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crystals/elements/P-Phosphorus-black.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/9/9008572.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_9008572

 

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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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 Sample known as black phosphorus

 

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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            P

 

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_chemical_name_mineral           Phosphorus

 

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_space_group_IT_number           64

 

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_symmetry_space_group_name_Hall  '-B 2ab 2'

 

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_symmetry_space_group_name_H-M   'B m a b'

 

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_cell_angle_alpha                90

 

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_cell_angle_beta                 90

 

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_cell_angle_gamma                90

 

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_cell_length_a                   3.31

 

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_cell_length_b                   4.38

 

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_cell_length_c                   10.50

 

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_cell_volume                     152.227

 

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_exptl_crystal_density_diffrn    2.703

 

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_cod_database_code               9008572

 

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_amcsd_database_code             AMCSD#0010903

 

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

 

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

 

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

 

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

 

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

 

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-x,y,z

 

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

 

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x,-y,-z

 

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

 

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

 

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

 

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

 

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

 

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-x,-y,-z

 

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1/2-x,-y,1/2-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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P 0.00000 0.09000 0.09800

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