#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/41/1534193.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_1534193
loop_
_publ_author_name
'Babel, D.'
'Ruedorff, W.'
'Tschoepp, R.'
_publ_section_title
;
 Erdalkaliiridium(IV) - oxide: Struktur von Dicalciumiridium(IV) - oxid,
 Ca2 Ir O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              282
_journal_page_last               288
_journal_volume                  347
_journal_year                    1966
_chemical_formula_sum            'Ca2 Ir O4'
_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            3
_cell_length_a                   9.423
_cell_length_b                   9.423
_cell_length_c                   3.195
_cell_volume                     245.686
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Babel_ZAACAB_1966_763.cif
_cod_data_source_block           Ca2Ir1O4
_cod_original_cell_volume        245.6857
_cod_original_formula_sum        'Ca2 Ir1 O4'
_cod_database_code               1534193
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
O2 O-2 0.4549 0 0.5 1 0.0
Ir1 Ir+4 0.3258 0 0 1 0.0
Ca1 Ca+2 0 0 0 1 0.0
Ca2 Ca+2 0.3333 0.6666 0.5 1 0.0
O1 O-2 0.1913 0 0.5 1 0.0
O3 O-2 0.4531 0.242 0 1 0.0
Ca3 Ca+2 0.7087 0 0.5 1 0.0
