|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
 |
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004407 |
|
8.370 12.967 14.262 90.58 115.55 90.44 I-1 |
|
atom x y z occ Uiso |
|
Ca0 .2691 .0001 .0669 .2 .015 |
|
Sr0 .2691 .0001 .0669 .8 .015 |
|
Caz .2676 .0064 .5636 .2 .009 |
|
Srz .2676 .0064 .5636 .8 .009 |
|
Si100 .0070 .1710 .1070 .008 |
|
Al10z .0023 .1759 .6156 .009 |
|
Al1m0 .0030 .8182 .1179 .009 |
|
Si1mz .0062 .8246 .6088 .011 |
|
Al200 .6920 .1197 .1675 .009 |
|
Si20z .6827 .1124 .6687 .012 |
|
Si2m0 .6839 .8847 .1745 .011 |
|
Al2mz .6933 .8792 .6722 .010 |
|
OA10 .0069 .1305 .9998 .015 |
|
OA1z .9948 .1283 .4969 .015 |
|
OA20 .5885 .9997 .1420 .017 |
|
OA2z .5875 .0002 .6414 .012 |
|
OB00 .8260 .1224 .1011 .014 |
|
OB0z .8078 .1189 .6073 .015 |
|
OBm0 .8071 .8698 .1151 .019 |
|
OBmz .8263 .8658 .6077 .015 |
|
OC00 .0162 .2951 .1241 .020 |
|
OC0z .0188 .3081 .6372 .020 |
|
OCm0 .0137 .6886 .1248 .021 |
|
OCmz .0094 .6979 .6119 .015 |
|
OD00 .1856 .1182 .1939 .016 |
|
OD0z .1973 .1093 .7004 .020 |
|
ODm0 .1976 .8779 .2070 .012 |
|
ODmz .1871 .8716 .6986 .018 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 3.2 GPa |
|
_database_code_amcsd 0004408 |
|
8.256 12.842 14.088 90.51 115.38 90.88 I-1 |
|
atom x y z occ Uiso |
|
Ca0 .2675 .0033 .0674 .2 .019 |
|
Sr0 .2675 .0033 .0674 .8 .019 |
|
Caz .2662 .0059 .5645 .2 .013 |
|
Srz .2662 .0059 .5645 .8 .013 |
|
Si100 .0023 .1691 .1061 .010 |
|
Al10z .9992 .1725 .6154 .009 |
|
Al1m0 .9985 .8182 .1176 .011 |
|
Si1mz .0016 .8193 .6084 .009 |
|
Al200 .6881 .1198 .1674 .010 |
|
Si20z .6790 .1105 .6678 .011 |
|
Si2m0 .6793 .8841 .1751 .010 |
|
Al2mz .6883 .8765 .6724 .010 |
|
OA10 .0031 .1260 .9972 .013 |
|
OA1z .9964 .1336 .4981 .014 |
|
OA20 .5829 .9929 .1433 .019 |
|
OA2z .5829 .9972 .6450 .018 |
|
OB00 .8209 .1125 .0991 .019 |
|
OB0z .7996 .1188 .6028 .017 |
|
OBm0 .8018 .8642 .1127 .017 |
|
OBmz .8210 .8674 .6068 .017 |
|
OC00 .0043 .2967 .1214 .012 |
|
OC0z .0116 .3035 .6397 .017 |
|
OCm0 .0072 .6864 .1228 .019 |
|
OCmz .9987 .6913 .6116 .018 |
|
OD00 .1860 .1209 .1925 .015 |
|
OD0z .1966 .1167 .7001 .018 |
|
ODm0 .1977 .8768 .2084 .017 |
|
ODmz .1877 .8713 .6994 .017 |
|
|
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|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 4.4 GPa |
|
_database_code_amcsd 0004409 |
|
8.209 12.780 14.009 90 115.27 90 I2/c |
|
atom x y z occ Uiso |
|
Ca .2672 -.0005 .0671 .2 .029 |
|
Sr .2672 -.0005 .0671 .8 .029 |
|
Si10 .9993 .1743 .1071 .037 |
|
Al1z .9964 .1785 .6169 .033 |
|
Al20 .6870 .1198 .1703 .035 |
|
Si2z .6794 .1125 .6721 .036 |
|
OA1 .0019 .1267 .9978 .038 |
|
OA2 .5857 .9950 .1473 .046 |
|
OB0 .8185 .1205 .1025 .042 |
|
OBz .7976 .1255 .6075 .044 |
|
OC0 .0012 .3004 .1177 .047 |
|
OCz .0051 .3135 .6311 .056 |
|
OD0 .1864 .1248 .1975 .047 |
|
ODz .1932 .1207 .7052 .048 |
|
|
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|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 6.2 GPa |
|
_database_code_amcsd 0004410 |
|
8.128 12.671 13.866 90 114.98 90 I2/c |
|
atom x y z occ Uiso |
|
Ca .2654 .0009 .0685 .2 .043 |
|
Sr .2654 .0009 .0685 .8 .043 |
|
Si10 .9955 .1773 .1070 .044 |
|
Al1z .9933 .1755 .6176 .043 |
|
Al20 .6844 .1243 .1707 .041 |
|
Si2z .6748 .1131 .6720 .044 |
|
OA1 .0027 .1293 .9981 .034 |
|
OA2 .5812 .0033 .1482 .055 |
|
OB0 .8186 .1180 .1045 .060 |
|
OBz .7940 .1171 .6048 .054 |
|
OC0 .9884 .3034 .1141 .054 |
|
OCz .9955 .3115 .6267 .055 |
|
OD0 .1832 .1249 .1943 .054 |
|
ODz .1915 .1171 .7020 .056 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 7.4 GPa |
|
_database_code_amcsd 0004411 |
|
8.116 12.410 13.728 90 114.19 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca0 .5393 .2571 .3142 .2 .015 |
|
Sr0 .5393 .2571 .3142 .8 .015 |
|
Cai .0120 .7417 .8229 .2 .015 |
|
Sri .0120 .7417 .8229 .8 .015 |
|
Si100 .2475 .4267 .3635 .012 |
|
Si10i .7281 .9395 .8447 .012 |
|
Al1z0 .2520 .4135 .8732 .014 |
|
Al1zi .7399 .9518 .3602 .010 |
|
Al200 .9410 .3890 .4291 .011 |
|
Al20i .4274 .8679 .9164 .011 |
|
Si2z0 .9393 .3521 .9351 .012 |
|
Si2zi .4207 .8726 .4235 .012 |
|
OA10 .2652 .3856 .2532 .013 |
|
OA1i .7568 .8757 .7506 .019 |
|
OA20 .8621 .2711 .4515 .025 |
|
OA2i .3275 .7406 .8725 .023 |
|
OB00 .0638 .3729 .3516 .019 |
|
OB0i .5478 .8832 .8410 .027 |
|
OBz0 .0571 .3506 .8671 .023 |
|
OBzi .5575 .8982 .3700 .027 |
|
OC00 .2373 .5578 .3785 .021 |
|
OC0i .7217 .0710 .8394 .029 |
|
OCz0 .2521 .5498 .8946 .025 |
|
OCzi .7545 .0951 .3674 .018 |
|
OD00 .4333 .3764 .4524 .025 |
|
OD0i .9077 .9128 .9466 .039 |
|
ODz0 .4647 .3613 .9510 .018 |
|
ODzi .9423 .8911 .4473 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
 |
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 0.0001 GPa |
|
_database_code_amcsd 0008825 |
|
11.299 3.8313 11.227 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0290 .25 .6738 .0180 |
|
Sb2 .3503 .25 .4641 .0218 |
|
S1 .0493 .25 .1226 .0150 |
|
S2 .3745 .25 .0612 .0152 |
|
S3 .2077 .25 .8071 .0154 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 1.115 GPa |
|
_database_code_amcsd 0008826 |
|
11.098 3.8232 11.091 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0250 .25 .6740 .0146 |
|
Sb2 .3468 .25 .4638 .0212 |
|
S1 .0529 .25 .1236 .0102 |
|
S2 .3767 .25 .0615 .0120 |
|
S3 .2098 .25 .8068 .0164 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 1.591 GPa |
|
_database_code_amcsd 0008827 |
|
11.044 3.8124 11.043 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0242 .25 .6741 .0177 |
|
Sb2 .3467 .25 .4636 .0157 |
|
S1 .0515 .25 .1246 .0115 |
|
S2 .3775 .25 .0612 .0140 |
|
S3 .2123 .25 .8066 .0143 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 2.118 GPa |
|
_database_code_amcsd 0008828 |
|
10.959 3.8060 10.983 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0223 .25 .6740 .0151 |
|
Sb2 .3458 .25 .4636 .0121 |
|
S1 .0506 .25 .1254 .0113 |
|
S2 .3736 .25 .0607 .0130 |
|
S3 .2113 .25 .8056 .0134 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 3.235 GPa |
|
_database_code_amcsd 0008829 |
|
10.836 3.7919 10.884 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0193 .25 .6740 .0103 |
|
Sb2 .3430 .25 .4634 .0160 |
|
S1 .0526 .25 .1258 .0100 |
|
S2 .3736 .25 .0605 .0121 |
|
S3 .2152 .25 .8037 .0131 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 7.406 GPa |
|
_database_code_amcsd 0008830 |
|
10.529 3.7458 10.604 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0119 .25 .6735 .0154 |
|
Sb2 .3389 .25 .4632 .0175 |
|
S1 .0510 .25 .1270 .0068 |
|
S2 .3709 .25 .0606 .0140 |
|
S3 .2208 .25 .7994 .0125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E |
| |
Physics and Chemistry of Minerals 30 (2003) 463-468 |
|
Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa |
|
Sample: Romania, P = 7.832 GPa |
|
_database_code_amcsd 0008831 |
|
10.508 3.7409 10.579 90 90 90 Pnma |
|
atom x y z Uiso |
|
Sb1 .0120 .25 .6734 .0159 |
|
Sb2 .3376 .25 .4631 .0167 |
|
S1 .0524 .25 .1271 .0108 |
|
S2 .3715 .25 .0601 .0125 |
|
S3 .2185 .25 .7992 .0129 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity |
|
of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = .0001 GPa |
|
_database_code_amcsd 0009004 |
|
11.269 3.9717 11.129 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 .0164 .25 .6745 .0204 |
|
Bi2 .3406 .25 .4661 .0210 |
|
S1 .0494 .25 .1311 .019 |
|
S2 .3773 .25 .0604 .022 |
|
S3 .2165 .25 .8069 .019 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = .97 GPa |
|
_database_code_amcsd 0009005 |
|
11.136 3.9574 11.035 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 .0123 .25 .6746 .0192 |
|
Bi2 .3381 .25 .4658 .0223 |
|
S1 .0503 .25 .1266 .014 |
|
S2 .3742 .25 .0603 .016 |
|
S3 .2171 .25 .8062 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 2.43 GPa |
|
_database_code_amcsd 0009006 |
|
10.987 3.9353 10.903 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 .0077 .25 .6744 .0168 |
|
Bi2 .3347 .25 .4660 .0200 |
|
S1 .0526 .25 .1294 .015 |
|
S2 .3744 .25 .0591 .017 |
|
S3 .2200 .25 .8033 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 3.53 GPa |
|
_database_code_amcsd 0009007 |
|
10.907 3.9191 10.822 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 .0049 .25 .6744 .0173 |
|
Bi2 .3331 .25 .4663 .0209 |
|
S1 .0527 .25 .1280 .012 |
|
S2 .3737 .25 .0610 .014 |
|
S3 .2211 .25 .8026 .021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 5.92 GPa |
|
_database_code_amcsd 0009008 |
|
10.758 3.8833 10.650 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 -.0004 .25 .6744 .0161 |
|
Bi2 .3292 .25 .4668 .0182 |
|
S1 .0523 .25 .1297 .014 |
|
S2 .3754 .25 .0599 .015 |
|
S3 .2207 .25 .7983 .012 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 7.22 GPa |
|
_database_code_amcsd 0009009 |
|
10.701 3.8655 10.565 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 -.0029 .25 .6744 .0160 |
|
Bi2 .3275 .25 .4674 .0177 |
|
S1 .0493 .25 .1296 .011 |
|
S2 .3745 .25 .0607 .016 |
|
S3 .2232 .25 .7990 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 8.30 GPa |
|
_database_code_amcsd 0009010 |
|
10.659 3.8525 10.510 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 -.0046 .25 .6746 .0157 |
|
Bi2 .3263 .25 .4674 .0167 |
|
S1 .0534 .25 .1301 .012 |
|
S2 .3752 .25 .0613 .014 |
|
S3 .2225 .25 .7966 .015 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bismuthinite |
|
Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T |
| |
Physics and Chemistry of Minerals 32 (2005) 578-584 |
|
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa |
|
Locality: synthetic |
|
Sample: P = 9.18 GPa |
|
_database_code_amcsd 0009011 |
|
10.634 3.8423 10.463 90 90 90 Pnma |
|
atom x y z Uiso |
|
Bi1 -.0056 .25 .6748 .0155 |
|
Bi2 .3253 .25 .4677 .0171 |
|
S1 .0529 .25 .1296 .013 |
|
S2 .3724 .25 .0602 .015 |
|
S3 .2223 .25 .7963 .013 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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