|
Cancrinite |
 |
Fechtelkord M, Stief F, Buhl J-C |
 |
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Fechtelkord M, Stief F, Buhl J-C |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Fechtelkord M, Posnatzki B, Buhl J-C, Fyfe C A, Groat L A, Raudsepp M |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Antao S M, Parise J B |
|
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 |
|
Hassan I, Antao S M, Parise J B |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Grundy H D, Hassan I |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Hassan I, Grundy H D |
|
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 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
Jarchow O |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cancrinite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 