#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/01/2021

data_5yOhtAoR
_audit_creation_date            2021-01-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        62
_citation_page_first            57
_citation_page_last             67
_citation_article_id            .
_citation_year                  1986
_citation_DOI                   10.1016/0304-8853(86)90734-1

loop_
_citation_author_name
"A. Collomb"
"P. Wolfers"
"X. Obradors"



_atomic_positions_source_database_code_ICSD  60987
_atomic_positions_source_other               .

_transition_temperature  452(3)
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  9   .

_exptl_crystal_magnetic_properties_details
;
NPD
In the case of the Fe/Mg mixed sites, the listed magnetic moments are site moments, here for simplicity they are assigned to the Fe positions.
Ferrimagnetic
;

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

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  194.270
_space_group_magn.name_BNS  "P 6_3/m m' c'"
_cell_length_a             5.89200
_cell_length_b             5.89200
_cell_length_c             32.85000
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x-y,x,z+1/2,+1
3 -y,x-y,z,+1
4 -x,-y,z+1/2,+1
5 -x+y,-x,z,+1
6 y,-x+y,z+1/2,+1
7 -x,-y,-z,+1
8 -x+y,-x,-z+1/2,+1
9 y,-x+y,-z,+1
10 x,y,-z+1/2,+1
11 x-y,x,-z,+1
12 -y,x-y,-z+1/2,+1
13 x-y,-y,-z,-1
14 y,x,-z,-1
15 -x,-x+y,-z,-1
16 x,x-y,-z+1/2,-1
17 -x+y,y,-z+1/2,-1
18 -y,-x,-z+1/2,-1
19 -x+y,y,z,-1
20 -y,-x,z,-1
21 x,x-y,z,-1
22 -x,-x+y,z+1/2,-1
23 x-y,-y,z+1/2,-1
24 y,x,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
Ba1 Ba 0.00000 0.00000 0.25000 1.
Fe1 Fe 0.33333 0.66667 0.75000 1.
Fe2 Fe 0.33333 0.66667 0.57460 0.914
Mg1 Mg 0.33333 0.66667 0.57460 0.086
Fe3 Fe 0.50000 0.00000 0.00000 0.595
Mg2 Mg 0.50000 0.00000 0.00000 0.405
Fe4 Fe 0.00000 0.00000 0.05580 0.852
Mg3 Mg 0.00000 0.00000 0.05580 0.148
Fe5 Fe 0.33333 0.66667 0.09330 0.876
Mg4 Mg 0.33333 0.66667 0.09330 0.124
Fe6 Fe 0.33333 0.66667 0.20820 1.
Fe7 Fe 0.83620 0.67240 0.14950 1.
O1 O 0.00000 0.00000 0.11600 1.
O2 O 0.33333 0.66667 0.03170 1.
O3 O 0.33333 0.66667 0.67300 1.
O4 O 0.48900 0.97800 0.25000 1.
O5 O 0.50300 0.00600 0.10960 1.
O6 O 0.82500 0.65000 0.03710 1.
O7 O 0.16400 0.32800 0.18200 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
Fe1 0.00000 0.00000 3.8(1) 0,0,mz        3.8(1)
Fe2 0.00000 0.00000 4.1(1) 0,0,mz        4.1(1)
Fe3 0.00000 0.00000 3.0(1) mx,2mx,mz     3.0(1)
Fe4 0.00000 0.00000 -4.1(2) 0,0,mz      -4.1(2)
Fe5 0.00000 0.00000 -4.0(1) 0,0,mz      -4.0(1)
Fe6 0.00000 0.00000 -5.0(1) 0,0,mz      -5.0(1)
Fe7 0.00000 0.00000 4.6(1) mx,2mx,mz     4.6(1)

