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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001735.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9001735
loop_
_publ_author_name
'Krause, W.'
'Bernhardt, H. J.'
'Gebert, W.'
'Graetsch, H.'
'Belendorff, K.'
'Petitjean, K.'
_publ_section_title
;
 Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its
 description and crystal structure
 Sample: 8.0.376, split Bi atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              505
_journal_page_last               512
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'As2 Bi2 Cu0.88 Fe1.12 O12'
_chemical_name_mineral           Medenbachite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.29
_cell_angle_beta                 99.93
_cell_angle_gamma                94.85
_cell_length_a                   4.581
_cell_length_b                   6.178
_cell_length_c                   8.969
_cell_formula_units_Z            1
_cell_volume                     248.102
_database_code_amcsd             0001791
_exptl_crystal_density_diffrn    5.878
_cod_original_formula_sum        'Bi2 Fe1.12 Cu.88 As2 O12'
_cod_database_code               9001735
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi1 0.15890 0.29960 0.39530 0.50000
Bi2 0.25410 0.32230 0.38830 0.50000
Fe1 0.00000 0.00000 0.00000 1.00000
Cu2 0.00000 0.50000 0.00000 0.88000
Fe2 0.00000 0.50000 0.00000 0.12000
As 0.54110 0.79980 0.21780 1.00000
O1 0.31400 0.56500 0.19800 1.00000
O2 0.14500 0.74200 0.89900 1.00000
O3 0.33800 0.01200 0.18200 1.00000
O4 0.24500 0.22400 0.91600 1.00000
O5 0.27700 0.61700 0.54100 1.00000
O6 0.24600 0.13900 0.61100 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001791
