#------------------------------------------------------------------------------
#$Date: 2015-07-11 18:10:56 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145561 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/02/2310299.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310299
loop_
_publ_author_name
'Komura, Y.'
'Sly, W.G.'
'Shoemaker, D.P.'
_publ_section_title
;
 The crystal structure of the R-phase, Mo-Co-Cr
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              575
_journal_page_last               585
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'Co0.442 Cr0.176 Mo0.382'
_chemical_name_systematic        '(Co0.442 Cr0.176 Mo0.382)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            159
_cell_length_a                   10.903
_cell_length_b                   10.903
_cell_length_c                   19.342
_cell_volume                     1991.242
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Komura_ACCRA9_1960_915.cif
_cod_data_source_block           Co0.442Cr0.176Mo0.382
_cod_database_code               2310299
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Cr8 Cr 0.1132 0.2687 0.4652 0.135 0.0
Mo8 Mo 0.1132 0.2687 0.4652 0.53 0.0
Cr5 Cr 0.0212 0.1393 0.1962 0.255 0.0
Cr10 Cr 0.1596 0.247 0.002 0.285 0.0
Cr9 Cr 0.033 0.2579 0.3183 0.07 0.0
Co5 Co 0.0212 0.1393 0.1962 0.635 0.0
Co8 Co 0.1132 0.2687 0.4652 0.335 0.0
Mo1 Mo 0 0 0.5 0.11 0.0
Cr4 Cr 0.0509 0.279 0.1 0.285 0.0
Co6 Co 0.225 0.1969 0.2685 0.715 0.0
Mo9 Mo 0.033 0.2579 0.3183 0.76 0.0
Cr1 Cr 0 0 0.5 0.255 0.0
Co10 Co 0.1596 0.247 0.002 0.715 0.0
Mo5 Mo 0.0212 0.1393 0.1962 0.11 0.0
Co7 Co 0.1759 0.1265 0.3696 0.27 0.0
Mo11 Mo 0.2671 0.2218 0.1222 1 0.0
Cr7 Cr 0.1759 0.1265 0.3696 0.11 0.0
Cr2 Cr 0 0 0.3044 0.285 0.0
Co1 Co 0 0 0.5 0.635 0.0
Mo3 Mo 0 0 0.0735 1 0.0
Co2 Co 0 0 0.3044 0.715 0.0
Co9 Co 0.033 0.2579 0.3183 0.17 0.0
Co4 Co 0.0509 0.279 0.1 0.715 0.0
Cr6 Cr 0.225 0.1969 0.2685 0.285 0.0
Mo7 Mo 0.1759 0.1265 0.3696 0.62 0.0
