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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/08/2310856.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310856
loop_
_publ_author_name
'Fischer, J.'
'Keib, G.'
'Weiss, R.'
_publ_section_title
;
 Structure Cristalline du Fluorotitanate de Cuivre Tetrahydrate, Cu Ti F6
 (H2 O)4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              338
_journal_page_last               340
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Cu F6 H8 O4 Ti'
_chemical_name_systematic        'Cu Ti F6 (H2 O)4'
_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                 104.25
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.509
_cell_length_b                   9.82
_cell_length_c                   7.413
_cell_volume                     388.692
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Fischer_ACCRA9_1967_629.cif
_cod_data_source_block           H8Cu1F6O4Ti1
_cod_original_cell_volume        388.6919
_cod_original_formula_sum        'H8 Cu1 F6 O4 Ti1'
_cod_database_code               2310856
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
O1 O-2 0.232 0.375 0.423 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0.134 0.656 0.387 1 0.0
F2 F-1 0.264 0.382 0.061 1 0.0
Ti1 Ti+4 0.5 0 0.5 1 0.0
F3 F-1 0.382 0.643 0.119 1 0.0
F1 F-1 0.275 0.945 0.282 1 0.0
