#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539990.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539990
loop_
_publ_author_name
'Zanin, I.E.'
'Aleinikova, K.B.'
'Antipin, M.Yu.'
_publ_section_title
;
 Analysis of chemical bonding in the alpha and beta modifications of zinc
 diphosphide from X-ray diffraction data
;
_journal_name_full               Kristallografiya
_journal_page_first              232
_journal_page_last               237
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'P2 Zn'
_chemical_name_systematic        'Zn P2'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.0661
_cell_length_b                   5.0661
_cell_length_c                   18.532
_cell_volume                     475.631
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Zanin_KRISAJ_2003_427.cif
_cod_data_source_block           P2Zn1
_cod_original_cell_volume        475.6306
_cod_original_formula_sum        'P2 Zn1'
_cod_database_code               1539990
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P2 P-1 -0.0181 0.00941 0.12401 1 0.0
Zn1 Zn+2 0.13554 -0.34668 0.05028 1 0.0
P1 P-1 -0.19956 0.31763 0.05983 1 0.0
