#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536712.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_1536712
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            'Ca2 Ir12 P7'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.512
_cell_length_b                   9.512
_cell_length_c                   3.923
_cell_volume                     307.392
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wurth_ZAACAB_2002_394.cif
_cod_data_source_block           Ca2Ir12P7
_cod_original_cell_volume        307.3921
_cod_database_code               1536712
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Ca1 Ca 0.6667 0.3333 0.75 1 0.0
Ir2 Ir 0.1562 0.26018 0.25 1 0.0
P2 P 0 0 0 0.5 0.0
P1 P 0.4121 0.287 0.25 1 0.0
Ir1 Ir 0.44756 0.06441 0.25 1 0.0
