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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/1/53/20/1532084.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_1532084
loop_
_publ_author_name
'Raudsepp, M.'
'Pani, E.'
_publ_section_title
;
 The crystal structure of cobaltarthurite, Co(2+) Fe(3+)2 (As O4)2 (O H)2
 * 4(H2 O): a Rietveld refinement
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              733
_journal_page_last               737
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'As2 Co Fe2 H10 O14'
_chemical_name_systematic        'Co Fe2 (As O4)2 (O H)2 (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                 94.277
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.2694
_cell_length_b                   9.679
_cell_length_c                   5.5723
_cell_volume                     552.330
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Raudsepp_CAMIA6_2002_665.cif
_cod_data_source_block           H10As2Co1Fe2O14
_cod_original_cell_volume        552.3303
_cod_original_formula_sum        'H10 As2 Co1 Fe2 O14'
_cod_database_code               1532084
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
O4 O-2 0.303 0.253 0.323 1 0.0
O2 O-2 0.36 0.491 0.594 1 0.0
As1 As+5 0.2968 0.4293 0.3279 1 0.0
Fe1 Fe+3 0.4554 0.1357 0.3405 1 0.0
O5 O-2 0.54 0.228 0.08 1 0.0
Co1 Co+2 0 0 0 1 0.0
O1 O-2 0.397 0.488 0.118 1 0.0
O7 O-2 0.05 0.19 0.15 1 0.0
O3 O-2 0.148 0.494 0.24 1 0.0
O6 O-2 0.126 0.909 0.296 1 0.0
