#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/05/2021 

data_5yOhtAoR
_audit_creation_date            2021-05-03
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        92
_citation_page_first            .
_citation_page_last             .
_citation_article_id            134402
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.92.134402

loop_
_citation_author_name
"R. Morrow"
"M. A. Susner"
"M. D. Sumption"
"P. M. Woodward"

_atomic_positions_source_database_code_ICSD  259597
_atomic_positions_source_other               .

_transition_temperature  33
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mS1+  2  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
The propagation vector reported in the paper, (1/2,1/2,1), is equivalent to the simpler one (1/2,1/2,0).
Angle of spins with respect to the a direction: 30(8) degrees
Moment components given here with non-significant digit to reproduce the reported moment magnitude.
A similar model (essentially equal within the standard deviations)  at 25K is also reported in the same publication.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep as primary
The irrep star has two independent k-vectors. Apparently, possible alternative 2k structures, which could equally fit the data, were not considered. 
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_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]

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

_space_group_magn.number_BNS  11.55
_space_group_magn.name_BNS  "P_a 2_1/m"
_cell_length_a             22.36160
_cell_length_b             14.99800
_cell_length_c             7.61270
_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,-y,-z,+1 
4 x,y,-z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/4,y+3/4,z,+1 
3 x+1/2,y+1/2,z,+1 
4 x+3/4,y+1/4,z,+1 
5 x+1/4,y+1/4,z,-1 
6 x+1/2,y,z,-1 
7 x+3/4,y+3/4,z,-1 
8 x,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
_atom_site_occupancy
La1 La 0.00000 0.25000 0.00000 0.9333
Ca2 Ca 0.00000 0.25000 0.00000 0.0667
La3_1 La 0.13870 0.15580 0.25000 0.9333
La3_2 La  0.86130 0.15580 0.25000 0.9333
Ca4_1 Ca 0.13870 0.15580 0.25000 0.0667
Ca4_2 Ca  0.86130 0.15580 0.25000 0.0667
Os1 Os 0.00000 0.00000 0.00000 1.
O1 O 0.00000 0.46175 0.25000 1.
O2_1 O 0.06180 0.09100 0.04030 1.
O2_2 O  0.93820 0.09100 0.45970 1.
O3_1 O 0.18475 0.01550 0.25000 1.
O3_2 O  0.81525 0.01550 0.25000 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
Os1 1.04 0.6 0.00000 mx,my,mz  1.2(2)

