    .25 .00201
Si   .29121 .09129 .23263 .00206
O1   .11187 .07812 .13369  .0030
O2   .35880 .25936 .30240  .0039
O3   .35303 .00986 .00795  .0036
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
NaGaSi2O6
 
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H,
Redhammer G J
Download am/vol92/AM92_560.pdf
American Mineralogist 92 (2007) 560-569
Low-temperature behavior of NaGaSi2O6
Sample: T = 110 K
_database_code_amcsd 0004311
9.5442 8.6849 5.2662 90 107.628 90 C2/c
atom      x      y      z   Uiso
Na        0 .30058    .25  .0052
Ga        0 .90238    .25 .00163
Si   .29125 .09128 .23264 .00183
O1   .11190 .07820 .13385 .00276
O2   .35882 .25945 .30267  .0034
O3   .35297 .00994 .00775  .0032
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View JMOL 3-D Structure (permalink)
 
Jadeite
Download hom/jadeite.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd100Ae0
_database_code_amcsd 0004445
9.4278 8.5651 5.2262 90 107.624 90 C2/c
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM2      0  .3002    .25  .0108  .0146  .0075  .0090      0 -.0006      0
AlM1      0 .90604    .25  .0043  .0048  .0044  .0042      0  .0012      0
SiT  .29072 .09342 .22822 .00383  .0039  .0040  .0041 -.0003  .0010 -.0004
O1    .1092  .0760  .1284  .0049  .0043  .0053  .0054 -.0004  .0009 -.0003
O2    .3610  .2634  .2935  .0070  .0076  .0052  .0084 -.0020  .0022 -.0004
O3    .3536  .0071  .0067  .0065  .0059  .0083  .0059  .0006  .0013 -.0025
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View JMOL 3-D Structure (permalink)
 
Jadeite
Download hom/jadeite.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd74Ae26
_database_code_amcsd 0004446
9.4781 8.6180 5.2449 90 107.570 90 C2/c
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
NaM2        0 .30029    .25      .0114  .0143  .0076  .0094       0 -.0008       0
AlM1        0 .90369    .25 .74 .00494  .0050  .0047  .0050       0  .0012       0
Fe3+M1      0 .90369    .25 .26 .00494  .0050  .0047  .0050       0  .0012       0
SiT    .29055 .09232 .22978     .00443  .0042  .0046  .0045 -.00024 .00125 -.00023
O1     .11032 .07663  .1303      .0063  .0046  .0069  .0070   .0001  .0014  -.0001
O2     .36029 .26139  .2952      .0078  .0094  .0052  .0085  -.0019  .0027  -.0007
O3     .35324 .00755  .0075      .0068  .0062  .0085  .0057   .0001  .0019  -.0021
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View JMOL 3-D Structure (permalink)
 
Aegirine
Download hom/aegirine.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd35Ae65
_database_code_amcsd 0004447
9.5663 8.7040 5.2733 90 107.600 90 C2/c
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
NaM2        0 .29844    .25      .0118  .0140  .0095  .0086       0 -.0014       0
AlM1        0 .90134    .25 .35 .00542  .0053  .0053  .0054       0 .00117       0
Fe3+M1      0 .90134    .25 .65 .00542  .0053  .0053  .0054       0 .00117       0
SiT    .29075 .09083 .23362     .00500  .0046  .0053  .0051 -.00007 .00150 -.00021
O1     .11233 .07785  .1345      .0078  .0052  .0086  .0094   .0006  .0018  -.0002
O2     .35929 .25862  .2992      .0096  .0118  .0061  .0109  -.0020  .0033  -.0010
O3     .35289 .00802  .0111      .0078  .0065  .0104  .0064   .0008  .0018  -.0021
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aegirine
Download hom/aegirine.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd0Ae100
_database_code_amcsd 0004448
9.6623 8.8000 5.2956 90 107.579 90 C2/c
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
NaM2        0  .2961    .25 .0116  .0132  .0125  .0062      0 -.0031   .0000
Fe3+M1      0 .89921    .25 .0049  .0052  .0046  .0051      0 .00039       0
SiT    .29115 .08942 .23765 .0049  .0046  .0047  .0054 -.0006  .0006 -.00022
O1      .1146  .0789  .1393 .0067  .0052  .0080  .0070 -.0001  .0006   .0011
O2      .3591  .2556  .3032 .0097  .0107  .0063  .0125 -.0033  .0033  -.0014
O3      .3526  .0080  .0146 .0079  .0068  .0107  .0063   .000  .0009  -.0029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Jadeite
Download hom/jadeite.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd53Hd47
_database_code_amcsd 0004449
9.6031 8.7735 5.2656 90 106.725 90 C2/c
atom        x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM2        0 .30094    .25 .53 .0124  .0165  .0093  .0090      0 -.0001      0
CaM2        0 .30094    .25 .47 .0124  .0165  .0093  .0090      0 -.0001      0
FeM2'       0   .257    .25 .03  .007
AlM1        0 .90504    .25 .52 .0074  .0075  .0080  .0065      0  .0019      0
Fe2+M1      0 .90504    .25 .48 .0074  .0075  .0080  .0065      0  .0019      0
SiT    .28845 .09209 .22982     .0066  .0068  .0077  .0056  .0003  .0025 -.0011
O1      .1126  .0808  .1366     .0143  .0069  .0191  .0168  .0024  .0030 -.0046
O2      .3600  .2554  .3079     .0131  .0190  .0095  .0102 -.0004  .0032 -.0012
O3      .3518  .0133  .0013     .0098  .0090  .0128  .0080  .0010  .0033 -.0022
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd24Hde76
_database_code_amcsd 0004450
9.7340 8.9103 5.2682 90 105.904 90 C2/c
atom        x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM2        0 .30061    .25 .24 .0114  .0137  .0090  .0092      0 -.0005      0
CaM2        0 .30061    .25 .76 .0114  .0137  .0090  .0092      0 -.0005      0
AlM1        0 .90603    .25 .24 .0075  .0074  .0073  .0071      0  .0009      0
Fe2+M1      0 .90603    .25 .76 .0075  .0074  .0073  .0071      0  .0009      0
SiT    .28782 .09199  .2317     .0069  .0064  .0082  .0060  .0002  .0017 -.0006
O1      .1165  .0853  .1451     .0142  .0095  .0203  .0129  .0016  .0031 -.0028
O2      .3609  .2510  .3166     .0136  .0201  .0091  .0112 -.0007  .0035 -.0006
O3      .3510  .0160 -.0016     .0099  .0094  .0128  .0076  .0002  .0026 -.0027
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hedenbergite
Download hom/hedenbergite.pdf
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M
Download am/vol92/AM92_1492.pdf
American Mineralogist 92 (2007) 1492-1501
The crystal structures of pyroxenes along the jadeite - hedenbergite and
jadeite - aegirine joins
Locality: synthetic
Sample: Jd0Hd100
_database_code_amcsd 0004451
9.8447 9.0234 5.2509 90 104.862 90 C2/c
atom        x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaM2        0 .30034    .25 .99 .00873  .0104  .0073  .0073      0  .0001      0
FeM2'       0   .242    .25 .01  .0065
Fe2+M1      0 .90741    .25     .00635  .0067  .0058  .0063      0  .0011      0
SiT    .28786 .09244 .23259      .0050  .0050  .0052  .0048 -.0002  .0012 -.0004
O1      .1194  .0901  .1519      .0074  .0056  .0093  .0072  .0001  .0016  .0000
O2      .3630  .2465  .3237      .0097  .0122  .0068  .0096  .0029  .0019 -.0010
O3      .3502  .0198 -.0066      .0079  .0067  .0100  .0070 -.0001  .0017 -.0024
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 12
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