#------------------------------------------------------------------------------
#$Date: 2015-10-15 00:14:23 +0200 (jue 15 de oct de 2015) $
#$Revision: 169120 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539991.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_1539991
loop_
_publ_author_name
'Zanin, I.E.'
'Aleinikova, K.B.'
'Afanas'ev, M.M.'
'Antipin, M. Yu.'
_publ_section_title
;
 Structure of Zn3 P2
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              889
_journal_page_last               892
_journal_volume                  45
_journal_year                    2004
_chemical_formula_sum            'P2 Zn3'
_chemical_name_systematic        'Zn3 P2'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0785
_cell_length_b                   8.0785
_cell_length_c                   11.3966
_cell_volume                     743.767
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Zanin_ZSTKAI_2004_530.cif
_cod_data_source_block           P2Zn3
_cod_original_cell_volume        743.7667
_cod_database_code               1539991
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
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
Zn1 Zn+2 0.53251 0.75 0.13336 1 0.0
P3 P-3 0.75 0.75 -0.00571 1 0.0
P1 P-3 0.25 0.75 -0.00292 1 0.0
Zn2 Zn+2 0.25 0.50333 0.10381 1 0.0
Zn3 Zn+2 0.46763 0.75 -0.14323 1 0.0
P2 P-3 0.49572 0.50428 0.25 1 0.0
