#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/11/2021

data_5yOhtAoR
_audit_creation_date            2021-01-11
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        294
_citation_page_first            .
_citation_page_last             .
_citation_article_id            121901
_citation_year                  2021
_citation_DOI                   10.1016/j.jssc.2020.121901

loop_
_citation_author_name
"M.H. Karigerasi"
"B.H. Lam"
"M. Avdeev"
"D.P. Shoemaker"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     270
_experiment_temperature     250

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1  1  .  primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Ferrimagnetic along b
Another magnetic phase below 225K is reported where the spins are canted and non-collinear due to an additional magnetic ordering with propagation vector (0 0 1/2).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  12.58
_space_group_magn.name_BNS  "C 2/m"
_space_group_magn.point_group_name  2/m
_space_group_magn.point_group_number  5.1.12
_cell_length_a                 13.166866
_cell_length_b                 3.681129
_cell_length_c                 8.987757
_cell_angle_alpha              90
_cell_angle_beta               132.2013
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,y,-z,+1
3 -x,-y,-z,+1
4 x,-y,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 1/2+x,1/2+y,z,+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 Mn2+ 0.30820 0.00000 0.68320 1
Mn2 Mn2+ 0.38883 0.00000 0.08690 1
Mn3 Mn2+ 0.00000 0.50000 0.50000 1
Mn4 Mn2+ 0.00000 0.00000 0.00000 1
As1 As 0.06069 0.00000 0.34317 1
As2 As 0.24682 0.00000 0.17768 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
_atom_site_moment.magnitude
Mn1 0.0 -0.52(9) 0.0  0,my,0   0.52(9)
Mn2 0.0 2.55(9) 0.0   0,my,0   2.55(9)
Mn3 0.0 -1.69(14) 0.0 0,my,0   1.69(14)
Mn4 0.0 0.59(6) 0.0   0,my,0   0.59(6)

