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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/89/1008991.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_1008991
loop_
_publ_author_name
'Roy-Montreuil, J'
'Chadouet, P'
'Rouault, A'
'Boursier, D'
'Senateur, J P'
'Fruchart, R'
_publ_section_title
;
Analyse de l'ordre dans les arseniures MM'As
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              589
_journal_page_last               586
_journal_volume                  9
_journal_year                    1984
_chemical_formula_structural     'Rh Ti As'
_chemical_formula_sum            'As Rh Ti'
_chemical_name_systematic        'Rhodium titanium arsenide (1/1/1)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.334(1)
_cell_length_b                   3.816(1)
_cell_length_c                   7.388(1)
_cell_volume                     178.6
_cod_database_code               1008991
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,y,1/2-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
Rh1 Rh0 4 c 0.855 0.25 0.064 1. 0 d
Ti1 Ti0 4 c 0.972 0.25 0.684 1. 0 d
As1 As0 4 c 0.243 0.25 0.122 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Rh0 0.000
Ti0 0.000
As0 0.000