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Last change
on this file since 5164 was
4946,
checked in by vondreele, 2 years ago
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delete 2dtexture - will be rebuilt
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Property svn:mime-type set to
text/html
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File size:
1.3 KB
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| Line | |
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| 1 | data_global |
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| 2 | _chemical_name_mineral 'Kaolinite' |
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| 3 | loop_ |
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| 4 | _publ_author_name |
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| 5 | 'Bish D L' |
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| 6 | 'Von Dreele R B' |
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| 7 | _journal_name_full 'Clays and Clay Minerals' |
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| 8 | _journal_volume 37 |
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| 9 | _journal_year 1989 |
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| 10 | _journal_page_first 289 |
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| 11 | _journal_page_last 296 |
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| 12 | _publ_section_title |
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| 13 | ; |
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| 14 | Rietveld refinement of non-hydrogen atomic positions in kaolinite |
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| 15 | Note: clay |
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| 16 | ; |
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| 17 | _database_code_amcsd 0012232 |
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| 18 | _chemical_compound_source 'Keokuk, Iowa, USA' |
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| 19 | _chemical_formula_sum 'Al2 Si2 O9 H4' |
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| 20 | _cell_length_a 5.1554 |
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| 21 | _cell_length_b 8.9448 |
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| 22 | _cell_length_c 7.4048 |
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| 23 | _cell_angle_alpha 91.700 |
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| 24 | _cell_angle_beta 104.862 |
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| 25 | _cell_angle_gamma 89.822 |
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| 26 | _cell_volume 329.893 |
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| 27 | _exptl_crystal_density_diffrn 2.599 |
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| 28 | _symmetry_space_group_name_H-M 'C 1' |
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| 29 | loop_ |
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| 30 | _space_group_symop_operation_xyz |
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| 31 | 'x,y,z' |
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| 32 | '1/2+x,1/2+y,z' |
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| 33 | loop_ |
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| 34 | _atom_site_label |
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| 35 | _atom_site_fract_x |
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| 36 | _atom_site_fract_y |
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| 37 | _atom_site_fract_z |
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| 38 | Al1 0.29710 0.49570 0.47210 |
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| 39 | Al2 0.79260 0.33000 0.46990 |
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| 40 | Si1 0.99420 0.33930 0.09090 |
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| 41 | Si2 0.50640 0.16650 0.09130 |
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| 42 | O1 0.05010 0.35390 0.31700 |
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| 43 | O2 0.12140 0.66040 0.31750 |
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| 44 | O3 0.00000 0.50000 0.00000 |
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| 45 | O4 0.20850 0.23050 0.02470 |
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| 46 | O5 0.20120 0.76570 0.00320 |
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| 47 | O-H1 0.05100 0.96980 0.32200 |
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| 48 | O-H2 0.96490 0.16650 0.60510 |
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| 49 | O-H3 0.03480 0.47690 0.60800 |
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| 50 | O-H4 0.03340 0.85700 0.60940 |
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| 51 | |
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