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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310583.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_2310583
loop_
_publ_author_name
'Gattow, G.'
_publ_section_title
;
 Die Kristallstruktur von Cu Se O3 (H2 O)2 (Chalkomenit)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              377
_journal_page_last               383
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Cu H4 O5 Se'
_chemical_name_systematic        'Cu (Se O3) (H2 O)2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.671
_cell_length_b                   9.193
_cell_length_c                   7.384
_cell_volume                     452.835
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gattow_ACCRA9_1958_264.cif
_cod_data_source_block           H4Cu1O5Se1
_cod_original_cell_volume        452.8349
_cod_original_formula_sum        'H4 Cu1 O5 Se1'
_cod_database_code               2310583
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
O4 O-2 0.06 0.287 0.034 1 0.0
Se1 Se+4 0.731 0.392 0.46 1 0.0
O3 O-2 0.27 0.064 0.13 1 0.0
O2 O-2 0.987 0.392 0.527 1 0.0
Cu1 Cu+2 0.516 0.153 0.214 1 0.0
O5 O-2 0.286 0.452 0.295 1 0.0
O1 O-2 0.251 0.222 0.732 1 0.0
