#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/12/2022

data_5yOhtAoR
_audit_creation_date            2022-07-12
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Sr1 Co2 Fe16 O27"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "IUCrJ"
_citation_journal_volume        6
_citation_page_first            492
_citation_page_last             499
_citation_article_id            .
_citation_year                  2019
_citation_DOI                   10.1107/S2052252519003130

loop_
_citation_author_name
"M. I. Morch"
"J. V. Ahlburg"
"M. Saura-Muzquiz"
"A. Z. Eikeland"
"M. Christensen"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     470(3)
_experiment_temperature     293

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM6+ 2 2 special primary 11 .
mGM4+ 1 1 . secondary 9 no

_exptl_crystal_magnetic_properties_details
;
NPD
Experiment temperature was not found in the article. Here room temperature is assumed
Position structure from the determination done from neutron data.
FM along z. Ferrimagnetic
Fe7PR is a 0.5-occupied split site
The direction of the spins on the basal plane is undetermined. A direction of maximal symmetry is assumed.
Moment component given here with non-significant digit to be consistent with the reported moment moduli
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
1-dim irrep as secondary is symmetry allowed. It corresponds to the mz spin components allowing a canting of the moments out of the basal plane
;

_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,-a+b,c;0,0,0'

_space_group_magn.number_BNS  63.464
_space_group_magn.name_BNS  "C m' c m'"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 5.89460
_cell_length_b                 5.89460
_cell_length_c                 32.74110
_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 -y,-x,-z+1/2,+1 
3 -x,-y,-z,+1 
4 y,x,z+1/2,+1 
5 y,x,-z,-1 
6 -x,-y,z+1/2,-1 
7 -y,-x,z,-1 
8 x,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
Sr1 Sr 0.00000 0.00000 0.25000 1.
Fe7 Fe 0.33333 0.66667 0.74568 0.5
Fe4 Fe 0.33333 0.66667 0.92578 0.922
Co4 Co 0.33333 0.66667 0.92578 0.078
Fe3_1 Fe 0.50000 0.00000 0.00000 0.667
Fe3_2 Fe 0.50000 0.50000 0.00000 0.667
Co3_1 Co 0.50000 0.00000 0.00000 0.333
Co3_2 Co 0.50000 0.50000 0.00000 0.333
Fe1 Fe 0.00000 0.00000 0.05608 0.861
Co1 Co 0.00000 0.00000 0.05608 0.14
Fe2 Fe 0.33333 0.66667 0.09305 0.889
Co2 Co 0.33333 0.66667 0.09305 0.111
Fe6 Fe 0.33333 0.66667 0.20840 0.983
Co6 Co 0.33333 0.66667 0.20840 0.017
Fe5_1 Fe 0.83536 0.67072 0.15114 0.921
Fe5_2 Fe 0.83536 0.16464 0.15114 0.921
Co5_1 Co 0.83536 0.67072 0.15114 0.079
Co5_2 Co 0.83536 0.16464 0.15114 0.079
O1_1 O 0.82510 0.65040 0.03663 1.
O1_2 O 0.34960 0.17470 0.03663 1.
O1_3 O 0.82530 0.17490 0.03663 1.
O2 O 0.33333 0.66667 0.03495 1.
O3_1 O 0.51080 0.02150 0.11088 1.
O3_2 O 0.97850 0.48930 0.11088 1.
O3_3 O 0.51070 0.48920 0.11088 1.
O4 O 0.00000 0.00000 0.11353 1.
O5_1 O 0.16320 0.32630 0.18000 1.
O5_2 O 0.67370 0.83690 0.18000 1.
O5_3 O 0.16310 0.83680 0.18000 1.
O6 O 0.33333 0.66667 0.81920 1.
O7_1 O 0.48320 0.96640 0.25000 1.
O7_2 O 0.48320 0.51680 0.25000 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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Fe7 -1.386 1.386 0.0 mx,-mx,mz 2.4(1) ? ?
Fe4 -1.848 1.848 0.0 mx,-mx,mz 3.2(1) ? ?
Fe3_1 -1.674 1.674 0.0 mx,my,mz 2.9(1) ? ?
Fe3_2 -1.674 1.674 0.0 mx,-mx,mz 2.9(1) ? ?
Fe1 2.425 -2.425 0.0 mx,-mx,mz 4.2(1) ? ?
Fe2 1.905 -1.905 0.0 mx,-mx,mz 3.3(1) ? ?
Fe6 2.194 -2.194 0.0 mx,-mx,mz 3.8(1) ? ?
Fe5_1 -2.021 2.021 0.0 mx,my,mz 3.5(1) ? ?
Fe5_2 -2.021 2.021 0.0 mx,-mx,mz 3.5(1) ? ?

