#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/03/2310312.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_2310312
loop_
_publ_author_name
'Shoemaker, C.B.'
'Shoemaker, D.P.'
_publ_section_title
;
 A variation on the sigma-phase structure: the structure of the P phase,
 Mo - Ni - Cr
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              734
_journal_page_last               735
_journal_volume                  8
_journal_year                    1955
_chemical_formula_sum            'Cr9.61 Mo25.12 Ni21.27'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.07
_cell_length_b                   17.01
_cell_length_c                   4.74
_cell_volume                     731.291
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Shoemaker_ACCRA9_1955_1314.cif
_cod_data_source_block           Cr9.61Mo25.12Ni21.27
_cod_original_cell_volume        731.2905
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               2310312
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
Cr3 Cr 0.34 0.158 0.25 0.184 0.0
Cr11 Cr 0.25 0.535 0 0.31 0.0
Ni4 Ni 0.59 0.19 0.25 0.406 0.0
Mo1 Mo 0.063 0.118 0.25 0.41 0.0
Ni3 Ni 0.34 0.158 0.25 0.406 0.0
Mo10 Mo 0.513 0.027 0.25 1 0.0
Ni2 Ni 0.15 0.248 0.25 0.406 0.0
Mo4 Mo 0.59 0.19 0.25 0.41 0.0
Cr4 Cr 0.59 0.19 0.25 0.184 0.0
Cr1 Cr 0.063 0.118 0.25 0.184 0.0
Mo12 Mo 0.38 0.288 0 0.41 0.0
Mo7 Mo 0.19 0.412 0.25 1 0.0
Mo9 Mo 0.943 0.368 0.25 0.41 0.0
Mo6 Mo 0.443 0.447 0.25 1 0.0
Cr8 Cr 0.807 0.082 0.25 0.31 0.0
Mo3 Mo 0.34 0.158 0.25 0.41 0.0
Cr12 Cr 0.38 0.288 0 0.184 0.0
Ni9 Ni 0.943 0.368 0.25 0.406 0.0
Ni11 Ni 0.25 0.535 0 0.69 0.0
Mo2 Mo 0.15 0.248 0.25 0.41 0.0
Cr2 Cr 0.15 0.248 0.25 0.184 0.0
Ni1 Ni 0.063 0.118 0.25 0.406 0.0
Ni5 Ni 0.673 0.337 0.25 0.406 0.0
Cr9 Cr 0.943 0.368 0.25 0.184 0.0
Cr5 Cr 0.673 0.337 0.25 0.184 0.0
Mo5 Mo 0.673 0.337 0.25 0.41 0.0
Ni8 Ni 0.807 0.082 0.25 0.69 0.0
Ni12 Ni 0.38 0.288 0 0.406 0.0
