American Mineralogist Crystal Structure Database

17 matching records for this search.

Leucite
Download hom/leucite.pdf
Mazzi F, Galli E, Gottardi G
Download am/vol61/AM61_108.pdf
American Mineralogist 61 (1976) 108-115
The crystal structure of tetragonal leucite
_database_code_amcsd 0000496
13.090 13.090 13.750 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K    .3660 .3645 .1147      .0039  .0046  .0090 -.0006  .0000 -.0015
Al1  .0579 .3964 .1666 .32  .0015  .0010  .0013 -.0001 -.0001 -.0002
Al2  .1676 .6115 .1283 .32  .0012  .0014  .0011 -.0002 -.0001  .0003
Al3  .3924 .6418 .0860 .32  .0013  .0016  .0012  .0001  .0000 -.0002
Si1  .0579 .3964 .1666 .68  .0015  .0010  .0013 -.0001 -.0001 -.0002
Si2  .1676 .6115 .1283 .68  .0012  .0014  .0011 -.0002 -.0001  .0003
Si3  .3924 .6418 .0860 .68  .0013  .0016  .0012  .0001  .0000 -.0002
O1   .1318 .3131 .1100      .0042  .0025  .0033  .0000  .0006 -.0007
O2   .0921 .5107 .1303      .0039  .0024  .0036 -.0012  .0001  .0002
O3   .1453 .6798 .2275      .0033  .0030  .0016 -.0006  .0000 -.0001
O4   .1333 .6841 .0354      .0029  .0033  .0018  .0015  .0005  .0007
O5   .2900 .5772 .1205      .0023  .0025  .0035  .0007 -.0005  .0002
O6   .4826 .6174 .1667      .0027  .0026  .0026 -.0007  .0000  .0005
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View JMOL 3-D Structure (permalink)
 
Leucite
Download hom/leucite.pdf
Dove M T, Cool T, Palmer D C, Putnis A, Salje E K H, Winkler B
Download am/vol78/AM78_486.pdf
American Mineralogist 78 (1993) 486-492
On the role of Al-Si ordering in the cubic-tetragonal phase transition of
leucite
Sample is Disordered
_database_code_amcsd 0001556
12.988 12.988 13.800 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ
K    .3660 .3631 .1073
Si1  .0563 .3971 .1671 2/3
Al1  .0563 .3971 .1671 1/3
Si2  .1668 .6115 .1269 2/3
Al2  .1668 .6115 .1269 1/3
Si3  .3929 .6407 .0848 2/3
Al3  .3929 .6407 .0848 1/3
O1   .1327 .3162 .1097
O2   .0881 .5135 .1329
O3   .1459 .6819 .2257
O4   .1325 .6857 .0359
O5   .2894 .5733 .1183
O6   .4839 .6161 .1659
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Leucite
Download hom/leucite.pdf
Dove M T, Cool T, Palmer D C, Putnis A, Salje E K H, Winkler B
Download am/vol78/AM78_486.pdf
American Mineralogist 78 (1993) 486-492
On the role of Al-Si ordering in the cubic-tetragonal phase transition of
leucite
Sample is Order model 1
_database_code_amcsd 0001557
12.931 12.931 13.812 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z
K    .3713 .3568 .1129
Si1  .0556 .3960 .1681
Al   .1698 .6098 .1267
Si2  .3978 .6361 .0844
O1   .1296 .3154 .1097
O2   .0867 .5076 .1328
O3   .1429 .6857 .2281
O4   .1299 .6868 .0320
O5   .2994 .5700 .1183
O6   .4899 .6167 .1636
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Leucite
Download hom/leucite.pdf
Dove M T, Cool T, Palmer D C, Putnis A, Salje E K H, Winkler B
Download am/vol78/AM78_486.pdf
American Mineralogist 78 (1993) 486-492
On the role of Al-Si ordering in the cubic-tetragonal phase transition of
leucite
Sample is Order model 2
_database_code_amcsd 0001558
13.005 13.005 13.765 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ
K    .3618 .3619 .1197
Si1  .0564 .3982 .1672  .5
Al1  .0564 .3982 .1672  .5
Si2  .1671 .6134 .1283 .75
Al2  .1671 .6134 .1283 .25
Si3  .3926 .6413 .0861 .75
Al3  .3926 .6413 .0861 .25
O1   .1352 .3168 .1117
O2   .0902 .5159 .1330
O3   .1471 .6816 .2284
O4   .1352 .6887 .0388
O5   .2898 .5758 .1209
O6   .4838 .6175 .1663
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Leucite
Download hom/leucite.pdf
Palmer D C, Dove M T, Ibberson R M, Powell B M
Download am/vol82/AM82_16.pdf
American Mineralogist 82 (1997) 16-29
Structural behavior, crystal chemistry and phase transitions in substituted
leucites: High-resolution neutron powder diffraction studies
Sample: Natural, Expt. no. 3003, T = 298 K, KAlSi2O6
_database_code_amcsd 0001851
13.05476 13.05476 13.75182 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K    .3659 .3637 .1169     .004371 .002963 .010549 -.000733  .000042 -.000794
Si1  .0574 .3969 .1665 2/3 .000851 .000103 .000939 -.000073  .000613 -.000125
Si2  .1675 .6116 .1287 2/3 .000352 .001232 .000106 -.000220 -.000306  .000585
Si3  .3930 .6420 .0862 2/3 .000235 .000880 .000912 -.000264 -.000195 -.001058
Al1  .0574 .3969 .1665 1/3 .000851 .000103 .000939 -.000073  .000613 -.000125
Al2  .1675 .6116 .1287 1/3 .000352 .001232 .000106 -.000220 -.000306  .000585
Al3  .3930 .6420 .0862 1/3 .000235 .000880 .000912 -.000264 -.000195 -.001058
O1   .1324 .3141 .1099     .003711 .001863 .004217  .000865  .000487 -.000822
O2   .0908 .5112 .1308     .003198 .002640 .002128 -.000733 -.000084  .000097
O3   .1461 .6808 .2278     .002714 .001878 .001229 -.000205  .000668 -.000181
O4   .1331 .6851 .0348     .002156 .003315 .001679  .000337 -.000056  .000780
O5   .2889 .5756 .1204     .000997 .001672 .003001  .000044  .000529 -.000056
O6   .4836 .6172 .1673     .001188 .001966 .001348 -.000073 -.000265  .000376
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Leucite
Download hom/leucite.pdf
Palmer D C, Dove M T, Ibberson R M, Powell B M
Download am/vol82/AM82_16.pdf
American Mineralogist 82 (1997) 16-29
Structural behavior, crystal chemistry and phase transitions in substituted
leucites: High-resolution neutron powder diffraction studies
Sample: Expt. no. 2830, T = 298 K, RbAlSi2O6
_database_code_amcsd 0001852
13.29180 13.29180 13.74118 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Rb   .3654 .3636 .1221     .004882 .003736 .006527 -.000311 -.000370 -.000424
Si1  .0643 .3926 .1656 2/3 .004429 .002986 .004859  .000665  .000739 -.000739
Si2  .1684 .6060 .1283 2/3 .004740 .002759 .004277 -.001245  .000110  .000274
Si3  .3911 .6447 .0864 2/3 .003750 .002519 .002396 -.000311  .000616  .000068
Al1  .0643 .3926 .1656 1/3 .004429 .002986 .004859  .000665  .000739 -.000739
Al2  .1684 .6060 .1283 1/3 .004740 .002759 .004277 -.001245  .000110  .000274
Al3  .3911 .6447 .0864 1/3 .003750 .002519 .002396 -.000311  .000616  .000068
O1   .1324 .3054 .1099     .003736 .003778 .002489  .000750 -.000068  .000411
O2   .1039 .5015 .1265     .002519 .002858 .004051  .000071  .000520  .000287
O3   .1398 .6729 .2260     .002307 .003495 .002807  .000028 -.000246  .000671
O4   .1317 .6761 .0338     .001656 .001316 .002608 -.000552  .000014 -.000356
O5   .2899 .5808 .1237     .000580 .000722 .001072 -.000283  .000548  .000329
O6   .4822 .6174 .1638     .000934 .001075 .000821  .000127  .000014 -.001013
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View JMOL 3-D Structure (permalink)
 
Leucite
Download hom/leucite.pdf
Palmer D C, Dove M T, Ibberson R M, Powell B M
Download am/vol82/AM82_16.pdf
American Mineralogist 82 (1997) 16-29
Structural behavior, crystal chemistry and phase transitions in substituted
leucites: High-resolution neutron powder diffraction studies
Sample: Expt. no. 2828, T = 298 K, CsAlSi2O6
_database_code_amcsd 0001853
13.6524 13.6524 13.7216 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ Biso
Cs   .3701 .3698 .1238     2.63
Si1  .0801 .3832 .1625 2/3  .72
Si2  .1667 .5958 .1234 2/3  .43
Si3  .3852 .6555 .0850 2/3 1.29
Al1  .0801 .3832 .1625 1/3  .72
Al2  .1667 .5958 .1234 1/3  .43
Al3  .3852 .6555 .0850 1/3 1.29
O1   .1347 .2883 .1084     2.02
O2   .1289 .4814 .1160     2.39
O3   .1183 .6502 .2204     2.24
O4   .1274 .6577 .0300     2.57
O5   .2874 .5923 .1293     2.32
O6   .4764 .6160 .1540     2.51
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Leucite
Download hom/leucite.pdf
Palmer D C, Dove M T, Ibberson R M, Powell B M
Download am/vol82/AM82_16.pdf
American Mineralogist 82 (1997) 16-29
Structural behavior, crystal chemistry and phase transitions in substituted
leucites: High-resolution neutron powder diffraction studies
Sample: Expt. no. 3757, T = 298 K, KFeSi2O6
_database_code_amcsd 0001854
13.20357 13.20357 13.95446 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
K    .3650 .3624 .1162 .90 .012146 .002940 .013711  .000100 -.005889 -.004410
Si1  .0579 .3964 .1665 2/3 .000516 .002280 .004018  .000000 -.000597 -.001221
Si2  .1673 .6123 .1265 2/3 .001993 .003972 .000347 -.000832 -.000950  .000136
Si3  .3905 .6444 .0843 2/3 .002696 .002854 .000783 -.000789  .000190 -.000611
O1   .1310 .3155 .1087     .010124 .004718 .010797 -.001534  .001981  .000299
O2   .0862 .5128 .1329     .004560 .008891 .006869 -.000803 -.001628  .000054
O3   .1463 .6828 .2274     .005994 .004618 .005020  .001477  .002877  .000760
O4   .1282 .6843 .0364     .004173 .008661 .003184  .000746  .001411  .001167
O5   .2892 .5729 .1234     .005621 .003513 .005675 -.000832  .001058 -.002090
O6   .4813 .6183 .1684     .002567 .005005 .006162  .002251 -.000787 -.000692
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P = 0.0001 GPa in air
_database_code_amcsd 0004673
13.084 13.084 13.784 90 90 90 *I4_1/a
0 .25 .125
atom     x     y      z  occ  Uiso
KK   .3659 .3643  .1144 .948 .0642
NaK  .3659 .3643  .1144 .026 .0642
FeT1 .0576 .3964  .1666 .003 .0242
AlT1 .0576 .3964  .1666 .330 .0242
SiT1 .0576 .3964  .1666 .667 .0242
FeT2 .1678 .6114  .1284 .003 .0244
AlT2 .1678 .6114  .1284 .330 .0244
SiT2 .1678 .6114  .1284 .667 .0244
FeT3 .3922 .6419  .0860 .003 .0237
AlT3 .3922 .6419  .0860 .330 .0237
SiT3 .3922 .6419  .0860 .667 .0237
O1   .1328 .3144  .1105       .040
O2   .0918 .5115  .1311       .036
O3   .1460 .6806  .2274       .032
O4   .1341 .6856  .0367       .036
O5   .2896 .5752  .1201       .032
O6   .4828 .6177  .1666       .031
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P = 0.0001 GPa in diamond cell
_database_code_amcsd 0004674
13.097 13.097 13.755 90 90 90 *I4_1/a
0 .25 .125
atom      x     y      z  occ Uiso
KK   .36444 .3632  .1146 .948 .063
NaK  .36444 .3632  .1146 .026 .063
FeT1  .0586 .3966  .1668 .003 .012
AlT1  .0586 .3966  .1668 .330 .012
SiT1  .0586 .3966  .1668 .667 .012
FeT2  .1683 .6101  .1281 .003 .012
AlT2  .1683 .6101  .1281 .330 .012
SiT2  .1683 .6101  .1281 .667 .012
FeT3  .3925 .6417  .0870 .003 .012
AlT3  .3925 .6417  .0870 .330 .012
SiT3  .3925 .6417  .0870 .667 .012
O1    .1342 .3125  .1114      .020
O2    .0886 .5107  .1284      .020
O3    .1441 .6773  .2274      .020
O4    .1320 .6837  .0363      .020
O5    .2899 .5756  .1221      .020
O6    .4839 .6179  .1665      .020
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P = 0.38 GPa
_database_code_amcsd 0004675
13.053 13.053 13.732 90 90 90 *I4_1/a
0 .25 .125
atom      x     y      z  occ  Uiso
KK    .3660 .3648  .1149 .948  .052
NaK   .3660 .3648  .1149 .026  .052
FeT1  .0569 .3970  .1669 .003 .0094
AlT1  .0569 .3970  .1669 .330 .0094
SiT1  .0569 .3970  .1669 .667 .0094
FeT2  .1690 .6105  .1273 .003 .0094
AlT2  .1690 .6105  .1273 .330 .0094
SiT2  .1690 .6105  .1273 .667 .0094
FeT3  .3926 .6414  .0864 .003 .0094
AlT3  .3926 .6414  .0864 .330 .0094
SiT3  .3926 .6414  .0864 .667 .0094
O1    .1308 .3137  .1103       .016
O2    .0900 .5114  .1295       .016
O3    .1438 .6794  .2261       .016
O4    .1279 .6851  .0358       .016
O5    .2896 .5725  .1197       .016
O6    .4838 .6149  .1659       .016
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P = 1.20 GPa
_database_code_amcsd 0004676
12.955 12.955 13.684 90 90 90 *I4_1/a
0 .25 .125
atom      x     y      z  occ Uiso
KK    .3650 .3640  .1156 .948 .050
NaK   .3650 .3640  .1156 .026 .050
FeT1  .0552 .3971  .1679 .003 .011
AlT1  .0552 .3971  .1679 .330 .011
SiT1  .0552 .3971  .1679 .667 .011
FeT2  .1672 .6130  .1281 .003 .011
AlT2  .1672 .6130  .1281 .330 .011
SiT2  .1672 .6130  .1281 .667 .011
FeT3  .3920 .6399  .0875 .003 .011
AlT3  .3920 .6399  .0875 .330 .011
SiT3  .3920 .6399  .0875 .667 .011
O1    .1325 .3154  .1119      .016
O2    .0884 .5126  .1311      .016
O3    .1466 .6832  .2277      .016
O4    .1314 .6876  .0359      .016
O5    .2875 .5713  .1209      .016
O6    .4843 .6156  .1678      .016
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P = 1.77 GPa
_database_code_amcsd 0004677
12.891 12.891 13.653 90 90 90 *I4_1/a
0 .25 .125
atom      x     y      z  occ Uiso
KK    .3648 .3636  .1171 .948 .043
NaK   .3648 .3636  .1171 .026 .043
FeT1  .0543 .3994  .1670 .003 .012
AlT1  .0543 .3994  .1670 .330 .012
SiT1  .0543 .3994  .1670 .667 .012
FeT2  .1663 .6132  .1289 .003 .012
AlT2  .1663 .6132  .1289 .330 .012
SiT2  .1663 .6132  .1289 .667 .012
FeT3  .3921 .6401  .0867 .003 .012
AlT3  .3921 .6401  .0867 .330 .012
SiT3  .3921 .6401  .0867 .667 .012
O1    .1339 .3174  .1118      .019
O2    .0859 .5147  .1290      .019
O3    .1479 .6847  .2280      .019
O4    .1325 .6907  .0372      .019
O5    .2873 .5714  .1178      .019
O6    .4823 .6180  .1704      .019
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Leucite
Download hom/leucite.pdf
Gatta G D, Rotiroti N, Ballaran T B, Pavese A
Download am/vol93/AM93_1588.pdf
American Mineralogist 93 (2008) 1588-1596
Leucite at high pressure: Elastic behavior, phase stability,
and petrological implications
Locality: Sabatini volcanic district, Lazium, Italy
Note: P =  .0001 GPa in air after decompression
_database_code_amcsd 0004678
13.073 13.073 13.731 90 90 90 *I4_1/a
0 .25 .125
atom      x     y      z  occ  Uiso
KK   .36560 .3642  .1138 .948 .0498
NaK  .36560 .3642  .1138 .026 .0498
FeT1  .0574 .3964  .1669 .003 .0109
AlT1  .0574 .3964  .1669 .330 .0109
SiT1  .0574 .3964  .1669 .667 .0109
FeT2  .1674 .6115  .1281 .003 .0101
AlT2  .1674 .6115  .1281 .330 .0101
SiT2  .1674 .6115  .1281 .667 .0101
FeT3  .3925 .6417 .08628 .003 .0102
AlT3  .3925 .6417 .08628 .330 .0102
SiT3  .3925 .6417 .08628 .667 .0102
O1    .1320 .3146  .1101      .0270
O2    .0914 .5111  .1309      .0237
O3    .1455 .6804  .2272      .0173
O4    .1334 .6851  .0360      .0217
O5    .2893 .5760  .1205      .0197
O6    .4836 .6173  .1668      .0176
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Leucite
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Peacor D R
Download zk/vol127/ZK127_213.pdf
Zeitschrift fur Kristallographie 127 (1968) 213-224
A high temperature single crystal diffractometer study of leucite, (K,Na)AlSi2O6
Sample: T = 635 C
Locality: Vesuvius, Italy
Note: cell parameters were not reported in the paper. A value was chosen
that reproduced the reported bond lengths and thermal ellipsoid axes.
_database_code_amcsd 0010665
13.53 13.53 13.53 90 90 90 Ia-3d
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K     .125  .125  .125 .85   .021   .021   .021  .0022  .0022  .0022
Na    .125  .125  .125 .15   .021   .021   .021  .0022  .0022  .0022
Al    .125 .6622 .5878 1/3  .0035  .0039  .0039  .0005  .0005  .0000
Si    .125 .6622 .5878 2/3  .0035  .0039  .0039  .0005  .0005  .0000
O    .1033 .1322 .7200      .0137  .0113  .0051  .0041  .0032  .0005
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Leucite
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Wyart M
 
Bulletin de la Societe Francaise de Mineralogie 63 (1940) 5-17
Etude cristallographique d'une leucite artificielle. Structure atomique
et symetrie du mineral
_cod_database_code 1010431
_database_code_amcsd 0017354
13.40 13.40 13.40 90 90 90 Ia3d
atom    x    y    z occ
K    .125 .125 .125
Al   .161 .089 .625 .33
Si   .161 .089 .625 .67
O    .111 .131 .722
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Leucite high
 
Wyart M
 
Bulletin de la Societe Francaise de Mineralogie 63 (1940) 5-17
Etude cristallographique d'une leucite artificielle. Structure atomique
et symetrie du mineral
_cod_database_code 1011086
_database_code_amcsd 0017982
13.43 13.43 13.43 90 90 90 Ia3d
atom    x    y    z   occ
K1   .125 .125 .125
Al1  .161 .089 .625 .3333
Si1  .161 .089 .625 .6667
O1   .111 .161 .722
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 17
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