#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        57
_citation_page_first            14073
_citation_page_last             14085
_citation_article_id            .
_citation_year                  2018
_citation_DOI                   10.1021/acs.inorgchem.8b01470

loop_
_citation_author_name
"L. Zhang"
"A. Donni"
"V. Y. Pomjakushin"
"K. Yamaura"
"A. A. Belik"

_atomic_positions_source_database_code_ICSD  266215
_atomic_positions_source_other               .

_temperature_position_structure         .
_temperature_atom_positions             130             
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            2.2

_transition_temperature  67
_experiment_temperature  2.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+  1  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure, except lattice parameters, from a determination at 130K.
FM along a
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.447
_space_group_magn.name_BNS  "P n m' a'"
_cell_length_a             5.4592(1)
_cell_length_b             7.3650(1)
_cell_length_c             5.1783(1)
_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+1/2,-z,-1 
6 -x+1/2,-y,z+1/2,-1 
7 x,-y+1/2,z,-1 
8 x+1/2,y,-z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,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 Mn 0.00000 0.00000 0.50000 1.
Mn2 Mn 0.08700 0.25000 0.95100 0.3912
Lu1 Lu 0.08180 0.25000 0.97010 0.6088
O1 O 0.45683 0.25000 0.11011 1.
O2 O 0.31195 0.05492 0.69183 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 3.23(2) 0.0(2) 0.0(1) mx,my,mz     3.23(2)
Mn2 -4.87(5) 0.00000 1.42(8) mx,0,mz   5.07

