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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/2/10/60/2106058.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_2106058
loop_
_publ_author_name
'Rea, J.R.'
'Anderson, J.B.'
'Kostiner, E.'
_publ_section_title
;
 The crystal structures of copper chloroarsenate and cobalt
 chloroarsenate, Cu2 (As O4) Cl and Co2 (As O4) Cl
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              975
_journal_page_last               979
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'As Cl Cu2 O4'
_chemical_name_systematic        'Cu2 (As O4) Cl'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.877
_cell_length_b                   6.589
_cell_length_c                   4.929
_cell_volume                     223.303
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rea_ACBCAR_1977_1137.cif
_cod_data_source_block           As1Cl1Cu2O4
_cod_original_cell_volume        223.3029
_cod_original_formula_sum        'As1 Cl1 Cu2 O4'
_cod_database_code               2106058
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Cl1 Cl-1 0.2426 0.25 0.8376 1 0.0
O3 O-2 0.199 0.5454 0.3062 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0.4496 0.75 0.6697 1 0.0
O2 O-2 0.0636 0.75 0.7582 1 0.0
Cu2 Cu+2 0.2735 0.25 0.3538 1 0.0
As1 As+5 0.2471 0.75 0.5085 1 0.0
