#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510654.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_1510654
loop_
_publ_author_name
'Millet, P.'
'Kihn, Y.'
'Johnsson, M.'
'Kritikos, M.'
_publ_section_title
;
 Synthesis and crystal structure of Cu2 Ni O (B2 O5) and Cu2 Mg O (B2 O5)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1725
_journal_page_last               1734
_journal_paper_doi               10.1016/S0025-5408(03)00186-7
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'B2 Cu2.04 Ni0.96 O6'
_chemical_name_systematic        'Cu2 (Cu0.04 Ni0.96) O (B2 O5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.2003
_cell_length_b                   14.775
_cell_length_c                   9.097
_cell_volume                     429.442
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            boron_137.cif
_cod_data_source_block           B2Cu2.04Ni0.96O6
_cod_original_cell_volume        429.4418
_cod_database_code               1510654
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
Cu2 Cu+2 0.1655 0.74105 0.12066 1 0.0
O5 O-2 0.4934 0.6523 0.2609 1 0.0
B1 B+3 0.652 0.421 0.8384 1 0.0
Ni1 Ni+2 0.6828 0.63656 0.87541 0.96 0.0
O2 O-2 0.1855 0.4263 0.537 1 0.0
B2 B+3 0.318 0.3479 0.5976 1 0.0
O4 O-2 0.7213 0.7659 0.9693 1 0.0
O6 O-2 0.1841 0.6154 0.0361 1 0.0
O1 O-2 0.1679 0.656 0.739 1 0.0
Cu1 Cu+2 0.1885 0.54386 0.63717 1 0.0
O3 O-2 0.6068 0.5061 0.7949 1 0.0
Cu3 Cu+2 0.6828 0.63656 0.87541 0.04 0.0
