#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/01/2020

data_5yOhtAoR
_audit_creation_date            2020-01-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal de Physique Colloque C"
_citation_journal_volume        ?
_citation_page_first            876
_citation_page_last             877
_citation_article_id            ?
_citation_year                  ?
_citation_DOI                   10.1051/jphyscol:19711309

loop_
_citation_author_name
"D. FRUCHART"
"E.F. BERTAUT"
"R. MADAR"
"R. FRUCHART"




_atomic_positions_source_database_code_ICSD  76070
_atomic_positions_source_other               .

_transition_temperature  140
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX5-  6  2  special  primary  2  .
mM5+  6  2  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Lattice parameters from a room temperature experiment
A simpler k=0 magnetic structure is reported above 140K up to 183K (see #0.273).
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal symmetry
Two primary irreps along special directions active, one for each wave vector.
The Mn site splits into two independent sites. The spins of one them (Mn1_1) are arranged according to one of the irreps (mX5-) with propagation vector (0,0,1/2), while the spin arrangement of Mn1_2 corresponds to the other irrep (mM5+) with propagation vector (1/2,1/2,0)
;

_parent_space_group.name_H-M_alt  'P m -3 m'
_parent_space_group.IT_number                       221
_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]
k2 [1/2 1/2 0]

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



_space_group_magn.number_BNS  60.432
_space_group_magn.name_BNS  "P_I b c n"
_cell_length_a             5.51830
_cell_length_b             5.51830
_cell_length_c             7.80400
_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+1/2,-y+1/2,-z+1/2,+1
3 -x,y,-z,+1
4 -x+1/2,-y+1/2,z+1/2,+1
5 -x,-y,-z+1/2,+1
6 -x+1/2,y+1/2,z,+1
7 x,-y,z+1/2,+1
8 x+1/2,y+1/2,-z,+1

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1_1 Mn 0.75000 0.75000 0.25000
Mn1_2 Mn 0.00000 0.00000 0.00000
Zn1 Zn 0.00000 0.50000 0.00000
N1 N 0.00000 0.00000 0.25000

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_1 0.61 0.00000 0.00000 mx,my,0
Mn1_2 0.00000 1.03 0.00000 0,my,0

