American Mineralogist Crystal Structure Database

1 matching records for this search.

Biachellaite
 
Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 53 (2008) 981-988
Model of the crystal structure of biachellaite as a new
30-layer member of the cancrinite group
Locality: Biachella Valley, near Sacrofano Caldera, Italy
_database_code_amcsd 0018983
12.913 12.913 79.605 90 90 120 P3
atom      x      y      z   occ
Si1   .2521  .2553  .1333    .5
Si2  -.0040  .2472  .1328    .5
Si3   .0004  .2535  .2686    .5
Si4   .4340  .3465  .3997    .5
Si5   .0077  .2427  .3640    .5
Si6   .0726  .4186  .4325    .5
Si7   .4077  .0671  .0003    .5
Si8   .2398  .2506  .4663    .5
Si9   .3283  .4121  .4327    .5
Si10  .4237  .3190 -.0004    .5
Si11  .6677  .5799  .0999    .5
Si12  .2415  .2426  .2015    .5
Si13  .6621  .5830  .3019    .5
Si14 -.0065  .2462  .2016    .5
Si15  .3295  .4124  .1671    .5
Si16  .0829  .4172  .2349    .5
Si17  .4134  .3326  .3006    .5
Si18  .2500  .2600  .0330    .5
Si19 -.0081  .2543  .0358    .5
Si20  .0037  .2511  .4670    .5
Si21  .6745  .0818  .0999    .5
Si22  .3283  .4117  .2338    .5
Si23  .4101  .0819  .4963    .5
Si24  .0000  .2500  .5321    .5
Si25  .4171  .0862  .3977    .5
Si26  .3400  .4200  .9660    .5
Si27  .2263  .2417  .9300    .5
Si28  .2484  .2498  .2678    .5
Si29  .2451  .2485  .3668    .5
Si30  .5968  .6763  .1682    .5
Si31  .6740  .1070  .4900    .5
Si32  .3300 -.0800  .9680    .5
Si33  .2331  .0150  .9347    .5
Si34  .3191  .4001  .5689    .5
Si35  .0729  .4200  .5640    .5
Si36  .3322  .4164  .0615    .5
Si37  .0808  .4203    1/3    .5
Si38  .3307  .4168  .3341    .5
Si39  .2500  .2500  .5270    .5
Si40  .0813  .4144  .0686    .5
Si41  .0100  .2589  .5991    .5
Si42  .2500  .2500  .6010    .5
Si43  .0000  .3000  .7000    .5
Si44  .2473  .2500  .7000    .5
Si45  .0000  .2500  .8000    .5
Si46  .2500  .2500  .7980    .5
Si47  .3417  .4220  .6670    .5
Si48  .0800  .4000  .6600    .5
Si49  .3400  .4100  .7700    .5
Si50  .0888  .4390  .7650    .5
Si51  .3190  .4040  .8660    .5
Si52  .0700  .4160  .8700    .5
Si53  .3948  .0856  .7350    .5
Si54  .4100  .3300  .7350    .5
Si55  .4114  .0846  .6290    .5
Si56  .6521  .0806  .6297    .5
Si57  .4000  .0800  .8326    .5
Si58  .6615  .0800  .8282    .5
Si59  .3985  .0662  .9000    .5
Si60  .6491  .0800  .9000    .5
Al1   .2521  .2553  .1333    .5
Al2  -.0040  .2472  .1328    .5
Al3   .0004  .2535  .2686    .5
Al4   .4340  .3465  .3997    .5
Al5   .0077  .2427  .3640    .5
Al6   .0726  .4186  .4325    .5
Al7   .4077  .0671  .0003    .5
Al8   .2398  .2506  .4663    .5
Al9   .3283  .4121  .4327    .5
Al10  .4237  .3190 -.0004    .5
Al11  .6677  .5799  .0999    .5
Al12  .2415  .2426  .2015    .5
Al13  .6621  .5830  .3019    .5
Al14 -.0065  .2462  .2016    .5
Al15  .3295  .4124  .1671    .5
Al16  .0829  .4172  .2349    .5
Al17  .4134  .3326  .3006    .5
Al18  .2500  .2600  .0330    .5
Al19 -.0081  .2543  .0358    .5
Al20  .0037  .2511  .4670    .5
Al21  .6745  .0818  .0999    .5
Al22  .3283  .4117  .2338    .5
Al23  .4101  .0819  .4963    .5
Al24  .0000  .2500  .5321    .5
Al25  .4171  .0862  .3977    .5
Al26  .3400  .4200  .9660    .5
Al27  .2263  .2417  .9300    .5
Al28  .2484  .2498  .2678    .5
Al29  .2451  .2485  .3668    .5
Al30  .5968  .6763  .1682    .5
Al31  .6740  .1070  .4900    .5
Al32  .3300 -.0800  .9680    .5
Al33  .2331  .0150  .9347    .5
Al34  .3191  .4001  .5689    .5
Al35  .0729  .4200  .5640    .5
Al36  .3322  .4164  .0615    .5
Al37  .0808  .4203    1/3    .5
Al38  .3307  .4168  .3341    .5
Al39  .2500  .2500  .5270    .5
Al40  .0813  .4144  .0686    .5
Al41  .0100  .2589  .5991    .5
Al42  .2500  .2500  .6010    .5
Al43  .0000  .3000  .7000    .5
Al44  .2473  .2500  .7000    .5
Al45  .0000  .2500  .8000    .5
Al46  .2500  .2500  .7980    .5
Al47  .3417  .4220  .6670    .5
Al48  .0800  .4000  .6600    .5
Al49  .3400  .4100  .7700    .5
Al50  .0888  .4390  .7650    .5
Al51  .3190  .4040  .8660    .5
Al52  .0700  .4160  .8700    .5
Al53  .3948  .0856  .7350    .5
Al54  .4100  .3300  .7350    .5
Al55  .4114  .0846  .6290    .5
Al56  .6521  .0806  .6297    .5
Al57  .4000  .0800  .8326    .5
Al58  .6615  .0800  .8282    .5
Al59  .3985  .0662  .9000    .5
Al60  .6491  .0800  .9000    .5
O1     .082   .542  .0676
O2     .078   .541  .3370
O3     .011   .331  .2518
O4     .010   .684  .1820
O5     .121   .237  .2720
O6     .223   .450  .2335
O7     .113   .236  .2045
O8     .125   .253  .1347
O9     .440   .220  .3025
O10    .005   .332  .1500
O11    .440   .221  .1020
O12    .343   .340  .1163
O13    .320   .000  .0830
O14    .460   .534  .1697
O15    .672   .008  .2857
O16    .343   .005  .1858
O17    .322   .341  .3528
O18    .080   .550  .2383
O19   -.011   .653  .2176
O20    .322   .339  .2508
O21    .316   .317  .1506
O22    .336   .017  .2860
O23    .223   .112  .2018
O24    .340   .335  .3836
O25    .008   .337  .3520
O26    .335   .020  .3812
O27    .040   .384  .0500
O28    .341   .006  .1190
O29    .239   .123  .2675
O30    .346   .362  .4510
O31    .335   .024  .4170
O32    .021   .330  .4492
O33    .276  -.011  .4864
O34    .305   .305  .0143
O35    .552   .452  .3005
O36    .108   .554  .4300
O37    .672   .009  .0800
O38    .128   .236  .4760
O39    .120   .230  .3650
O40    .530   .070  .0930
O41    .659   .639  .0205
O42    .339   .006  .2173
O43    .663  -.004  .3160
O44    .008   .335  .3198
O45    .467   .245  .4002
O46    .340   .330  .0490
O47    .229   .115  .1336
O48    .245   .122  .3620
O49    .387   .030  .9810
O50    .217   .434  .1674
O51    .670   .030  .5100
O52    .208   .419  .4280
O53    .322   .001  .5150
O54    .040   .394  .5430
O55    .300   .320  .5485
O56    .520   .480  .3926
O57    .241   .114  .4613
O58    .300   .340  .4860
O59    .210   .410  .3330
O60    .130   .250  .5970
O61    .240   .130  .5990
O62    .110   .250  .7000
O63    .115   .218  .7950
O64    .091   .533  .6661
O65    .210   .410  .7650
O66    .110   .560  .8712
O67    .200   .415  .8700
O68    .530   .080  .7369
O69    .380   .200  .7296
O70    .460   .240  .6290
O71    .530   .061  .6340
O72    .460   .240  .8300
O73    .530   .080  .8282
O74    .536   .113  .8972
O75    .528   .070  .0003
O76    .007   .311  .6418
O77    .325   .323  .4160
O78    .340   .030  .8150
O79    .000   .350  .6798
O80    .107   .231  .5300
O81    .550   .120  .4900
O82    .400   .330  .8080
O83    .310   .400  .6900
O84    .476   .552  .9630
O85    .287   .303  .9110
O86    .030   .400  .8480
O87    .230   .440  .0635
O88    .340   .385  .7500
O89    .020   .660  .8450
O90    .430   .220  .9020
O91    .250   .120  .0300
O92    .235   .108  .5341
O93    .353   .336  .9807
O94    .097   .560  .7650
O95    .242   .462  .9668
O96    .327   .334  .5838
O97    .372   .364  .6139
O98    .010   .330  .5819
O99    .330  -.010  .9490
O100   .020   .360  .7200
O101   .250   .110  .6998
O102   .350   .360  .7150
O103   .220   .110  .8001
O104   .000   .350  .7830
O105   .759   .234  .4994
O106   .005   .346  .6150
O107   .320   .000  .9200
O108   .305   .330  .8862
O109   .020   .360  .7500
O110   .360  -.030  .8870
O111   .240   .140  .9400
O112   .206   .406  .5667
O113   .090   .560  .5640
O114   .319   .389  .7900
O115   .216   .393  .6600
O116   .320   .340  .9464
O117   .340   .380  .6450
O118   .120   .240  .0290
O119   .410   .180 -.0037
O120   .110   .240  .9324
Ca1       0      0  .2780    .5
Ca2       0      0  .2850    .5
Ca3       0      0  .0413    .5
Ca4       0      0  .0300    .5
Ca5       0      0  .4607
Ca6       0      0  .7061    .5
Ca7       0      0  .7200    .5
Ca8       0      0  .9424
Ca9       0      0  .1287
Ca10      0      0  .3583 .3333
Ca11      0      0  .3660 .3333
Ca12      0      0  .3500 .3333
Ca13      0      0  .1978    .5
Ca14      0      0  .2050    .5
Ca15      0      0  .8094
Ca16      0      0  .5297
Ca17      0      0  .6019    .5
Ca18      0      0  .6170    .5
Ca19    1/3    2/3  .1564
Ca20    1/3    2/3  .3284    .5
Ca21    1/3    2/3  .3200    .5
Ca22    1/3    2/3  .4250
Ca23    1/3    2/3  .0688
Ca24    1/3    2/3  .5703    .5
Ca25    1/3    2/3  .5750    .5
Ca26    1/3    2/3  .9542    .5
Ca27    1/3    2/3  .9730    .5
Ca28    1/3    2/3  .2230    .5
Ca29    1/3    2/3  .2460    .5
Ca30    1/3    2/3  .8696
Ca31    1/3    2/3  .6700
Ca32    1/3    2/3  .7600    .5
Ca33    1/3    2/3  .7800    .5
Ca34    2/3  .3333  .3892
Ca35    2/3  .3333  .0900    .5
Ca36    2/3  .3333  .1000    .5
Ca37    2/3  .3333  .0000
Ca38    2/3  .3333  .4915    .5
Ca39    2/3  .3333  .4820    .5
Ca40    2/3  .3333  .2950
Ca41    2/3  .3333  .7291    .5
Ca42    2/3  .3333  .7450    .5
Ca43    2/3  .3333  .9009    .5
Ca44    2/3  .3333  .9100    .5
Ca45    2/3  .3333  .6355
Ca46    2/3  .3333  .8350
Ca47  .0095  .0491  .2001
Ca48  .2188  .0388  .2974
K1     .423   .208  .1665
K2     .146   .296  .3999
K3     .224   .109  .0646
Na1    .150   .073  .2324
Na2    .493   .511  .3686
Na3    .405   .206  .9640
Na4    .300   .158  .5652
Na5    .350   .177  .4329
Na6   -.003   .496  .2670
Na7   -.003   .493  .1341
S1      2/3    1/3  .5912
O121    2/3    1/3  .6100
O122   .600   .200  .5860
S2      2/3    1/3  .7956
O123    2/3    1/3  .7756
O124  .6067  .3833  .8056
S3        0      0  .8950
O125      0      0  .9150
O126   .070   .140  .8890
S4      2/3    1/3  .4266
O127    2/3    1/3  .4466
O128   .620   .410  .4300
S5      2/3    1/3  .9519
O129    2/3    1/3  .9719
O130   .606   .383  .9419
S6      1/3    2/3  .4703
O131    1/3    2/3  .4503
O132   .390   .620  .4800
S7      1/3    2/3  .6189
O133    1/3    2/3  .6389
O134   .390   .620  .6100
S8      2/3    1/3  .5363
O135    2/3    1/3  .5173
O136   .607   .383  .5463
S9      2/3    1/3  .3400
O137    2/3    1/3  .3600
O138   .607   .383  .3300
S10       0      0  .4073
O139      0      0  .4273
O140   .140   .070  .3983
S11     1/3    2/3  .9159
O141    1/3    2/3  .8960
O142   .390   .620  .9260
S12     1/3    2/3  .5282
O143    1/3    2/3  .5080
O144   .390   .620  .5380
S13     1/3    2/3  .3756
O145    1/3    2/3  .3956
O146   .390   .620  .3650
S14     2/3    1/3  .1383
O147   .600   .200  .1280
O148    2/3    1/3  .1580
S15     1/3    2/3  .0247
O149   .390   .620  .0350
O150    1/3    2/3  .0050
S16     2/3    1/3  .2492
O151    2/3    1/3  .2690
O152   .600   .200  .2400
S17     1/3    2/3  .1100
O153    1/3    2/3  .1300
O154   .390   .620  .1000
S18     1/3    2/3  .7100
O155    1/3    2/3  .7300
O156   .390   .620  .7000
S19     2/3    1/3  .6886
O157    2/3    1/3  .6686
O158   .606   .383  .7006
S20     1/3    2/3  .8247
O159    1/3    2/3  .8450
O160   .390   .620  .8157
S21     2/3    1/3  .0492
O161    2/3    1/3  .0302
O162   .607   .383  .0592
S22       0      0  .0893
O163      0      0  .0693
O164   .100   .075  .1000
S23       0      0  .6593
O165      0      0  .6793
O166   .140   .070  .6503
S24       0      0  .7593
O167      0      0  .7793
O168   .140   .070  .7503
S25       0      0  .8553
O169      0      0  .8360
O170   .100   .080  .8650
S26     2/3    1/3  .1900
O171    2/3    1/3  .2100
O172   .600   .200  .1820
Cl1     1/3    2/3  .2850
Cl2       0      0  .3160
Cl3       0      0  .9700
Wat1    2/3    1/3  .8700
Wat2    1/3    2/3  .1900
Wat3      0      0  .1621
Wat4      0      0  .2500
Wat5      0      0  .4921
Wat6      0      0  .5621
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Total number of retrieved datasets: 1
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