#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/22/29/7222960.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_7222960
loop_
_publ_author_name
'Currie, D.B.'
'Weller, M.T.'
_publ_section_title
;
 Structure of La0.8 Sr0.2 Cu O2.64 Powder neutron diffraction on very
 small sample volumes
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              295
_journal_page_last               296
_journal_volume                  1
_journal_year                    1991
_chemical_formula_sum            'Cu La0.8 O2.64 Sr0.2'
_chemical_name_systematic        '(La0.8 Sr0.2) Cu O2.64'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.495
_cell_length_b                   5.495
_cell_length_c                   13.234
_cell_volume                     346.065
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Currie_JMACEP_1991_1503.cif
_cod_data_source_block           Cu1La0.8O2.64Sr0.2
_cod_original_cell_volume        346.0646
_cod_original_formula_sum        'Cu1 La0.8 O2.64 Sr0.2'
_cod_database_code               7222960
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Cu1 Cu+2 0 0 0 1 0.0
La1 La+3 0 0 0.25 0.8 0.0
O1 O-2 0.4569 0 0.25 0.88 0.0
Sr1 Sr+2 0 0 0.25 0.2 0.0
