#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209458.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_7209458
loop_
_publ_author_name
'Li, R.-K.'
_publ_section_title
;
 Preparation and structure of Nd2 Sr1.5 Ce0.5 Cu2 O6 B O3: a 1222 phase
 containing a borate group as a connecting element
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1973
_journal_page_last               1974
_journal_paper_doi               10.1039/jm9950501973
_journal_volume                  5
_journal_year                    1995
_chemical_formula_sum            'B Ce0.5 Cu2 Nd2 O9 Sr1.5'
_chemical_name_systematic        '(Nd1.5 Ce0.5) (Sr1.5 Nd0.5) Cu2 O6 (B O3)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8974
_cell_length_b                   3.8974
_cell_length_c                   26.64929
_cell_volume                     404.795
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            boron0-1_103.cif
_cod_data_source_block           B1Ce0.5Cu2Nd2O9Sr1.5
_cod_original_cell_volume        404.7954
_cod_original_formula_sum        'B1 Ce0.5 Cu2 Nd2 O9 Sr1.5'
_cod_database_code               7209458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
Nd2 Nd+3 0 0 0.4305 0.25 0.0
O1 O-2 0.349 0 0 0.25 0.0
Ce1 Ce+4 0 0 0.2978 0.25 0.0
Nd1 Nd+3 0 0 0.2978 0.75 0.0
B1 B+3 0 0 0 1 0.0
O3 O-2 0.5 0 0.1391 1 0.0
O2 O-2 0.17 0 0.0511 0.25 0.0
Sr1 Sr+2 0 0 0.4305 0.75 0.0
O4 O-2 0.5 0 0.25 1 0.0
Cu1 Cu+2 0 0 0.1347 1 0.0
