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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008987.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008987
loop_
_publ_author_name
'Roy-Montreuil, J'
'Deyris, B'
'Michel, A'
'Fruchart, R'
'Senateur, J P'
'Boursier, D'
_publ_section_title
;
Influence de l'electronegativite sur l'apparition de l'ordre dans les
phases MM' P et MM' AS
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              411
_journal_page_last               417
_journal_volume                  4
_journal_year                    1979
_chemical_formula_structural     'Mn Ru As'
_chemical_formula_sum            'As Mn Ru'
_chemical_name_systematic        'Manganese ruthenium arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.5155(10)
_cell_length_b                   6.5155
_cell_length_c                   3.614(1)
_cell_volume                     132.9
_refine_ls_R_factor_all          0.053
_cod_database_code               1008987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
y,x,z
x-y,-y,z
-x,y-x,z
y,x,-z
x-y,-y,-z
-x,y-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mn1 Mn0 3 g 0.594 0. 0.5 1. 0 d
Ru1 Ru0 3 f 0.257 0. 0. 1. 0 d
As1 As0 1 b 0. 0. 0.5 1. 0 d
As2 As0 2 c 0.3333 0.6667 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0 0.000
Ru0 0.000
As0 0.000
