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| #------------------------------------------------------------------------------ | |
| #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ | |
| #$Revision: 85285 $ | |
| #$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000046.cif $ | |
| #------------------------------------------------------------------------------ | |
| # | |
| # This file is available in the Crystallography Open Database (COD), | |
| # http://www.crystallography.net/. The original data for this entry | |
| # were provided the American Mineralogist Crystal Structure Database, | |
| # http://rruff.geo.arizona.edu/AMS/amcsd.php | |
| # | |
| # The file may be used within the scientific community so long as | |
| # proper attribution is given to the journal article from which the | |
| # data were obtained. | |
| # | |
| data_9000046 | |
| loop_ | |
| _publ_author_name | |
| 'Kukesh, J. S.' | |
| 'Pauling, L.' | |
| _publ_section_title | |
| ; | |
| The problem of the graphite structure | |
| ; | |
| _journal_name_full 'American Mineralogist' | |
| _journal_page_first 125 | |
| _journal_page_last 125 | |
| _journal_volume 35 | |
| _journal_year 1950 | |
| _chemical_formula_sum C | |
| _chemical_name_common Graphite | |
| _chemical_name_mineral Graphite | |
| _space_group_IT_number 69 | |
| _symmetry_space_group_name_Hall '-F 2 2' | |
| _symmetry_space_group_name_H-M 'F m m m' | |
| _cell_angle_alpha 90 | |
| _cell_angle_beta 90 | |
| _cell_angle_gamma 90 | |
| _cell_length_a 2.456 | |
| _cell_length_b 4.254 | |
| _cell_length_c 6.696 | |
| _cell_volume 69.959 | |
| _exptl_crystal_density_diffrn 2.281 | |
| _cod_database_code 9000046 | |
| loop_ | |
| _symmetry_equiv_pos_as_xyz | |
| x,y,z | |
| x,1/2+y,1/2+z | |
| 1/2+x,y,1/2+z | |
| 1/2+x,1/2+y,z | |
| x,-y,z | |
| x,1/2-y,1/2+z | |
| 1/2+x,-y,1/2+z | |
| 1/2+x,1/2-y,z | |
| -x,y,-z | |
| -x,1/2+y,1/2-z | |
| 1/2-x,y,1/2-z | |
| 1/2-x,1/2+y,-z | |
| -x,y,z | |
| -x,1/2+y,1/2+z | |
| 1/2-x,y,1/2+z | |
| 1/2-x,1/2+y,z | |
| x,-y,-z | |
| x,1/2-y,1/2-z | |
| 1/2+x,-y,1/2-z | |
| 1/2+x,1/2-y,-z | |
| x,y,-z | |
| x,1/2+y,1/2-z | |
| 1/2+x,y,1/2-z | |
| 1/2+x,1/2+y,-z | |
| -x,-y,z | |
| -x,1/2-y,1/2+z | |
| 1/2-x,-y,1/2+z | |
| 1/2-x,1/2-y,z | |
| -x,-y,-z | |
| -x,1/2-y,1/2-z | |
| 1/2-x,-y,1/2-z | |
| 1/2-x,1/2-y,-z | |
| loop_ | |
| _atom_site_label | |
| _atom_site_fract_x | |
| _atom_site_fract_y | |
| _atom_site_fract_z | |
| C 0.00000 0.16667 0.00000 | |