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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014412.cif $
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#
# 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_9014412
loop_
_publ_author_name
'Paar, W. H.'
'Cooper, M. A.'
'Moelo, Y.'
'Stanley, C. J.'
'Putz, H.'
'Topa, D.'
'Roberts, A. C.'
'Stirling, J.'
'Raith, J. G.'
'Rowe, R.'
_publ_section_title
;
 Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine,
 Potosi, Bolivia, and its crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              281
_journal_page_last               294
_journal_paper_doi               10.3749/canmin.50.2.281
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'El Dragon mine, Potosi, Bolivia'
_chemical_formula_sum            'Bi Cu6 Se6'
_chemical_name_mineral           Eldragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0341
_cell_length_b                   27.056
_cell_length_c                   9.5559
_cell_formula_units_Z            4
_cell_volume                     1042.994
_database_code_amcsd             0019204
_exptl_crystal_density_diffrn    6.776
_cod_original_formula_sum        'Cu6 Bi Se6'
_cod_database_code               9014412
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.25000 0.02265 0.07475 0.01960
Cu2 0.25000 0.11574 0.02738 0.02130
Cu3 0.25000 0.78781 0.19084 0.02800
Cu4 0.25000 0.55445 0.78117 0.02180
Cu5 0.25000 0.50190 0.07705 0.03460
Cu6 0.25000 0.26005 0.14636 0.01910
Bi 0.25000 0.61432 0.10659 0.01553
Se1 0.25000 0.39728 0.13545 0.01269
Se2 0.25000 0.56504 0.52343 0.01333
Se3 0.25000 0.17350 0.21325 0.01256
Se4 0.25000 0.03593 0.33309 0.01354
Se5 0.25000 0.33404 0.31352 0.01238
Se6 0.25000 0.76739 0.49037 0.01386
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019204
