#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/60/1526049.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_1526049
loop_
_publ_author_name
'Friedt, O.'
'Nakatsuji, S.'
'Braden, M.'
'Adelmann, P.'
'Andre, G.'
'Maeno, Y.'
_publ_section_title
;
 Structural and magnetic aspects of the metal-insulator transition in
 Ca2-x Srx Ru O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              1744321
_journal_page_last               17443210
_journal_volume                  63
_journal_year                    2001
_chemical_formula_sum            'Ca1.5 O4 Ru Sr0.5'
_chemical_name_systematic        '(Ca1.5 Sr0.5) (Ru O4)'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.3195
_cell_length_b                   5.3195
_cell_length_c                   25.1734
_cell_volume                     712.334
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Friedt_PRBMDO_2001_1892.cif
_cod_data_source_block           Ca1.5O4Ru1Sr0.5
_cod_original_cell_volume        712.3337
_cod_original_formula_sum        'Ca1.5 O4 Ru1 Sr0.5'
_cod_database_code               1526049
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z+1/2
y+1/4,x+3/4,-z+3/4
-x+1/2,y,-z
-y+1/4,-x+1/4,-z+1/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z-1/2
-y-1/4,-x-3/4,z-3/4
x-1/2,-y,z
y-1/4,x-1/4,z-1/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1
y+3/4,x+5/4,-z+5/4
-x+1,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z
-y+1/4,-x-1/4,z-1/4
x,-y+1/2,z+1/2
y+1/4,x+1/4,z+1/4
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 0.25 0.4568 1 0.0
Ca1 Ca+2 0 0.25 0.5492 0.75 0.0
Ru1 Ru+4 0 0.25 0.375 1 0.0
Sr1 Sr+2 0 0.25 0.5492 0.25 0.0
O1 O-2 0.1933 0.4433 0.125 1 0.0
