#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536718.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_1536718
loop_
_publ_author_name
'Wurth, A.'
'Loehken, A.'
'Mewis, A.'
_publ_section_title
;
 Synthese und Kristallstrukturen ternaerer Phosphide und Arsenide des
 Rhodiums und Iridiums
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              661
_journal_page_last               666
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ca5 Ir19 P12'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.577
_cell_length_b                   12.577
_cell_length_c                   3.954
_cell_volume                     541.653
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wurth_ZAACAB_2002_396.cif
_cod_data_source_block           Ca5Ir19P12
_cod_original_cell_volume        541.6533
_cod_database_code               1536718
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-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
Ca1 Ca 0.3333 0.6667 0 1 0.0
P1 P 0.82 0 0 1 0.0
Ca2 Ca 0.1833 0 0.5 1 0.0
Ir5 Ir 0.49078 0.13015 0.5 1 0.0
Ir3 Ir 0.71146 0 0.5 1 0.0
Ir1 Ir 0 0 0 1 0.0
P3 P 0.3119 0.4857 0.5 1 0.0
Ir2 Ir 0.5401 0 0 1 0.0
P2 P 0.3578 0 0 1 0.0
Ir4 Ir 0.19713 0.37764 0 1 0.0
