#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017623.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_9017623
loop_
_publ_author_name
'Kampf, A. R.'
'Sciberras, M. J.'
'Williams, P. A.'
'Dini, M.'
'Molina Donoso, A. A.'
_publ_section_title
;
 Leverettite from the Torrecillas mine, Iquique Provence, Chile:
 the Co-analogue of herbertsmithite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              3047
_journal_page_last               3054
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Torrecillas mine, Iquique Provence, Chile'
_chemical_formula_sum            'Cl2 Co0.42 Cu3.33 H6 Mg0.01 Mn0.17 Ni0.07 O6'
_chemical_name_mineral           Leverettite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.8436
_cell_length_b                   6.8436
_cell_length_c                   14.0637
_cell_formula_units_Z            3
_cell_volume                     570.426
_database_code_amcsd             0019986
_exptl_crystal_density_diffrn    3.694
_cod_data_source_file            inputs/fixed/downloads/18/18530.cif
_cod_data_source_block           18530
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Co.42 Cu3.33 Mn.17 Ni.07 Mg.01 Cl2 O6 H6'
_cod_database_code               9017623
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CoM1 0.00000 0.00000 0.50000 0.42000 0.01080
CuM1 0.00000 0.00000 0.50000 0.33000 0.01080
MnM1 0.00000 0.00000 0.50000 0.17000 0.01080
NiM1 0.00000 0.00000 0.50000 0.07000 0.01080
MgM1 0.00000 0.00000 0.50000 0.01000 0.01080
CuM2 0.50000 0.00000 0.00000 1.00000 0.01310
Cl 0.00000 0.00000 0.19407 1.00000 0.01700
O 0.20640 -0.20640 0.06120 1.00000 0.01630
H 0.13500 -0.13500 0.07400 1.00000 0.06300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019986
