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Archerite |
 |
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
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and KD2PO4 as a function of temperature |
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Sample: T = 127 K |
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_database_code_amcsd 0013164 |
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7.4264 7.4264 6.931 90 90 90 I-42d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K 0 0 .5 .00922 .00922 .0066 0 0 0 |
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H .14867 .22713 .12266 .5 .0172 .0166 .0199 -.0005 -.0018 -.0007 |
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P 0 0 0 .0052 .0052 .0081 0 0 0 |
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O .14933 .08283 .12675 .0068 .0070 .0091 .0006 -.0050 -.0017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Archerite |
|
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
|
and KD2PO4 as a function of temperature |
|
Sample: T = 295 K |
|
_database_code_amcsd 0013165 |
|
7.4521 7.4521 6.974 90 90 90 I-42d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 .5 .0204 .0204 .0141 0 0 0 |
|
H .14757 .22559 .12161 .5 .0223 .0249 .0268 -.0005 -.0019 -.0020 |
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P 0 0 0 .0106 .0106 .0138 0 0 0 |
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O .14839 .08264 .12584 .0144 .0142 .0186 .0019 -.0054 -.0039 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Archerite |
|
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
|
and KD2PO4 as a function of temperature |
|
Sample: T = 227 K |
|
_database_code_amcsd 0013166 |
|
7.459 7.459 6.957 90 90 90 I-42d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 .5 .0161 .0161 .0103 0 0 0 |
|
D .14901 .22016 .12098 .5 .0157 .0163 .0198 -.0006 -.0015 -.0018 |
|
P 0 0 0 .0088 .0088 .0141 0 0 0 |
|
O .14947 .08091 .12623 .0113 .0116 .0148 .0015 -.0041 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Archerite |
|
Nelmes R J, Meyer G M, Tibballs J E |
| |
Journal of Physics C: Solid State Physics 15 (1982) 59-75 |
|
The crystal structure of tetragonal KH2PO4 |
|
and KD2PO4 as a function of temperature |
|
Sample: T = 263 K |
|
_database_code_amcsd 0013167 |
|
7.4794 7.4794 6.995 90 90 90 I-42d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 .5 .0259 .0259 .0163 0 0 0 |
|
D .14736 .22010 .12113 .5 .0205 .0238 .0255 -.0005 -.0026 -.0033 |
|
P 0 0 0 .0139 .0139 .0174 0 0 0 |
|
O .14839 .08108 .12554 .0182 .0184 .0227 .0025 -.0072 -.0049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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