#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 14/05/2020


data_5yOhtAoR
_audit_creation_date            2020-05-14
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        62
_citation_page_first            14149
_citation_page_last             14156
_citation_article_id            ?
_citation_year                  2000
_citation_DOI                   10.1103/PhysRevB.62.14149

loop_
_citation_author_name
"R.K. Li"
"C. Greaves"




_atomic_positions_source_database_code_ICSD  248455
_atomic_positions_source_other               .

_transition_temperature  255
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  3  .
mX1-   1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The moments are associated to the shared Fe/Cu sites. Here they are only assigned for simplicity to Fe sites.
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal magnetic symmetry
Two irreps active as primary (with different propagation vectors): two order parameters present in the sense of Landau theory.
The mGM2+ mode relates the y component of the two MSG independent Fe/Cu sites: (my,my)
The mX1- mode relates the x component of the two MSG independent Fe/Cu sites: (mx,-mx)
The relative sign of the two irrep components is in principle arbitrary (a change of their relative sign represents a domain related configuration)
Symmetry-allowed weak FM along c
;

_parent_space_group.name_H-M_alt  'I b a m'
_parent_space_group.IT_number                       72
_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]
k2 [1 1 1]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,1/4,1/4'



_space_group_magn.number_BNS  56.369
_space_group_magn.name_BNS  "P c' c' n"
_cell_length_a             5.40810
_cell_length_b             10.71110
_cell_length_c             20.24120
_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
3 -x+1/2,-y+1/2,-z+1/2,+1
4 x+1/2,y+1/2,-z+1/2,+1
5 x+1/2,-y+1/2,-z,-1
6 -x+1/2,y+1/2,-z,-1
7 -x,y,z+1/2,-1
8 x,-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
Y1_1 Y 0.20920 0.36192 0.18413 1.
Y1_2 Y  0.79080 0.63808 0.81587 1.
Sr1 Sr 0.20670 0.36570 0.00000 1.
Cu1_1 Cu 0.71680 0.38326 0.09807 0.495
Cu1_2 Cu  0.28320 0.61674 0.90193 0.495
Fe2_1 Fe 0.71680 0.38326 0.09807 0.505
Fe2_2 Fe  0.28320 0.61674 0.90193 0.505
O1 O 0.19600 0.10894 0.00000 1.
O2_1 O 0.00000 0.50000 0.10631 1.
O2_2 O  0.00000 0.50000 0.89369 1.
O3 O 0.50000 0.00000 0.25000 1.
O4 O 0.00000 0.22246 0.25000 1.
O5_1 O 0.45650 0.25276 0.10793 1.
O5_2 O  0.54350 0.74724 0.89207 1.
O6_1 O 0.00000 0.00000 0.35581 1.
O6_2 O  0.00000 0.00000 0.64419 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
Cu1_1 0.00000 0.00000 0.00000 mx,my,mz
Cu1_2 0.00000 0.00000 0.00000 mx,my,mz
Fe2_1 -1.56(2) 1.36(2) 0.00000 mx,my,mz
Fe2_2 1.56 1.36 0.00000 mx,my,mz

