#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/04/2021 

data_5yOhtAoR
_audit_creation_date            2021-04-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        55
_citation_page_first            3015
_citation_page_last             3023
_citation_article_id            .
_citation_year                  1997
_citation_DOI                   10.1103/PhysRevB.55.3015

loop_
_citation_author_name
"P. G. Radaelli"
"D. E. Cox"
"M. Marezio"
"S-W. Cheong"

_atomic_positions_source_database_code_ICSD  56660
_atomic_positions_source_other               .

_transition_temperature  155
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ1  2  2  special  primary  3  .
mU1+U4+ 2  2  general primary 6  .

_exptl_crystal_magnetic_properties_details
;
NPD
The structure has a structural modulation, which is not included in the model.
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal magnetic symmetry
two irreps as primary: two order parameters are involved.
The irrep mZ1 (k1) corresponds to the ordering of the Mn1_1 and Mn1_2 moments, while mU1+U4+ (k2) is associated with the ordering of the Mn1_3 moments.
;

_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 1/2]
k2 [1/2 0 1/2]

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

_space_group_magn.number_BNS  11.55
_space_group_magn.name_BNS  "P_a 2_1/m"
_cell_length_a             10.89320
_cell_length_b             7.52470
_cell_length_c             10.95260
_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 

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
La1_1 La 0.00970 0.25000 0.24820 0.5
La1_2 La  0.24030 0.75000 0.49820 0.5
La1_3 La  0.25970 0.25000 0.00180 0.5
La1_4 La  0.50970 0.25000 0.24820 0.5
Ca1_1 Ca 0.00970 0.25000 0.24820 0.5
Ca1_2 Ca  0.24030 0.75000 0.49820 0.5
Ca1_3 Ca  0.25970 0.25000 0.00180 0.5
Ca1_4 Ca  0.50970 0.25000 0.24820 0.5
Mn1_1 Mn 0.00000 0.00000 0.00000 1.
Mn1_2 Mn  0.50000 0.00000 0.00000 1.
Mn1_3 Mn  0.25000 0.00000 0.25000 1.
O1_1 O 0.24525 0.25000 0.28225 1.
O1_2 O  0.00475 0.75000 0.53225 1.
O1_3 O  0.49525 0.25000 0.96775 1.
O1_4 O  0.74525 0.25000 0.28225 1.
O2_1 O 0.13600 0.03370 0.11355 1.
O2_2 O  0.11400 0.96630 0.36355 1.
O2_3 O  0.38600 0.46630 0.13645 1.
O2_4 O  0.63600 0.03370 0.11355 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
Mn1_1 1.01(9) 0.00000 2.80(4) mx,my,mz  2.98(2)
Mn1_2 1.01(9) 0.00000 2.80(4) mx,my,mz  2.98(2)
Mn1_3 0.00000 0.00000 2.57(2) mx,my,mz  2.57(2)




