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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/2/10/60/2106059.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_2106059
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 Co2 O4'
_chemical_name_systematic        'Co2 (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                   6.88
_cell_length_b                   6.593
_cell_length_c                   4.932
_cell_volume                     223.672
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rea_ACBCAR_1977_1210.cif
_cod_data_source_block           As1Cl1Co2O4
_cod_original_formula_sum        'As1 Cl1 Co2 O4'
_cod_database_code               2106059
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 0.2414 0.25 0.8378 1 0.0
O1 O-2 0.4494 0.75 0.6683 1 0.0
As1 As+5 0.2373 0.75 0.5088 1 0.0
O2 O-2 0.0641 0.75 0.7567 1 0.0
O3 O-2 0.1987 0.5448 0.3086 1 0.0
Co1 Co+2 0 0 0 1 0.0
Co2 Co+2 0.2736 0.25 0.3535 1 0.0
