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crystals/elements/Zn-Zinc.cif

 

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# Part of the Crystallography Open Database

 

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# All data on this site have been placed in the public domain by the

 

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# contributors.

 

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#------------------------------------------------------------------------------

 

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#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $

 

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#$Revision: 1210 $

 

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#$URL: svn://cod.ibt.lt/cod/cif/9/9008522.cif $

 

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#------------------------------------------------------------------------------

 

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#

 

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# This file is available in the Crystallography Open Database (COD),

 

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# http://www.crystallography.net/. The original data for this entry

 

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# were provided the American Mineralogist Crystal Structure Database,

 

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# http://rruff.geo.arizona.edu/AMS/amcsd.php

 

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#

 

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# The file may be used within the scientific community so long as

 

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# proper attribution is given to the journal article from which the

 

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# data were obtained.

 

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#

 

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data_9008522

 

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loop_

 

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_publ_author_name

 

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'Wyckoff, R. W. G.'

 

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_publ_section_title

 

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;

 

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 Second edition. Interscience Publishers, New York, New York

 

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 Hexagonal closest packed, hcp, structure

 

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;

 

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_journal_name_full               'Crystal Structures'

 

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_journal_page_first              7

 

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_journal_page_last               83

 

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_journal_volume                  1

 

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_journal_year                    1963

 

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_chemical_formula_sum            Zn

 

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_chemical_name_mineral           Zinc

 

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_space_group_IT_number           194

 

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_symmetry_space_group_name_Hall  '-P 6c 2c'

 

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_symmetry_space_group_name_H-M   'P 63/m m c'

 

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_cell_angle_alpha                90

 

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_cell_angle_beta                 90

 

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_cell_angle_gamma                120

 

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_cell_length_a                   2.6648

 

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_cell_length_b                   2.6648

 

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_cell_length_c                   4.9467

 

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_cell_volume                     30.421

 

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_exptl_crystal_density_diffrn    7.139

 

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_cod_database_code               9008522

 

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_amcsd_database_code             AMCSD#0010853

 

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loop_

 

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_symmetry_equiv_pos_as_xyz

 

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x,y,z

 

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-x,-x+y,1/2+z

 

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x,x-y,1/2-z

 

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-x+y,-x,1/2-z

 

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x-y,x,1/2+z

 

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-y,-x,z

 

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y,x,-z

 

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y,-x+y,-z

 

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-y,x-y,z

 

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x-y,-y,1/2+z

 

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-x+y,y,1/2-z

 

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x,y,1/2-z

 

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-x,-y,1/2+z

 

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x,x-y,z

 

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-x,-x+y,-z

 

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x-y,x,-z

 

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-x+y,-x,z

 

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y,x,1/2+z

 

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-y,-x,1/2-z

 

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-y,x-y,1/2-z

 

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y,-x+y,1/2+z

 

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-x+y,y,z

 

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x-y,-y,-z

 

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-x,-y,-z

 

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loop_

 

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_atom_site_label

 

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_atom_site_fract_x

 

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_atom_site_fract_y

 

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_atom_site_fract_z

 

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Zn 0.33333 0.66667 0.25000

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