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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/18/1531847.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_1531847
loop_
_publ_author_name
'Loehken, A.'
'Mewis, A.'
'Johrendt, D.'
'Lux, C.'
_publ_section_title
;
 Kristall- und elektronische Strukturen von A Ir2 P2 (A: Ca - Ba)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1472
_journal_page_last               1476
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ca Ir2 P2'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.61
_cell_length_b                   6.61
_cell_length_c                   7.031
_cell_volume                     266.042
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Loehken_ZAACAB_2002_958.cif
_cod_data_source_block           Ca1Ir2P2
_cod_original_cell_volume        266.0423
_cod_original_formula_sum        'Ca1 Ir2 P2'
_cod_database_code               1531847
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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
Ir2 Ir 0.135 0 0.1667 1 0.0
Ir1 Ir 0.5198 0 0.6667 1 0.0
P1 P 0.2279 0.8875 0.4581 1 0.0
Ca1 Ca 0.6034 0 0.1667 1 0.0
