#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103809.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_8103809
loop_
_publ_author_name
'Giester, G.'
'Libowitzky, E.'
_publ_section_title
;
 Crystal structures and Raman spectra of Cu (O H) F and Cu3 (O H)2 F4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              351
_journal_page_last               356
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Cu F H O'
_chemical_name_systematic        'Cu (O H) F'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.301
_cell_length_b                   6.376
_cell_length_c                   5.074
_cell_volume                     157.981
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Giester_ZEKRDZ_2003_1121.cif
_cod_data_source_block           H1Cu1F1O1
_cod_original_cell_volume        157.9805
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'H1 Cu1 F1 O1'
_cod_database_code               8103809
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
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
F1 F-1 0.3721 0.38357 0.7381 1 0.0
Cu1 Cu+2 0.25725 0.1225 -0.00888 1 0.0
O1 O-2 0.1611 0.36452 0.1783 1 0.0
H1 H+1 0.198 0.369 0.337 1 0.0
