#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:14:58
# Database entry: 1.132 Mn2As
# Cif-like file for the case 1.132


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Mn2 As'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Applied Physics"
_citation_journal_volume        33
_citation_page_first            1356
_citation_page_last             1357
_citation_article_id            .
_citation_year                  1962
_citation_DOI                   10.1063/1.1728729

loop_
_citation_author_name
"A.E. Austin"
"E. Adelson"
"W.H. Cloud"




_atomic_positions_source_database_code_ICSD   164396
_atomic_positions_source_other               .

_transition_temperature     573
_experiment_temperature     290

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5+ 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
orientation of the moments on the ab plane is undetermined. Here, it has been assumed in the b direction (or equivalently along a), in order to realize a maximal symmetry, as observed in other similar compounds as Cr2As (see entry #1.130).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep active. MSG corresponds to an irrep epikernel.
The easy axis oblique along the (1,1,0) or (1,-1,0) realizes also maximal symmetry. It corresponds to the alternative epikernel for the same active irrep.
Same MSG as Fe2As, but opposite coupling of the two independent Fe sites (see entry #1.131).
;

_parent_space_group.name_H-M_alt  'P  4/n  m  m'
_parent_space_group.IT_number                       129
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,b,a;1/4,3/4,0'


_space_group_magn.number_BNS  62.450
_space_group_magn.name_BNS  "P_a  n  m  a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 3.78000
_cell_length_b                 3.78000
_cell_length_c                 12.56000
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-y,z+1/2,+1
3 -x+1/2,y+1/2,-z,+1
4 x+1/2,-y+1/2,-z+1/2,+1
5 -x+1/2,-y+1/2,-z,+1
6 x+1/2,y+1/2,-z+1/2,+1
7 x,-y,z,+1
8 -x,y,z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn 0.00000 0.00000 0.00000 1
Mn2 Mn 0.50000 0.00000 0.33500 1
As1 As 0.50000 0.00000 0.13250 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.0 3.7 0.0 0,my,0
Mn2 0.0 3.5 0.0 0,my,0

