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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510658.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_1510658
loop_
_publ_author_name
'Yamane, H.'
'Amamoto, Y.'
'Miyazaki, Y.'
'Oku, T.'
'Hirai, T.'
_publ_section_title
;
 Preparation and crystal structure of Nd2 Sr3 Cu3 O6 (B O3)2
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              245
_journal_page_last               253
_journal_paper_doi               10.1016/0921-4534(94)90078-7
_journal_volume                  227
_journal_year                    1994
_chemical_formula_sum            'B2 Cu3 Nd2 O12 Sr3'
_chemical_name_systematic        'Nd2 Sr3 Cu3 O6 (B O3)2'
_space_group_IT_number           126
_symmetry_space_group_name_Hall  'P 4 2 -1n'
_symmetry_space_group_name_H-M   'P 4/n n c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.7671
_cell_length_b                   7.7671
_cell_length_c                   35.82939
_cell_volume                     2161.510
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            boron_141.cif
_cod_data_source_block           B2Cu3Nd2O12Sr3
_cod_original_cell_volume        2161.51
_cod_original_sg_symbol_Hall     '-P 4a 2bc (x-1/4,y-1/4,z-1/4)'
_cod_database_code               1510658
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+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
B1 B+3 0.23 0.27 0.396 1 0.0
O4 O-2 0.25 0.5 0.5 1 0.0
Nd4 Nd+3 0.5 0.5 0.452 0.5 0.0
Nd3 Nd+3 0 0 0.452 0.5 0.0
Sr2 Sr+2 0.5 0.5 0.348 1 0.0
Cu2 Cu+2 0.25 0.25 0.5 1 0.0
Nd1 Nd+3 0 0 0.25 1 0.0
O6 O-2 0.3 0.18 0.426 1 0.0
Sr6 Sr+2 0.5 0 0.451 0.5 0.0
Sr1 Sr+2 0 0 0.348 1 0.0
Cu1 Cu+2 0.246 0.25 0.2979 1 0.0
O3 O-2 0.26 0 0.5 1 0.0
O2 O-2 0.25 0.5 0.294 1 0.0
O7 O-2 0.25 0.44 0.408 1 0.0
Nd5 Nd+3 0.5 0 0.451 0.5 0.0
O5 O-2 0.23 0.19 0.361 1 0.0
Sr5 Sr+2 0.5 0.5 0.452 0.5 0.0
Nd2 Nd+3 0.5 0 0.25 1 0.0
O1 O-2 -0.02 0.25 0.287 1 0.0
Sr3 Sr+2 0.5 0 0.349 1 0.0
Sr4 Sr+2 0 0 0.452 0.5 0.0
