#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/02/2021

data_5yOhtAoR
_audit_creation_date            2021-11-02
_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                    "Sr Mn Sb2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "NATURE MATERIALS"
_citation_journal_volume        16
_citation_page_first            905
_citation_page_last             911
_citation_article_id            .
_citation_year                  2017
_citation_DOI                   10.1038/NMAT4953

loop_
_citation_author_name
"J. Y. Liu"
"J. Hu"
"Q. Zhang"
"D. Graf"
"H. B. Cao"
"S. M. A. Radmanesh"
"D. J. Adams"
"Y. L. Zhu"
"G. F. Cheng"
"X. Liu"
"W. A. Phelan"
"J. Wei"
"M. Jaime"
"F. Balakirev"
"D. A. Tennant"
"J. F. DiTusa"
"I. Chiorescu"
"L. Spinu"
"Z. Q. Mao"

_temperature_position_structure         315
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     565
_experiment_temperature     350

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 315K. The material has some Sr and Mn deficiencies, which are not specified and are not included in the model.
FM along b
Below 304K an additional AFM ordering is reported (see #0.768)
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.448
_space_group_magn.name_BNS  "P n' m a' "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 23.01100
_cell_length_b                 4.38400
_cell_length_c                 4.43400
_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+1/2,-z,+1 
3 -x,-y,-z,+1 
4 x,-y+1/2,z,+1 
5 x+1/2,-y+1/2,-z+1/2,-1 
6 -x+1/2,-y,z+1/2,-1 
7 -x+1/2,y+1/2,z+1/2,-1 
8 x+1/2,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 0.11390 0.25000 0.72500 1
Mn1 Mn 0.25000 0.25000 0.22509 1
Sb1 Sb 0.00160 0.25000 0.21830 1
Sb2 Sb 0.32300 0.25000 0.72400 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 0.0 0.28(6) 0.0 0,my,0 0.28(6) ? ?

