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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510655.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_1510655
loop_
_publ_author_name
'Kihn, Y.'
'Kritikos, M.'
'Johnsson, M.'
'Millet, P.'
_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 Cu2.28 Mg0.72 O6'
_chemical_name_systematic        'Cu2 (Cu0.28 Mg0.72) 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                 94.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.2401
_cell_length_b                   14.79
_cell_length_c                   9.147
_cell_volume                     436.745
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            boron_138.cif
_cod_data_source_block           B2Cu2.28Mg0.72O6
_cod_original_cell_volume        436.7452
_cod_database_code               1510655
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
B1 B+3 0.6556 0.4211 0.8382 1 0.0
Cu1 Cu+2 0.19569 0.54403 0.63637 1 0.0
O1 O-2 0.1858 0.6566 0.7368 1 0.0
O3 O-2 0.61 0.5069 0.7963 1 0.0
O6 O-2 0.1655 0.615 0.0375 1 0.0
Cu3 Cu+2 0.6977 0.63694 0.87167 0.28 0.0
B2 B+3 0.3171 0.3476 0.5976 1 0.0
O4 O-2 0.7223 0.7653 0.9678 1 0.0
O2 O-2 0.1846 0.4267 0.5374 1 0.0
O5 O-2 0.4855 0.6517 0.2592 1 0.0
Mg1 Mg+2 0.6977 0.63694 0.87167 0.72 0.0
Cu2 Cu+2 0.16403 0.74064 0.11984 1 0.0
