File:Ettringite structure Goetz-Neunhoeffer 2006.png
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Summary[edit]
| Description |
English: Polyhedral structure of Ettringite mineral
Al: RGB(129,178,214) [Blue], R=1.43 S: RGB(255,250,000) [Yellow], R=1.04 O: RGB(254,003,000) [Red], R=0.74 H: RGB(255,204,204) [Pink], R=0.46 Ow: RGB(076,076,076) [Grey], R=0.80 |
| Date | |
| Source |
Own work Date from: F. Goetz-Neunhoeffer, J. Neubauer, Refined ettringite (Ca6Al2(SO4)3(OH)12∙26H2O) structure for quantitative X-ray diffraction analysis, Powder Diffraction, Volume 21, Issue 1, March 2006 , pp. 4-11 doi:10.1154/1.2146207 Visualization by:K. Momma and F. Izumi, "VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data," J. Appl. Crystallogr., 44, 1272-1276 (2011). doi:10.1107/S0021889811038970 |
| Author | Meisam |
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Structure data[edit]
Symmetry[edit]
Lattice type P Space group name P 3 1 c Space group number 159 Setting number 1
Lattice parameters[edit]
a b c alpha beta gamma 11.22900 11.22900 21.47800 90.0000 90.0000 120.0000 Unit-cell volume = 2345.344552 Å^3
Structure parameters[edit]
x y z Occ. U Site Sym. 1 Ca Cal 0.00200 0.81300 0.87500 1.000 0.022 6c 1 2 Ca Ca2 0.99300 0.18400 0.12200 1.000 0.023 6c 1 3 Al Al1 0.00000 0.00000 0.00000 1.000 0.015 2a 3.. 4 Al Al2 0.00000 0.00000 0.25000 1.000 0.015 2a 3.. 5 S S1 0.33333 0.66667 0.49200 1.000 0.028 2b 3.. 6 S S2 0.33333 0.66667 0.75100 1.000 0.020 2b 3.. 7 S S3 0.33333 0.66667 0.00900 1.000 0.018 2b 3.. 8 O O13 0.33333 0.66667 0.42500 1.000 0.024 2b 3.. 9 O O14 0.33333 0.66667 0.81900 1.000 0.099 2b 3.. 10 O O15 0.33333 0.66667 0.07600 1.000 0.053 2b 3.. 11 O O16 0.19500 0.62800 0.51900 1.000 0.060 6c 1 12 O O17 0.19500 0.62000 0.72400 1.000 0.054 6c 1 13 O O18 0.19200 0.58500 0.98200 1.000 0.027 6c 1 14 O O-h1 0.99700 0.12200 0.94500 1.000 0.028 6c 1 15 H H1 0.98500 0.19200 0.96600 1.000 0.033 6c 1 16 O O-h2 0.00200 0.86900 0.05400 1.000 0.013 6c 1 17 H H2 0.01900 0.81000 0.02600 1.000 0.015 6c 1 18 O O-h3 0.99900 0.12800 0.80100 1.000 0.020 6c 1 19 H H3 0.99000 0.20000 0.77800 1.000 0.024 6c 1 20 O O-h4 0.00300 0.87100 0.19600 1.000 0.013 6c 1 21 H H4 0.00600 0.79100 0.21300 1.000 0.015 6c 1 22 Ow Ow5 0.99400 0.34200 0.04600 1.000 0.049 6c 1 23 H H5a 0.06000 0.40500 0.01700 1.000 0.060 6c 1 24 H H5b 0.92000 0.36200 0.04400 1.000 0.060 6c 1 25 Ow Ow6 0.01800 0.68400 0.95700 1.000 0.023 6c 1 26 H H6a 0.93600 0.59900 0.96500 1.000 0.028 6c 1 27 H H6b 0.09100 0.66600 0.96500 1.000 0.028 6c 1 28 Ow Ow7 0.00300 0.34000 0.20600 1.000 0.046 6c 1 29 H H7a 0.07800 0.40100 0.23200 1.000 0.054 6c 1 30 H H7b 0.92300 0.33400 0.22100 1.000 0.054 6c 1 31 Ow Ow8 0.99000 0.63000 0.79500 1.000 0.039 6c 1 32 H H8a 0.91800 0.53600 0.79300 1.000 0.047 6c 1 33 H H8b 0.07300 0.62700 0.79200 1.000 0.047 6c 1 34 Ow Ow9 0.26500 0.40600 0.62200 1.000 0.037 6c 1 35 H H9a 0.29300 0.47600 0.65400 1.000 0.044 6c 1 36 H H9b 0.29500 0.45600 0.58400 1.000 0.044 6c 1 37 Ow Ow10 0.78900 0.62400 0.36200 1.000 0.061 6c 1 38 H H10a 0.75400 0.55600 0.33000 1.000 0.073 6c 1 39 H H10b 0.76400 0.57300 0.40000 1.000 0.073 6c 1 40 Ow Ow11 0.26600 0.40800 0.12600 1.000 0.061 6c 1 41 H H11a 0.33700 0.38800 0.11600 1.000 0.073 6c 1 42 H H11b 0.29100 0.49200 0.10400 1.000 0.073 6c 1 43 Ow Ow12 0.75200 0.59800 0.86500 1.000 0.022 6c 1 44 H H12a 0.69900 0.63900 0.87700 1.000 0.025 6c 1 45 H H12b 0.68700 0.50200 0.86000 1.000 0.025 6c 1 46 Ow Ow19 0.22700 0.68500 0.24300 0.667 0.068 6c 1 47 H H19a 0.32500 0.72800 0.23900 0.667 0.082 6c 1 48 H H19b 0.20000 0.72700 0.21100 0.667 0.082 6c 1
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
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| current | 15:19, 6 September 2017 | | 3,180 × 2,564 (3.18 MB) | Meisam (talk | contribs) | User created page with UploadWizard |
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