#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008981.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_1008981
loop_
_publ_author_name
'Kallel, A'
'Boller, H'
'Bertaut, E F'
_publ_section_title
;
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1139
_journal_page_last               1152
_journal_paper_doi               10.1016/S0022-3697(74)80132-0
_journal_volume                  35
_journal_year                    1974
_chemical_formula_structural     'Cr (As0.5 Sb0.5)'
_chemical_formula_sum            'As0.5 Cr Sb0.5'
_chemical_name_systematic
;
Chromium arsenide antimonide (1/0.5/0.5) - LT
;
_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                   5.789
_cell_length_b                   3.76
_cell_length_c                   6.474
_cell_volume                     140.9
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'As.5 Cr Sb.5'
_cod_database_code               1008981
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
Cr1 Cr3+ 4 c 0.001(8) 0.25 0.225(8) 1. 0 d
As1 As3- 4 c 0.218(2) 0.25 0.598(4) 0.5 0 d
Sb1 Sb3- 4 c 0.218(2) 0.25 0.598(4) 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr3+ 3.000
As3- -3.000
Sb3- -3.000
