#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/05/2022

data_5yOhtAoR
_audit_creation_date            2022-07-05
_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        "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     345(3)
_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
Experiment temperature is not mentioned. 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
;

_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                 5.90920
_cell_length_b                 5.90920
_cell_length_c                 32.82930
_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
Sr1 Sr 0.00000 0.00000 0.25000 1.
Fe7PR Fe 0.33333 0.66667 0.74525 0.5
Fe4OS Fe 0.33333 0.66667 0.92472 0.972
Zn4OS Zn 0.33333 0.66667 0.92472 0.028
Fe3OSS Fe 0.50000 0.00000 0.00000 1.
Zn3OSS Zn 0.50000 0.00000 0.00000 0
Fe1TS Fe 0.00000 0.00000 0.05650 0.448
Zn1TS Zn 0.00000 0.00000 0.05650 0.552
Fe2TS Fe 0.33333 0.66667 0.09400 0.764
Zn2TS Zn 0.33333 0.66667 0.09400 0.236
Fe6OR Fe 0.33333 0.66667 0.20856 0.968
Zn6OR Zn 0.33333 0.66667 0.20856 0.032
Fe5ORS Fe 0.83606 0.67212 0.15139 0.965
Zn5ORS Zn 0.83606 0.67212 0.15139 0.035
O1 O 0.82235 0.64470 0.03517 1.
O2 O 0.33333 0.66667 0.03394 1.
O3 O 0.51220 0.02440 0.11054 1.
O4 O 0.00000 0.00000 0.11473 1.
O5 O 0.16173 0.32346 0.18037 1.
O6 O 0.33333 0.66667 0.81945 1.
O7 O 0.48415 0.96830 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
Fe7PR 0.0 0.0 3.5(6) 0,0,mz 3.5(6) ? ?
Fe4OS 0.0 0.0 3.4(5) 0,0,mz 3.4(5) ? ?
Fe3OSS 0.0 0.0 2.4(5) mx,2mx,mz 2.4(5) ? ?
Fe1TS 0.0 0.0 -1.6(1.3) 0,0,mz 1.6(1.3) ? ?
Fe2TS 0.0 0.0 -3.5(6) 0,0,mz 3.5(6) ? ?
Fe6OR 0.0 0.0 -4.4(4) 0,0,mz 4.4(4) ? ?
Fe5ORS 0.0 0.0 2.9(3) mx,2mx,mz 2.9(3) ? ?

