#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/09/2018 20:22:01
# icsd_250632_modified_with_paperdata_Sr.cif

data_5yOhtAoR
_audit_creation_date            2018-09-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        264
_citation_page_first            119
_citation_page_last             123
_citation_article_id            ?
_citation_year                  2018
_citation_DOI                   0.1016/j.jssc.2018.05.018

loop_
_citation_author_name
"S.J. Herkelrath"
"J.N. Blandy"
"S.J. Clarke"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  190
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mX3+  2  1  special  primary  1  .
mX4+  2  1  special  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
ISODISTORT and TOPAS employed
The setting used to describe the spin arrangement in the original reference is inconsistent with the figure in the article. We have corrected interchanging the spin components guided by the figure in the article.
The spin arrangement is not described in the standard setting of the reported MSG. An origin shift is required.
A fully equivalent arrangement corresponding to a domain related structure is obtained by switching the direction  of the moments of the layer at z=1/2. The symmetry of this equivalent structure is given by the same MSG, but in this case in its standard setting.
A similar structure reported for Ba2CoO2Ag2Se2 (see entry #2.24)
;

_active_magnetic_irreps_details
;
2k magnetic structure
Two irreps active as primary
The fact that the reported model is a multi-k structure is not mentioned in the original report
A collinear model (probably 1k structure) is reported to fit equally well the experimental data.
The authors have chosen the tetragonal model (implying a multi-k arrangement) because of its higher symmetry.
;

_parent_space_group.name_H-M_alt  'I  4/m  m  m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]
k2 [1/2 -1/2 0]

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



_space_group_magn.number_BNS  86.73
_space_group_magn.name_BNS  "P_C  4_2/n"
_cell_length_a             5.80120
_cell_length_b             5.80120
_cell_length_c             19.42650
_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 -y+1/2,x,z+1/2,+1
3 y,-x+1/2,z+1/2,+1
4 -x+1/2,-y+1/2,z,+1
5 -x,-y,-z,+1
6 y+1/2,-x,-z+1/2,+1
7 -y,x+1/2,-z+1/2,+1
8 x+1/2,y+1/2,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1 Sr 0.00000 0.00000 0.41682
Co1 Co 0.00000 0.00000 0.00000
O1_1 O 0.25000 0.25000 0.00000
O1_2 O 0.25000 0.75000 0.00000
Ag1_1 Ag 0.25000 0.25000 0.25000
Ag1_2 Ag 0.25000 0.75000 0.25000
Se1 Se 0.00000 0.00000 0.15535

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 3.7(1) 0.7(1) 0.00000 mx,my,0