#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        30
_citation_page_first            4508
_citation_page_last             4514
_citation_article_id            .
_citation_year                  2018
_citation_DOI                   10.1021/acs.chemmater.8b00250

loop_
_citation_author_name
"M.R. Li"
"P. W. Stephens"
"M. Croft"
"Z. Deng"
"W. Li"
"C. Jin"
"M. Retuerto"
"J. P. Hodges"
"C. E. Frank"
"M. Wu"
"D. Walker"
"M. Greenblatt"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  45
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  9  .

_exptl_crystal_magnetic_properties_details
;
NPD 
Ferrimagnetic along b
A different phase between 45K and 194k is reported with Mn1 having null moment, but with the same MSG.
Non standard parent setting P2_1/n
The magnetic moments associated to mixed sites are here assigned to both atomic species, listed separately.
;

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

_parent_space_group.name_H-M_alt  'P 2_1/n'
_parent_space_group.IT_number                       14
_parent_space_group.transform_Pp_abc  'a,b,-a+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,-a+c;0,0,0'



_space_group_magn.number_BNS  14.75
_space_group_magn.name_BNS  "P 2_1/c"
_cell_length_a             5.211(1)
_cell_length_b             5.372(1)
_cell_length_c             7.594(1)
_cell_angle_alpha          90.00
_cell_angle_beta           90.05(1)
_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 

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 0.0129(4) 0.0531(3) 0.2485(11) 1.
Fe1 Fe 0.00000 0.50000 0.00000 0.732(5)
Mo1 Mo 0.50000 0.00000 0.00000 1.
O1 O 0.3227(8) 0.3052(8) 0.0642(5) 1.
O2 O 0.1871(8) 0.8120(8) 0.0599(6) 1.
O3 O -0.1192(3) 0.4441(3) 0.2558(6) 1.
Mo2 Mo 0.00000 0.50000 0.00000 0.268

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 1.9(1) 0.0 0.9(1) mx,my,mz   2.1(1)
Fe1 -0.4(1) 2.6(2) 0.0 mx,my,mz  2.6(1)
Mo1 0.0 -0.8(1) 0.0 mx,my,mz     0.8(1)
Mo2 -0.4 2.6 0.0 mx,my,mz        2.6

