#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/20/2023

data_5yOhtAoR
_audit_creation_date            2023-09-20
_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 Zn2 Fe16 O27"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Appl. Cryst."
_citation_journal_volume        56
_citation_page_first            597
_citation_page_last             602
_citation_article_id            .
_citation_year                  2023
_citation_DOI                   10.1107/S1600576723002133

loop_
_citation_author_name
"M. I. Morch"
"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     590
_experiment_temperature     293

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
The temperature of the experiment is not mentioned. We have assumed to be room temperature.
The mcif file of the structure accompanying the article has atomic positions different from those given the supplemental material and moments, which are clearly incorrect. The data listed in the supplemental material have been assumed to the correct ones.
Cell parameters are those given in the mcif file of the supplemental material
FM along c
Ferrimagnetic
;

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

_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'"
_space_group_magn.point_group_name  "6/mm'm'"
_space_group_magn.point_group_number  "27.6.105"
_cell_length_a                 5.908361(7)
_cell_length_b                 5.908361(7)
_cell_length_c                 32.83268(4)
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              120

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
Sr1 Sr 0 0 0.25 1 
Fe1 Fe 0 0 0.056509(16) 0.421(2) 
Zn1 Zn 0 0 0.056509(16) 0.579(2) 
Fe2 Fe 0.3333333 0.6666667 0.593990(13) 0.860(3) 
Zn2 Zn 0.3333333 0.6666667 0.593990(13) 0.140(3) 
Fe3 Fe 0.5 0 0 0.9023(19)
Zn3 Zn 0.5 0 0 0.0977(19)
Fe4 Fe 0.3333333 0.6666667 0.424857(13) 1.000(3)
Zn4 Zn 0.3333333 0.6666667 0.424857(13) 0.000(3) 
Fe5 Fe 0.16376(3) 0.32752(5) 0.151305(6) 1.000(2)
Zn5 Zn 0.16376(3) 0.32752(5) 0.151305(6) 0.000(2) 
Fe6 Fe 0.3333333 0.6666667 0.708565(12) 0.966(3) 
Zn6 Zn 0.3333333 0.6666667 0.708565(12) 0.034(3)
Fe7 Fe 0.3333333 0.6666667 0.24507(3) 0.5 
O1 O 0.17811(5) 0.35622(11) 0.035224(12) 1 
O2 O 0.3333333 0.6666667 0.53490(2) 1 
O3 O 0.48905(6) -0.02189(12) 0.110539(13) 1 
O4 O 0 0 0.11473(2) 1 
O5 O 0.83720(6) 0.67441(12) 0.180521(11) 1 
O6 O 0.3333333 0.6666667 0.31943(2) 1 
O7 O 0.51523(8) 0.03045(17) 0.25 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
Fe1 0.0 0.0 -3.99(4)                  0,0,mz 3.99(4) ? ?
Fe2 0.0 0.0 -4.511(17)                0,0,mz 4.511(17)  ? ?
Fe3 -0.159(9) -0.319(18) 2.991(17)    mx,2mx,mz 3.00 ? ?
Fe4 0.0 0.0 -3.554(13)                0,0,mz 3.554(13) ? ?
Fe5 0.162(7) 0.324(13) 3.091(5)       mx,2mx,mz 3.10 ? ?
Fe6 0.0 0.0 -4.353(15)                0,0,mz 4.353(15) ? ?
Fe7 0.0 0.0 3.786(14)                 0,0,mz 3.786(14) ? ?

