#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/28/2024

data_5yOhtAoR
_audit_creation_date            2024-12-28
_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                    "Sr2 Mn1 Si2 O7"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. B"
_citation_journal_volume        80
_citation_page_first            393
_citation_page_last             400
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1107/S2052520624007625

loop_
_citation_author_name
"Y. Nambu"
"M. Kawamata"
"X. Pang"
"H. Murakawa"
"M. Avdeev"
"H. Kimura"
"H. Masuda"
"N. Hanasakie"
"Y. Onose"

_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     3.4
_experiment_temperature     1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5 2 2 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Structure polar along z 
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction
;

_parent_space_group.name_H-M_alt  'P -4 2_1 m'
_parent_space_group.IT_number                       113
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a-b,a+b,c;1/2,0,0'


_space_group_magn.number_BNS  36.177
_space_group_magn.name_BNS  "C_c m c 2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 8.12170(7)
_cell_length_b                 8.12177(6)
_cell_length_c                 10.29773(6)
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_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,-y,z+1/2,+1 
3 y+1/2,x+1/2,z,+1 
4 -y+1/2,-x+1/2,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y,z+1/2,-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 0.00000 0.00000 0.006(3) 1
Sr1_1 Sr 0.8284(8) 0.3284(8) 0.251(4) 1
Sr1_2 Sr 0.3400(8) 0.1600(8) 0.756(4) 1
Si1_1 Si 0.6385(18) 0.1385(18) 0.041(4) 1
Si1_2 Si 0.1370(18) 0.3630(18) 0.977(5) 1
O1_1 O 0.00000 0.50000 0.414(4) 1
O1_2 O 0.50000 0.00000 0.581(4) 1
O2_1 O 0.6447(13) 0.1447(13) 0.377(4) 1
O2_2 O 0.1322(11) 0.3679(11) 0.629(4) 1
O3_1 O 0.0842(9)  0.1991(13) 0.401(4) 1
O3_2 O 0.1901(13) 0.9288(10) 0.609(4) 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
Mn1 2.3(3) 2.2(3) 0.0 mx,my,0 3.2(3) ? ?

