#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009449.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_9009449
loop_
_publ_author_name
'Deliens, M.'
'Goethals, H.'
_publ_section_title
;
 Polytypism of heterogenite
 Note: polytype known as Heterogenite-2H
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              152
_journal_page_last               157
_journal_paper_doi               10.1180/minmag.1973.039.302.03
_journal_volume                  39
_journal_year                    1973
_chemical_compound_source        'Mindigi, Shaba, Zaire'
_chemical_formula_sum            'Co H O2'
_chemical_name_mineral           Heterogenite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.855
_cell_length_b                   2.855
_cell_length_c                   8.805
_cell_formula_units_Z            2
_cell_volume                     62.154
_database_code_amcsd             0014459
_exptl_crystal_density_diffrn    4.913
_cod_original_formula_sum        'Co O2 H'
_cod_database_code               9009449
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-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
Co 0.00000 0.00000 0.00000 0.01773
O 0.33333 0.66667 0.10770 0.01773
H 0.33333 0.66667 0.25000 0.01773
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014459
