#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007427.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_9007427
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_[local]_cod_cif_authors_sg_H-M  'P 4/n'
loop_
_publ_author_name
'Collin R L'
_publ_section_title
;
 The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              204
_journal_page_last               209
_journal_volume                  4
_journal_year                    1951
_chemical_formula_sum            'B Cl Cu H4 O4'
_[local]_cod_chemical_formula_sum_orig 'Cu B (O4 Cl) H4'
_chemical_name_mineral           Bandylite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.19
_cell_length_b                   6.19
_cell_length_c                   5.61
_cell_volume                     214.953
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
1/2-y,1/2+x,z
1/2+x,1/2+y,-z
-x,-y,z
-y,x,-z
1/2+y,1/2-x,z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.00000 0.50000 0.63900 0.00386
B 0.00000 0.00000 0.50000 0.00386
O-H 0.31600 0.55400 0.63900 0.00386
Cl 0.00000 0.50000 0.13900 0.00386