#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/11/2020 

data_5yOhtAoR
_audit_creation_date            2020-11-03
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        57
_citation_page_first            15379
_citation_page_last             15388
_citation_article_id            ?
_citation_year                  2018
_citation_DOI                   10.1021/acs.inorgchem.8b02698

loop_
_citation_author_name
"J. N. Blandy"
"S. Liu"
"C. F. Smura"
"S. J. Cassidy"
"D. N. Woodruff"
"J. E. McGrady"
"S. J. Clarke"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  unkown
_experiment_temperature  1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mP5 4  2  special  primary  1  .


_exptl_crystal_magnetic_properties_details
;
NPD
Oblique unit cell with respect to that of the parent I4/mmm structure
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim irrep along a special direction as primary.
;

_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 1/2]

_parent_space_group.child_transform_Pp_abc  'a-b,a+b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,1/4,-1/8'



_space_group_magn.number_BNS  122.338
_space_group_magn.name_BNS  "I_c -4 2 d"
_cell_length_a             5.61430
_cell_length_b             5.61430
_cell_length_c             37.57900
_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 x+1/2,-y+1/2,-z+1/2,+1 
4 -x+1/2,-y+1/2,z,+1 
5 -y+1/2,x,-z+3/4,+1 
6 y,-x+1/2,-z+3/4,+1 
7 -y,-x+1/2,z+3/4,+1 
8 y+1/2,x,z+3/4,+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+1/2,+1 
3 x,y,z+1/2,-1 
4 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 0.20570
Cu1 Cu 0.00000 0.00000 0.00000
O1 O 0.75000 0.25000 0.00000
Cu2_1 Cu 0.75000 0.25000 0.12500
Cu2_2 Cu 0.25000 0.25000 0.12500
Se1 Se 0.00000 0.00000 0.08425

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
Cu1 0.39(6) 0.00000 0.00000 mx,0,0  0.39(6)

