#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529512.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_1529512
loop_
_publ_author_name
'Abdullaev, G.K.'
'Mamedov, H.S.'
_publ_section_title
;
 The refinement of the crystal structure of copper metaborate Cu B2 O4
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              184
_journal_page_last               187
_journal_volume                  22
_journal_year                    1981
_chemical_formula_sum            'B2 Cu O4'
_chemical_name_systematic        'Cu (B2 O4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.506
_cell_length_b                   11.506
_cell_length_c                   5.644
_cell_volume                     747.198
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Abdullaev_ZSTKAI_1981_1697.cif
_cod_data_source_block           B2Cu1O4
_cod_original_formula_sum        'B2 Cu1 O4'
_cod_database_code               1529512
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
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,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
O1 O-2 0.1583 0.0707 0.494 1 0.0
O4 O-2 0.0738 0.1891 0.7983 1 0.0
O3 O-2 0.25 0.0833 0.875 1 0.0
O2 O-2 0.2523 0.25 0.625 1 0.0
Cu2 Cu+2 0.0815 0.25 0.125 1 0.0
B2 B+3 0.0004 0.25 0.625 1 0.0
Cu1 Cu+2 0 0 0.5 1 0.0
B1 B+3 0.1828 0.1469 0.6964 1 0.0
