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#$Date: 2016-03-26 18:22:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180425 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209433.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_7209433
loop_
_publ_author_name
'Bluhm, K.'
'Busche, S.'
_publ_section_title
;
 Zur Synthese und Kristallstruktur von Kupferzinkpyroboratoxid: Cu2 Zn (B2
 O5) O
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              1854
_journal_page_last               1858
_journal_volume                  50
_journal_year                    1995
_chemical_formula_sum            'B2 Cu2.63 O6 Zn0.37'
_chemical_name_systematic        'Cu (Cu1.63 Zn0.37) (B2 O5) O'
_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                 95.794
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.2738
_cell_length_b                   14.794
_cell_length_c                   9.1539
_cell_volume                     441.082
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron_139.cif
_cod_data_source_block           B2Cu2.63O6Zn0.37
_cod_original_cell_volume        441.0822
_cod_database_code               7209433
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
B2 B+3 0.83 0.422 0.162 1 0.0
B1 B+3 0.166 0.346 0.406 1 0.0
O5 O-2 0.123 0.493 0.792 1 0.0
O6 O-2 0.981 0.348 0.26 1 0.0
O3 O-2 0.315 0.426 0.465 1 0.0
Cu3 Cu+2 0.2154 0.3624 0.8685 0.89 0.0
Zn1 Zn+2 0.3334 0.74 0.8788 0.26 0.0
Cu2 Cu+2 0.3334 0.74 0.8788 0.74 0.0
O4 O-2 0.63 0.385 0.042 1 0.0
Zn2 Zn+2 0.2154 0.3624 0.8685 0.11 0.0
O2 O-2 0.295 0.843 0.763 1 0.0
O1 O-2 0.224 0.266 0.47 1 0.0
Cu1 Cu+2 0.2954 0.5436 0.3642 1 0.0
