American Mineralogist Crystal Structure Database

46 matching records for this search.

Cancrinite
Download hom/cancrinite.pdf
Fechtelkord M, Stief F, Buhl J-C
Download am/vol86/AM86_165.pdf
American Mineralogist 86 (2001) 165-175
Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H
MAS NMR study and high temperature Rietveld structure refinement
Sample: T = 296 K
_database_code_amcsd 0002623
12.6666 12.6666 5.1808 90 90 120 P6_3
atom     x     y    z occ Uiso
Na1    1/3   2/3 .627 .99 .019
Na2   .134 .2710 .286 .99 .021
Si1   .082  .410  .75     .005
Al1   .337  .412 .742     .005
O1    .201  .403 .663     .006
O2   .1163  .552 .730     .006
O3    .038  .358 .044     .006
O4    .323  .353 .055     .006
N1       0     0  .56 .37  .01
N2       0     0  .75 .50  .01
ON1   .015  .908  .55 .37  .03
ON2   .884  .939 .803 .50  .03
OH1   .620   .33 .680 .39  .03
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Fechtelkord M, Stief F, Buhl J-C
Download am/vol86/AM86_165.pdf
American Mineralogist 86 (2001) 165-175
Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H
MAS NMR study and high temperature Rietveld structure refinement
Sample: T = 673 K
_database_code_amcsd 0002624
12.7261 12.7261 5.2214 90 90 120 P6_3
atom    x     y    z occ Uiso
Na1   1/3   2/3 .654 .93 .052
Na2  .137 .2741 .287 .98 .066
Si1  .080  .413  .75     .028
Al1  .332  .411 .756     .028
O1   .200  .406 .684     .030
O2   .115  .557 .737     .030
O3   .023  .349 .035     .030
O4   .323  .359 .060     .030
N1      0     0  .56 .41  .03
N2      0     0  .78 .41  .03
ON1  .980  .083  .48 .41  .07
ON2  .890  .940  .71 .41  .07
OH1   1/3   2/3  .68 .08  .01
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Cancrinite
Download hom/cancrinite.pdf
Fechtelkord M, Posnatzki B, Buhl J-C, Fyfe C A, Groat L A, Raudsepp M
Download am/vol86/AM86_881.pdf
American Mineralogist 86 (2001) 881-888
Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water
system: An NMR spectroscopic and Rietveld refinement study
_database_code_amcsd 0002658
12.41595 12.41595 4.97019 90 90 120 P6_3
atom     x     y     z occ  Uiso
Cs     1/3   2/3 .2723     .0316
Li    .169 .3084  .246 .91   .02
Al   .0812 .4090   .75      .002
Si   .3405 .4154 .7757      .002
O1   .2024 .3831 .6739      .007
O2   .1311 .5663  .776      .007
O3   .0491 .3720 .0926      .007
O4   .3199 .3874 .1100      .007
OH21 .8909 .0229  .758 .81  .045
OH22 .0728 .1734  .118 .49  .045
OH1      0     0  .006 .74  .018
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Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: SC20
_database_code_amcsd 0004164
12.590 12.590 5.117 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1339      .0491
Na2  .1232 .2490 .2959  .67 .0491
Ca2  .1232 .2490 .2959  .25 .0491
Al   .0752 .4104 .7510      .0073
Si   .3277 .4104   .75      .0073
C1       0     0 .6729 .380 .0445
C2       0     0 .9134 .380 .0445
O1   .2027 .4043 .6574      .0163
O2   .1131 .5635 .7281      .0163
O3   .0295 .3487 .0610      .0163
O4   .3131 .3566 .0439      .0163
OC1  .0572 .1163 .6729 .380 .0445
OC2  .0587 .1194 .9134 .380 .0445
Wat    2/3   1/3 .6875       .025
Download AMC data (View Text File)
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Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 25 C
_database_code_amcsd 0004165
12.5906 12.5906 5.1168 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1206      .0314
Na2  .1268 .2509 .2996  .67 .0314
Ca2  .1268 .2509 .2996  .25 .0314
Al   .0775 .4205 .7612      .0031
Si   .3246 .4029   .75      .0031
C1       0     0  .714 .380  .018
C2       0     0  .940 .380  .018
O1   .2051 .4032 .6777      .0105
O2   .1085 .5568 .7355      .0105
O3   .0209 .3515 .0521      .0105
O4   .3056 .3533 .0660      .0105
OC1  .0766 .1131  .714 .380  .018
OC2  .0758 .1197  .940 .380  .018
Wat    2/3   1/3 .6926 .801  .025
Download AMC data (View Text File)
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Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 101 C
_database_code_amcsd 0004166
12.5979 12.5979 5.1243 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1237      .0349
Na2  .1259 .2508 .3004  .67 .0349
Ca2  .1259 .2508 .3004  .25 .0349
Al   .0776 .4204 .7618      .0034
Si   .3248 .4024   .75      .0034
C1       0     0  .720 .380  .016
C2       0     0  .942 .380  .016
O1   .2057 .4039 .6791      .0126
O2   .1081 .5566 .7362      .0126
O3   .0201 .3503 .0509      .0126
O4   .3073 .3540 .0659      .0126
OC1  .0764 .1127  .720 .380  .016
OC2  .0785 .1203  .942 .380  .016
Wat    2/3   1/3 .6975 .788  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 207 C
_database_code_amcsd 0004167
12.6111 12.6111 5.1369 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1288      .0396
Na2  .1247 .2508 .3008  .67 .0396
Ca2  .1247 .2508 .3008  .25 .0396
Al   .0769 .4200 .7622      .0042
Si   .3248 .4022   .75      .0042
C1       0     0  .725 .380  .026
C2       0     0  .939 .380  .026
O1   .2070 .4049 .6804      .0159
O2   .1073 .5568 .7377      .0159
O3   .0189 .3483 .0499      .0159
O4   .3085 .3547 .0642      .0159
OC1  .0756 .1125  .725 .380  .026
OC2  .0827 .1222  .939 .380  .026
Wat    2/3   1/3 .7059 .782  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 298 C
_database_code_amcsd 0004168
12.6268 12.6268 5.1514 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1277      .0442
Na2  .1233 .2505 .3010  .67 .0442
Ca2  .1233 .2505 .3010  .25 .0442
Al   .0769 .4196 .7599      .0042
Si   .3253 .4021   .75      .0042
C1       0     0  .718 .380  .028
C2       0     0  .930 .380  .028
O1   .2068 .4062 .6791      .0198
O2   .1068 .5579 .7389      .0198
O3   .0173 .3442 .0517      .0198
O4   .3118 .3556 .0553      .0198
OC1  .0746 .1135  .718 .380  .028
OC2  .0901 .1221  .930 .380  .028
Wat    2/3   1/3 .7131 .719  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 405 C
_database_code_amcsd 0004169
12.6414 12.6414 5.1580 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1167      .0469
Na2  .1237 .2522 .2993  .67 .0469
Ca2  .1237 .2522 .2993  .25 .0469
Al   .0756 .4172  .754      .0051
Si   .3254 .4037   .75      .0051
C1       0     0  .696 .380  .028
C2       0     0  .913 .380  .028
O1   .2049 .4079  .676      .0225
O2   .1073 .5602  .748      .0225
O3   .0156 .3407  .058      .0225
O4   .3171 .3557  .041      .0225
OC1  .0723 .1147  .696 .380  .028
OC2  .0953 .1136  .913 .380  .028
Wat    2/3   1/3  .768 .496  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 496 C
_database_code_amcsd 0004170
12.6538 12.6538 5.1736 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1126      .0570
Na2  .1302 .2512 .2982  .67 .0570
Ca2  .1302 .2512 .2982  .25 .0570
Al   .0755 .4041 .7511      .0082
Si   .3387 .4165   .75      .0082
C1       0     0  .691 .380  .036
C2       0     0  .913 .380  .036
O1   .2114 .4084 .6774      .0234
O2   .1052 .5578 .7412      .0234
O3   .0128 .3360 .0259      .0234
O4   .3213 .3596 .0642      .0234
OC1  .0374 .1154  .691 .380  .036
OC2  .0253 .1225  .913 .380  .036
Wat    2/3   1/3 .7983 .288  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 511 C
_database_code_amcsd 0004171
12.6508 12.6508 5.1707 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1124      .0567
Na2  .1302 .2514 .2981  .67 .0567
Ca2  .1302 .2514 .2981  .25 .0567
Al   .0758 .4045 .7525      .0087
Si   .3385 .4162   .75      .0087
C1       0     0  .691 .380  .034
C2       0     0  .914 .380  .034
O1   .2113 .4088 .6770      .0225
O2   .1055 .5585 .7423      .0225
O3   .0122 .3352 .0259      .0225
O4   .3218 .3606 .0662      .0225
OC1  .0369 .1153  .691 .380  .034
OC2  .0242 .1237  .914 .380  .034
Wat    2/3   1/3  .807 .254  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 557 C
_database_code_amcsd 0004172
12.6560 12.6560 5.1728 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1075      .0660
Na2  .1270 .2523 .2965  .67 .0660
Ca2  .1270 .2523 .2965  .25 .0660
Al   .0724 .4123 .7497      .0115
Si   .3270 .4092   .75      .0115
C1       0     0  .583 .380  .060
C2       0     0  .825 .380  .060
O1   .2015 .4079 .6726      .0234
O2   .1055 .5584 .7439      .0234
O3   .0117 .3373 .0234      .0234
O4   .3171 .3583 .0661      .0234
OC1  .0879 .1112  .583 .380  .060
OC2  .0510 .1237  .825 .380  .060
Wat    2/3   1/3  .798 .139  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 602 C
_database_code_amcsd 0004173
12.6631 12.6631 5.1753 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1050      .0738
Na2  .1277 .2530 .2940  .67 .0738
Ca2  .1277 .2530 .2940  .25 .0738
Al   .0724 .4123 .7512      .0126
Si   .3270 .4097   .75      .0126
C1       0     0  .590 .380  .074
C2       0     0  .835 .380  .074
O1   .2020 .4097 .6698      .0229
O2   .1065 .5593 .7461      .0229
O3   .0116 .3371 .0215      .0229
O4   .3178 .3590 .0677      .0229
OC1  .0901 .1096  .590 .380  .074
OC2  .0464 .1263  .835 .380  .074
Wat    2/3   1/3  .803 .030  .025
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 648 C
_database_code_amcsd 0004174
12.6696 12.6696 5.1755 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1038      .0791
Na2  .1278 .2525 .2949  .67 .0791
Ca2  .1278 .2525 .2949  .25 .0791
Al   .0726 .4124 .7493      .0136
Si   .3272 .4099   .75      .0136
C1       0     0  .582 .371  .067
C2       0     0  .830 .371  .067
O1   .2020 .4088 .6713      .0244
O2   .1056 .5586 .7416      .0244
O3   .0092 .3348 .0175      .0244
O4   .3171 .3584 .0662      .0244
OC1  .0862 .1107  .582 .371  .067
OC2  .0490 .1271  .830 .371  .067
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 693 C
_database_code_amcsd 0004175
12.6758 12.6758 5.1835 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1081      .0837
Na2  .1279 .2529 .2950  .67 .0837
Ca2  .1279 .2529 .2950  .25 .0837
Al   .0724 .4121 .7498      .0149
Si   .3274 .4102   .75      .0149
C1       0     0  .576 .371  .075
C2       0     0  .831 .371  .075
O1   .2025 .4087 .6733      .0246
O2   .1049 .5584 .7418      .0246
O3   .0080 .3333 .0175      .0246
O4   .3172 .3585 .0655      .0246
OC1  .0872 .1129  .576 .371  .075
OC2  .0499 .1286  .831 .371  .075
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Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 800 C
_database_code_amcsd 0004176
12.6886 12.6886 5.1924 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1089      .0893
Na2  .1295 .2525 .2958  .67 .0893
Ca2  .1295 .2525 .2958  .25 .0893
Al   .0760 .4071 .7494      .0165
Si   .3368 .4153   .75      .0165
C1       0     0  .692 .371  .074
C2       0     0  .933 .371  .074
O1   .2098 .4082 .6807      .0253
O2   .1037 .5557 .7323      .0253
O3   .0043 .3289 .0116      .0253
O4   .3201 .3595 .0613      .0253
OC1  .0378 .1208  .692 .371  .074
OC2  .0384 .1268  .933 .371  .074
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 891 C
_database_code_amcsd 0004177
12.7034 12.7034 5.2031 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Na1    2/3   1/3 .1070      .1000
Na2  .1290 .2540 .2921  .67 .1000
Ca2  .1290 .2540 .2921  .25 .1000
Al   .0738 .4104  .752      .0191
Si   .3317 .4127   .75      .0191
C1       0     0  .739 .360  .092
C2       0     0  .957 .360  .092
O1   .2061 .4079 .6850      .0256
O2   .1028 .5579 .7334      .0256
O3   .0013 .3291 .0072      .0256
O4   .3169 .3560 .0558      .0256
OC1  .0421 .1243  .739 .360  .092
OC2  .0437 .1177  .957 .360  .092
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cancrinite
Download hom/cancrinite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol91/AM91_1117.pdf
American Mineralogist 91 (2006) 1117-1124
Cancrinite: Crystal structure, phase transitions, and
dehydration behaviour with temperature
Locality: Dungannon Township, Bancroft, Ontario, Canada
Sample: T = 952 C
_database_code_amcsd 0004178
12.7187 12.7187 5.2150 90 90 120 P6_3
atom      x     y     z  occ  Uiso
Na1     2/3   1/3 .1170      .1080
Na2   .1301 .2545 .2855  .67 .1080
Ca2   .1301 .2545 .2855  .25 .1080
Al    .0727 .4109  .752      .0222
Si    .3313 .4121   .75      .0222
C1        0     0  .770 .366  .109
C2        0     0  .973 .366  .109
O1    .2087 .4109  .680      .0247
O2    .1020 .5603  .747      .0247
O3   -.0040 .3280  .003      .0247
O4    .3177 .3561  .051      .0247
OC1   .0441 .1245  .770 .366  .109
OC2    .039 .1219  .973 .366  .109
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.0001 GPa (P-AIR)
_database_code_amcsd 0019024
12.5976 12.5976 5.1168 90 90 120 P6_3
atom      x      y     z  occ  Uiso
Si   .08267 .41096 .7338      .0090
Al   .33709 .41224 .7342      .0087
O1    .2014  .4043 .6419      .0155
O2    .1145  .5507 .7109      .0198
O3    .0443  .3588 .0276      .0164
O4    .3212  .3508 .0442      .0148
Na1     2/3    1/3 .1159 .960 .0294
Na2   .8742  .7516 .7764 .854 .0287
Ca    .8742  .7516 .7764 .146 .0287
C1        0      0  .914 .421  .048
OC1   .0562  .1184  .888 .421  .052
C2        0      0  .649 .459  .021
OC2   .0639  .1196  .664 .459  .030
Wat    .315  .6171  .171  1/3  .048
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Cancrinite
Download hom/cancrinite.pdf
Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.0001 GPa (P-DAC)
_database_code_amcsd 0019025
12.620 12.620 5.083 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0824 .4106 .7244      .0082
Al   .3372 .4126 .7231      .0087
O1   .2007 .4027  .634       .013
O2   .1140 .5520  .698       .019
O3   .0462 .3590  .020       .012
O4   .3199 .3517  .036       .007
Na1    2/3   1/3  .108 .960  .038
Na2  .8746 .7519 .7673 .854  .027
Ca   .8746 .7519 .7673 .146  .027
C1       0     0   .91 .421  .006
OC1   .058 .1182  .881 .421  .038
C2       0     0  .652 .459  .006
OC2   .062 .1190  .662 .459  .038
Wat   .316  .617  .173  1/3  .039
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.76 GPa
_database_code_amcsd 0019026
12.580 12.580 5.058 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0828 .4112 .7347      .0095
Al   .3373 .4126 .7348      .0111
O1   .2009 .4022  .639       .015
O2   .1175 .5542  .704       .019
O3   .0491 .3632  .034       .014
O4   .3212 .3540  .048       .010
Na1    2/3   1/3  .112 .960  .041
Na2  .8754 .7517 .7779 .854  .032
Ca   .8754 .7517 .7779 .146  .032
C1       0     0   .90 .421   .04
OC1   .061 .1190  .883 .421  .048
C2       0     0  .672 .459   .04
OC2   .062 .1193  .672 .459  .048
Wat   .306  .613  .181  1/3  .054
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 0.99 GPa
_database_code_amcsd 0019027
12.530 12.530 5.072 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0826 .4108 .7376      .0139
Al   .3374 .4121 .7389      .0133
O1   .2000 .4017  .644       .020
O2   .1163 .5513  .707       .020
O3   .0457 .3588  .034       .015
O4   .3191 .3512  .053       .017
Na1    2/3   1/3  .115 .960  .036
Na2  .8733 .7497 .7820 .854  .032
Ca   .8733 .7497 .7820 .146  .032
C1       0     0   .91 .421   .05
OC1   .056  .119  .864 .421  .069
C2       0     0   .66 .459   .05
OC2   .063 .1200  .657 .459  .069
Wat   .309  .608  .173  1/3   .05
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 1.39 GPa
_database_code_amcsd 0019028
12.514 12.514 5.034 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0829 .4109 .7342      .0105
Al   .3372 .4121 .7356      .0112
O1   .2004 .4006  .635       .017
O2   .1180 .5533  .702       .022
O3   .0484 .3620  .035       .013
O4   .3183 .3535  .054       .015
Na1    2/3   1/3  .110 .960  .040
Na2  .8743 .7508 .7784 .854  .032
Ca   .8743 .7508 .7784 .146  .032
C1       0     0   .90 .421  .028
OC1   .058 .1200  .886 .421  .052
C2       0     0  .671 .459  .028
OC2   .063 .1203  .671 .459  .052
Wat   .305  .614  .178  1/3  .056
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 2.33 GPa
_database_code_amcsd 0019029
12.447 12.447 5.006 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0829 .4111 .7340      .0103
Al   .3369 .4123 .7357      .0092
O1   .2004 .4010  .634       .016
O2   .1174 .5525  .699       .021
O3   .0494 .3629 .0390       .014
O4   .3181 .3529  .058       .016
Na1    2/3   1/3  .107 .960  .042
Na2  .8749 .7524 .7792 .854 .0283
Ca   .8749 .7524 .7792 .146 .0283
C1       0     0   .90 .421  .032
OC1   .052 .1193  .870 .421  .053
C2       0     0  .655 .459  .032
OC2   .067 .1198  .672 .459  .053
Wat   .319  .617  .176  1/3  .047
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 3.59 GPa
_database_code_amcsd 0019030
12.386 12.386 4.954 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0831 .4112 .7360      .0101
Al   .3367 .4124 .7393      .0105
O1   .1988 .3977  .631       .017
O2   .1232 .5556  .697       .020
O3   .0529 .3664  .047       .014
O4   .3189 .3581  .062       .015
Na1    2/3   1/3  .100 .960  .038
Na2  .8755 .7523 .7785 .854  .028
Ca   .8755 .7523 .7785 .146  .028
C1       0     0   .91 .421   .05
OC1   .066  .119  .860 .421  .054
C2       0     0  .686 .459   .05
OC2   .057 .1210  .664 .459  .054
Wat   .308  .615  .159  1/3  .031
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 4.30 GPa
_database_code_amcsd 0019031
12.347 12.347 4.935 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0835 .4111 .7345      .0120
Al   .3369 .4126 .7366      .0125
O1   .1981 .3957  .628       .019
O2   .1243 .5566  .691       .020
O3   .0539 .3675  .046       .015
O4   .3181 .3579  .063       .017
Na1    2/3   1/3  .095 .960  .040
Na2  .8754 .7523 .7756 .854 .0291
Ca   .8754 .7523 .7756 .146 .0291
C1       0     0   .90 .421  .026
OC1   .055 .1204  .867 .421  .053
C2       0     0  .682 .459  .026
OC2   .067 .1216  .669 .459  .053
Wat   .311  .617  .155  1/3  .031
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 5.00 GPa
_database_code_amcsd 0019032
12.322 12.322 4.905 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0841 .4116 .7369      .0127
Al   .3372 .4131 .7384      .0123
O1   .1984 .3978  .626       .016
O2   .1235 .5554  .691       .024
O3   .0546 .3666  .048       .014
O4   .3182 .3584  .067       .017
Na1    2/3   1/3  .094 .960  .039
Na2  .8757 .7527 .7795 .854 .0276
Ca   .8757 .7527 .7795 .146 .0276
C1       0     0  .918 .421  .025
OC1   .054  .118  .857 .421  .050
C2       0     0  .659 .459  .025
OC2   .065 .1218  .665 .459  .050
Wat   .314  .614  .151  1/3  .045
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 5.73 GPa
_database_code_amcsd 0019033
12.278 12.278 4.876 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0839 .4118 .7377      .0123
O2   .1259 .5560  .686       .027
Al   .3377 .4137 .7415      .0131
O1   .1955 .3916  .625       .020
O3   .0574 .3702  .058       .014
O4   .3196 .3617  .072       .017
Na1    2/3   1/3  .085 .960  .049
Na2  .8760 .7531 .7764 .854  .030
Ca   .8760 .7531 .7764 .146  .030
C1       0     0   .90 .421  .024
OC1   .060  .121  .855 .421  .047
C2       0     0   .67 .459  .024
OC2   .064 .1226  .668 .459  .047
Wat   .308  .614  .151  1/3  .048
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 6.16 GPa
_database_code_amcsd 0019034
12.266 12.266 4.864 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0842 .4119 .7387      .0130
Al   .3375 .4139 .7405      .0125
O1   .1960 .3931  .627       .020
O2   .1267 .5590  .686       .027
O3   .0578 .3721  .055       .014
O4   .3193 .3613  .070       .017
Na1    2/3   1/3  .084 .960  .047
Na2  .8761 .7530 .7774 .854  .031
Ca   .8761 .7530 .7774 .146  .031
C1       0     0   .92 .421  .016
OC1   .060  .119  .853 .421  .045
C2       0     0  .676 .459  .016
OC2   .062 .1228  .666 .459  .045
Wat   .311  .614  .146  1/3  .048
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Cancrinite
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Lotti P, Gatta G D, Rotiroti N, Camara F
 
American Mineralogist 97 (2012) 872-882
High-pressure study of a natural cancrinite
Locality: Cameroun
Note: P = 6.63 GPa
_database_code_amcsd 0019035
12.240 12.240 4.843 90 90 120 P6_3
atom     x     y     z  occ  Uiso
Si   .0841 .4123 .7392      .0126
Al   .3373 .4142 .7424      .0137
O1   .1959 .3910  .626       .022
O2   .1302 .5576  .687       .027
O3   .0572 .3721  .061       .018
O4   .3199 .3620  .073       .019
Na1    2/3   1/3  .077 .960  .065
Na2  .8762 .7527 .7758 .854  .034
Ca   .8762 .7527 .7758 .146  .034
C1       0     0   .90 .421  .031
OC1   .061  .121  .854 .421  .055
C2       0     0  .684 .459  .031
OC2   .062 .1225  .661 .459  .055
Wat   .308  .615  .141  1/3  .045
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Cancrinite
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Grundy H D, Hassan I
Download cm/vol20/CM20_239.pdf
The Canadian Mineralogist 20 (1982) 239-251
The crystal structure of a carbonate-rich cancrinite
Note: Si-y coordinate changed to match reported bond lengths
_database_code_amcsd 0005185
12.590 12.590 5.117 90 90 120 P6_3
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1    2/3   1/3 .1339      .0312  .0312  .0849  .0156      0      0
Na2  .1232 .2490 .2959 .67  .0114  .0179  .0271  .0094 -.0018 -.0012
Ca2  .1232 .2490 .2959 .25  .0114  .0179  .0271  .0094 -.0018 -.0012
Si   .3277 .4103   .75      .0065  .0078  .0065  .0039  .0002  .0003
Al   .0752 .4125 .7510      .0072  .0086  .0070  .0043  .0000  .0006
O1   .2027 .4043 .6574      .0113  .0218  .0110  .0113  .0005  .0017
O2   .1131 .5635 .7281      .0221  .0115  .0268  .0113  .0014  .0012
O3   .0295 .3487 .0610      .0115  .0220  .0099  .0091  .0035  .0045
O4   .3131 .3566 .0439      .0159  .0225  .0091  .0133  .0013  .0045
O51  .0572 .1163 .6729 .38  .0124  .0127  .0801  .0055  .0000  .0042
O52  .0587 .1194 .9134 .38  .0147  .0144  .1004  .0086  .0005 -.0083
OH6  .6246 .3243 .6875 .33  .0982  .1073  .0332  .0714 -.0049 -.0053
C1       0     0 .6729 .38  .0207  .0207  .0619  .0103      0      0
C2       0     0 .9134 .38  .0112  .0112  .1411  .0056      0      0
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Cancrinite
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Hassan I, Grundy H D
Download cm/vol29/CM29_377.pdf
The Canadian Mineralogist 29 (1991) 377-383
The crystal structure of basic cancrinite, ideally
Na8[Al6Si6O24](OH)2.3H2O
_database_code_amcsd 0005267
12.664 12.664 5.159 90 90 120 P6_3
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1   .2022 .4034 .6653            .0104  .0252  .0173  .0116 -.0002  .0005
O2   .1184 .5647 .7269            .0204  .0141  .0359  .0106  .0054  .0040
O3   .0287 .3531 .0579            .0172  .0264  .0074  .0120  .0037  .0044
O4   .3190 .3611 .0421            .0254  .0267  .0101  .0197  .0011  .0026
Si   .3298 .4125   .75            .0089  .0096  .0079  .0055 -.0011  .0003
Al   .0764 .4133 .7515            .0071  .0086  .0084  .0035 -.0005  .0011
O51  .0514 .1087 .6714 .17 .0214
O52  .0541 .1096 .9377 .17 .0236
O5       0     0 .6913 .34 .0361
O6   .6152 .3097 .6835 .33        .0637  .0653  .0471  .0232  .0056  .0090
Na1    2/3   1/3 .1250            .0218  .0218  .0567  .0109      0      0
Na2  .1320 .2669 .2867            .0286  .0563  .0386  .0288 -.0032 -.0062
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# Kovd15/1
Locality: Kovdor
_database_code_amcsd 0018868
12.683 12.683 5.190 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .33005 .41291    .75      .00910
Al2  .07606 .41389 .75067  .89 .00924
Si2  .07606 .41389 .75067  .11 .00924
O1   .20288 .40452  .6721       .0187
O2   .11904 .56549  .7268       .0238
O3   .02646 .35346  .0548       .0194
O4   .32153 .36118  .0386       .0191
Na    .6667  .3333  .1270       .0346
Wat   .6980  .3874  .6897 .333  .0582
NaA  .13129 .26535  .2863  .81  .0522
KA   .13129 .26535  .2863  .05  .0522
C1        0      0   .679 .171   .039
OC1   .0540  .1141   .679 .171   .055
C2        0      0   .889 .169   .038
OC2   .0344  .1142   .889 .169   .080
C3        0      0   .516 .097   .024
OC3   .1005  .0051   .516 .097   .034
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# Kovd5
Locality: Kovdor
_database_code_amcsd 0018869
12.606 12.606 5.118 90 90 120 P6_3
atom       x       y      z  occ   Uiso
Si1  .328797 .411271    .75      .00758
Al2   .07557 .412385 .75065  .89 .00764
Si2   .07557 .412385 .75065  .11 .00764
O1    .20304  .40468 .65957      .01530
O2    .11582  .56377 .72443      .01919
O3    .03076  .35266 .06175      .01552
O4    .31616  .36021 .04513      .01569
Na     .6667   .3333  .1315       .0299
Wat    .6873   .3015  .6848 .333  .0562
NaA'   .1249   .2525  .2972  .62  .0254
CaA'   .1249   .2525  .2972  .02  .0254
NaA    .1194   .2418  .2627  .35  .0279
CaA    .1194   .2418  .2627  .01  .0279
C1         0       0   .644  .32   .036
OC1    .0575   .1180   .644  .32   .043
C2         0       0  .9054 .252  .0223
OC2    .0576   .1179  .9054 .252  .0317
C4         0       0   .758  .15   .010
OC4    .0570   .1171   .758  .15   .024
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# kir2343
Locality: Khibiny
_database_code_amcsd 0018870
12.607 12.607 5.111 90 90 120 P6_3
atom       x       y      z  occ   Uiso
Si1  .328823 .411280    .75      .00725
Al2   .07563  .41234 .75076  .90 .00719
Si2   .07563  .41234 .75076  .10 .00719
O1    .20311  .40467 .65898      .01472
O2    .11579  .56374  .7243      .01825
O3    .03099  .35279 .06220      .01511
O4    .31617  .36021 .04601      .01547
Na       2/3     1/3  .1308       .0299
Wat    .6143   .3129  .6849 .333  .0570
NaA'   .1236   .2504  .2992  .57  .0230
CaA'   .1236   .2504  .2992  .05  .0230
NaA    .1195   .2410  .2677  .34  .0259
CaA    .1195   .2410  .2677  .02  .0259
C1        .0      .0  .6399 .289  .0215
OC1    .0579   .1182  .6399 .289  .0233
C2        .0      .0  .9089 .251  .0146
OC2    .0580   .1178  .9089 .251  .0225
C4        .0      .0  .7583 .196  .0111
OC4    .0580   .1188  .7583 .196  .0175
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Cancrinite
Download hom/cancrinite.pdf
Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# tz3/1
Locality: Tamazeght
_database_code_amcsd 0018871
12.625 12.625 5.122 90 90 120 P6_3
atom      x      y     z  occ  Uiso
Si1  .32817 .41076   .75      .0099
Al2  .07537 .41230 .7511  .94 .0088
Si2  .07537 .41230 .7511  .06 .0088
O1    .2028  .4037 .6579      .0156
O2    .1132  .5635 .7283      .0221
O3    .0299  .3502 .0618      .0177
O4    .3141  .3564 .0443      .0177
Na      2/3    1/3 .1353 .845 .0370
Wat    .695  .3756  .684 .333  .061
NaA   .1230 .24943 .2944  .77 .0269
CaA   .1230 .24943 .2944  .20 .0269
C1        0      0  .669 .402  .040
OC1   .0559  .1178  .669 .402  .046
C2        0      0  .899 .365  .059
OC2    .059  .1194  .899 .365  .056
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# tz5/1
Locality: Tamazeght
_database_code_amcsd 0018872
12.618 12.618 5.144 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32849 .41087   .75      .00881
Al2  .07534 .41255 .7509  .92 .00886
Si2  .07534 .41255 .7509  .08 .00886
O1   .20368 .40528 .6629       .0159
O2   .11412 .56335 .7283       .0214
O3   .02878  .3506 .0582       .0171
O4   .31591  .3576 .0422       .0178
Na    .6667  .3333 .1311       .0422
Wat    .697   .378 .6905 .333   .073
NaA  .12555 .25371 .2955  .77  .0295
CaA  .12555 .25371 .2955  .15  .0295
C1        0      0  .644 .289   .019
OC1   .0575  .1178  .644 .289   .024
C2        0      0  .936 .272   .029
OC2   .0522  .1168  .936 .272   .067
C4        0      0  .762 .160   .016
OC4   .0589  .1170  .762 .160   .024
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# 11/1
Locality: Khibiny
_database_code_amcsd 0018873
12.618 12.618 5.116 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .32841 .41111    .75      .00699
Al2  .07525 .41236 .75094  .93 .00723
Si2  .07525 .41236 .75094  .07 .00723
O1   .20317 .40479 .65897      .01388
O2   .11541 .56393  .7249      .01830
O3   .03040 .35195 .06234      .01469
O4   .31531 .35986 .04496      .01472
Na      2/3    1/3  .1323       .0288
Wat   .6157  .3146  .6852 .333  .0534
NaA'  .1248  .2525  .2996  .55  .0209
CaA'  .1248  .2525  .2996  .05  .0209
NaA   .1190  .2411   .276  .35  .0263
CaA   .1190  .2411   .276  .04  .0263
C1        0      0   .660 .225  .0177
OC1   .0577  .1187   .660 .225  .0163
C2        0      0  .9029 .247  .0198
OC2   .0577  .1185  .9029 .247  .0262
C3        0      0   .581 .092   .007
OC3   .0566  .1145   .581 .092   .016
C4        0      0  .7581 .172  .0108
OC4   .0567  .1186  .7581 .172  .0176
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# mmf28962
Locality: Ilmeny Mountains, southern Urals, Russia
_database_code_amcsd 0018874
12.617 12.617 5.129 90 90 120 P6_3
atom      x      y      z  occ   Uiso
Si1  .32795 .41047    .75      .00926
Al2  .07506 .41250 .75085  .97 .00954
Si2  .07506 .41250 .75085  .03 .00954
O1   .20308 .40495  .6581       .0166
O2   .11353 .56358  .7273       .0211
O3   .02942 .34970  .0598       .0174
O4   .31396 .35719  .0433       .0168
Na      2/3    1/3   .124 .705  .0343
Na'     2/3    1/3   .187  .18   .026
Wat   .6849  .3068  .6857 .333   .066
NaA  .12273 .24770  .2913  .64  .0253
CaA  .12273 .24770  .2913  .16  .0253
NaA'  .1320  .2699  .2998  .15   .038
CaA'  .1320  .2699  .2998  .04   .038
C1        0      0   .715 .211   .021
OC1   .0575  .1202   .715 .211   .022
C2        0      0   .944 .185   .011
OC2   .0575  .1165   .944 .185   .026
C3        0      0   .626 .225   .024
OC3   .0572  .1172   .626 .225   .024
C4        0      0   .844 .150   .006
OC4   .0587  .1192   .844 .150   .025
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# mmf62633/2
Locality: Dakhuunur
_database_code_amcsd 0018875
12.613 12.613 5.124 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32770 .41029   .75      .00911
Al2  .07504 .41252 .7511  .97 .00991
Si2  .07504 .41252 .7511  .03 .00991
O1   .20285 .40426 .6582       .0156
O2    .1127 .56339 .7281       .0204
O3   .02932  .3487 .0608       .0162
O4   .31292  .3565 .0430       .0161
Na      2/3    1/3 .1380 .815  .0382
Wat    .691  .3741  .679 .333   .061
NaA  .12252 .24759 .2959  .64  .0222
CaA  .12252 .24759 .2959  .25  .0222
NaA'  .1424  .2866  .288  .06  .0222
CaA'  .1424  .2866  .288  .02  .0222
C1        0      0 .6751 .432   .044
OC1   .0578  .1186 .6751 .432   .046
C2        0      0  .912 .373   .038
OC2   .0590  .1185  .912 .373   .044
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Cancrinite
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Pekov I V, Olysych L V, Chukanov N V, Zubkova N V,
Pushcharovsky D Yu, Van K V, Giester G, Tillmanns E
 
The Canadian Mineralogist 49 (2012) 1129-1150
Crystal chemistry of cancrinite-group minerals with an AB-type framework:
A review and new data. I. Chemical and structural variations
Note: Sample# ggm44331
Locality: Vishnevye Mountains
_database_code_amcsd 0018876
12.627 12.627 5.136 90 90 120 P6_3
atom      x      y     z  occ   Uiso
Si1  .32815 .41088   .75      .01027
Al2  .07515 .41252 .7510  .94 .01077
Si2  .07515 .41252 .7510  .06 .01077
O1   .20301 .40490 .6605       .0172
O2   .11441 .56360 .7266       .0219
O3   .02867 .34943 .0600       .0168
O4   .31430 .35775 .0427       .0177
Na      2/3    1/3 .1345       .0374
Wat    .686   .303 .6892 .333   .064
NaA   .1223  .2452 .2867  .44  .0241
CaA   .1223  .2452 .2867  .10  .0241
NaA'  .1269  .2601  .301  .39   .040
CaA'  .1269  .2601  .301  .07   .040
C1        0      0  .692  .19   .016
OC1   .0574  .1194  .692  .19   .010
C2        0      0  .935 .216   .012
OC2   .0603  .1155  .935 .216   .034
C3        0      0  .611  .21   .023
OC3   .0541  .1138  .611  .21   .034
C4        0      0  .810 .234   .018
OC4    .060   .123  .810 .234   .071
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Cancrinite
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Fechtelkord M, Posnatzki B, Buhl J-C
 
European Journal of Mineralogy 15 (2003) 589-598
Characterization of basic cancrinite synthesized in a butanediol-water system
_database_code_amcsd 0007001
12.7558 12.7558 5.1985 90 90 120 P6_3
atom      x     y    z occ  Uiso
Na1     1/3   2/3 .637      .008
Na2    .144 .2890 .288 .91  .032
Si1   .0803 .4166  .75     .0045
Al1   .3333 .4132 .753     .0045
O1     .200 .4026 .687      .015
O2    .1215  .560 .749      .015
O3    .0452 .3666 .062      .015
O4    .3328 .3562 .058      .015
OH1       0     0 .112 .78  .018
Wat21  .132  .106 .983 .42  .058
Wat22  .095  .093 .795 .52  .058
Wat23  .621 .2907 .683 .39  .021
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Cancrinite
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Ballirano P, Maras A
 
European Journal of Mineralogy 16 (2004) 135-141
The crystal structure of a "disordered" cancrinite
Locality: Cava Satom, Cameroon
_database_code_amcsd 0007028
12.6216 12.6216 5.1293 90 90 120 P6_3
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      2/3    1/3  .3664       .0309  .0233  .0233  .0462  .0117      0      0
Na1   .8762  .7555  .6885  .41  .0207  .0181  .0188  .0248  .0090  .0005 -.0008
Ca1   .8762  .7555  .6885  .09  .0207  .0181  .0188  .0248  .0090  .0005 -.0008
Na2   .8719  .7469   .733 .445  .0294  .0224  .0442  .0282  .0216  .0085  .0169
Ca2   .8719  .7469   .733 .055  .0294  .0224  .0442  .0282  .0216  .0085  .0169
Si   .91733 .58917 .25081      .00850 .00816 .00943 .00829 .00469 .00018 .00043
Al   .66291 .58775 .25000      .00865 .00838 .00936 .00859 .00473 .00024 .00028
O1   .79802 .59493  .3432       .0151  .0119  .0227  .0144  .0114  .0017  .0023
O2   .88515 .44900  .2757       .0196  .0221  .0125  .0271  .0108  .0026  .0012
O3   .95548 .64105  .9557       .0158  .0141  .0247  .0097  .0105  .0029  .0040
O4   .67937 .64914  .9394       .0157  .0169  .0236  .0113  .0136  .0013  .0049
CA        0      0   .830 .403   .052  .0148  .0148  .1254  .0074      0      0
OA        0      0   .830 .020   .052  .0148  .0148  .1254  .0074      0      0
SA        0      0   .830 .015   .052  .0148  .0148  .1254  .0074      0      0
OCA   .8812  .9422   .825 .418   .054  .0198  .0194  .1202  .0085  .0068  .0033
CB        0      0   .591 .310   .046  .0154  .0154  .1083  .0077      0      0
SB        0      0   .591 .020   .046  .0154  .0154  .1083  .0077      0      0
OB        0      0   .591 .015   .046  .0154  .0154  .1083  .0077      0      0
OCB   .8802  .9403   .598 .330   .049  .0154  .0254  .1029  .0087 -.0058  .0056
Wat   .6872  .3869   .814  1/3   .058  .0745  .0740  .0309  .0414  .0016 -.0026
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Cancrinite
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Jarchow O
Download zk/vol122/ZK122_407.pdf
Zeitschrift fur Kristallographie 122 (1965) 407-422
Atomanordnung und Strukturverfeinerung von Cancrinit
Locality: Litchfield, USA
_database_code_amcsd 0019757
12.75 12.75 5.14 90 90 120 P6_3
atom     x     y     z occ Biso
Na1    2/3   1/3 .1440 .79 2.54
Ca1    2/3   1/3 .1440 .11 2.54
Fe1    2/3   1/3 .1440 .01 2.54
Na2  .1232 .2486 .2920 .79 1.74
Ca2  .1232 .2486 .2920 .11 1.74
Fe2  .1232 .2486 .2920 .01 1.74
Al   .3272 .4101 .7508      .74
Si   .0750 .4124 .7500      .73
O1   .2039 .4045 .6589     1.38
O2   .1141 .5623 .7229     1.60
O3   .0269 .3485 .0619     1.06
O4   .3150 .3587 .0407     1.53
C        0     0 .6835 .74 2.21
O5   .0584 .1200 .6857 .74 2.45
Wat  .6150 .3130 .6492 .41 3.80
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Cancrinite
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Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Kovdor massif, Kola Peninsula, Russia
Note: Enraf Nonius diffractometer
_database_code_amcsd 0012418
12.688 12.688 5.189 90 90 120 P6_3
atom     x     y     z occ Biso
Na1    2/3   1/3 .1273 .71  2.9
K    .1092 .2215  .298 .06  4.3
Ca     2/3   1/3 .1273 .03  2.9
Si   .3302 .4133 .7506     1.35
Al   .0762 .4141 .7513     1.34
O1   .2031 .4042 .6740      2.3
O2   .1191 .5657 .7278      2.9
O3   .0253 .3536 .0552      2.4
O4   .3220 .3608 .0385      2.4
Na2  .1311 .2635 .2824 .46  3.0
Na3  .1092 .2215  .298 .22  4.3
Na4  .1473 .3011  .284 .26  3.1
C1       0     0  .287 .20  2.8
O5    .115  .057  .285 .20  3.3
C2       0     0  .427 .30  2.4
O6    .090  .095  .491 .30  4.0
Wat   .300  .608  .188 .25  3.8
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Cancrinite
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Rozenberg K A, Rastsvetaeva R K, Chukanov N V
 
Crystallography Reports 54 (2009) 793-799
Crystal structures of oxalate-bearing cancrinite with an unusual
arrangement of CO3 groups and sulfate-rich davyne
Locality: Kovdor massif, Kola Peninsula, Russia
Note: Bruker SMART CCD diffractometer
_database_code_amcsd 0012419
12.688 12.688 5.189 90 90 120 P6_3
atom     x     y     z occ Biso
Si   .3301 .4131 .7506      1.1
Al   .0762 .4142 .7512      1.1
O1   .2034 .4045 .6747      2.0
O2   .1191 .5653 .7293      2.8
O3   .0260 .3538 .0541      2.1
O4   .3226 .3608 .0375      2.1
Na1    2/3   1/3 .1254 .73  2.5
Ca     2/3   1/3 .1254 .04  2.5
Na2  .1326 .2674 .2883 .52  2.4
Na3  .1102 .2202  .287 .21  4.7
K    .1102 .2202  .287 .05  4.7
Na4  .1539 .3134  .281 .22  2.6
C1       0     0  .297 .20  3.2
O5    .116  .060  .303 .20  5.5
C2       0     0  .512 .30  2.4
O6    .102  .090  .524 .30  5.2
Wat   .306  .620  .190 .25  4.0
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