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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104001.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_8104001
loop_
_publ_author_name
'Huber, M.'
'Deiseroth, H.J.'
_publ_section_title
;
 Crystal structure of zirconium diphosphide, ZrP2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              370
_journal_page_last               370
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'P2 Zr'
_chemical_name_systematic        'Zr P2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.505
_cell_length_b                   3.5169
_cell_length_c                   8.757
_cell_volume                     200.338
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Huber_ZEKRDZ_1994_1613.cif
_cod_data_source_block           P2Zr1
_cod_original_cell_volume        200.3377
_cod_original_formula_sum        'P2 Zr1'
_cod_database_code               8104001
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Zr1 Zr+4 0.28038 0.25 0.16277 1 0.0
P2 P-2 0.9049 0.25 0.6446 1 0.0
P1 P-2 0.8908 0.25 0.0396 1 0.0
