#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534017.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_1534017
loop_
_publ_author_name
'Peterson, R.C.'
'Roeder, P.L.'
'Zhang Yousheng'
_publ_section_title
;
 The atomic structure of siderotil, (Fe, Cu) S O4 * 5(H2 O)
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              671
_journal_page_last               676
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Cu0.27 Fe0.73 H10 O9 S'
_chemical_name_systematic        '(Cu0.27 Fe0.73) (S O4) (H2 O)5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.63
_cell_angle_beta                 110.02
_cell_angle_gamma                105.19
_cell_formula_units_Z            2
_cell_length_a                   6.292
_cell_length_b                   10.632
_cell_length_c                   6.072
_cell_volume                     367.983
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Peterson_CAMIA6_2003_52.cif
_cod_data_source_block           H10Cu0.27Fe0.73O9S1
_cod_original_cell_volume        367.9832
_cod_original_formula_sum        'H10 Cu0.27 Fe0.73 O9 S1'
_cod_database_code               1534017
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O2 O-2 0.2628 0.3269 0.829 1 0.0
O4 O-2 0.0581 0.2988 0.4177 1 0.0
O8 O-2 0.7603 0.4061 0.0277 1 0.0
O7 O-2 0.4765 0.404 0.3171 1 0.0
Cu1 Cu+2 0 0 0 0.54 0.0
O1 O-2 0.9256 0.1519 0.705 1 0.0
O6 O-2 0.3097 0.1173 0.1807 1 0.0
Fe2 Fe+2 0.5 0.5 0 1 0.0
O3 O-2 0.8838 0.3748 0.6554 1 0.0
O9 O-2 0.4476 0.1302 0.6631 1 0.0
Fe1 Fe+2 0 0 0 0.46 0.0
O5 O-2 0.8283 0.075 0.1585 1 0.0
S1 S+6 0.0301 0.2886 0.6519 1 0.0
