#\#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        88
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174420
_citation_year                  2013
_citation_DOI                   10.1103/PhysRevB.88.174420

loop_
_citation_author_name
"D. G. Quirinale"
"V. K. Anand"
"M. G. Kim"
"A. Pandey"
"A. Huq"
"P. W. Stephens"
"T. W. Heitmann"
"A. Kreyssig"
"R. J. McQueeney"
"D. C. Johnston"
"A. I. Goldman"

_atomic_positions_source_database_code_ICSD  236862
_atomic_positions_source_other               .

_transition_temperature  52(1)
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1-  1  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Moment magnitude is an approximate upper limit.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep 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 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  126.386
_space_group_magn.name_BNS  "P_I 4/n n c"
_cell_length_a             3.98460
_cell_length_b             3.98460
_cell_length_c             10.20190
_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,x,z,+1 
3 y,-x,z,+1 
4 x,-y,-z,+1 
5 -x,y,-z,+1 
6 -x,-y,z,+1 
7 y,x,-z,+1 
8 -y,-x,-z,+1 
9 -x+1/2,-y+1/2,-z+1/2,+1 
10 y+1/2,-x+1/2,-z+1/2,+1 
11 -y+1/2,x+1/2,-z+1/2,+1 
12 -x+1/2,y+1/2,z+1/2,+1 
13 x+1/2,-y+1/2,z+1/2,+1 
14 x+1/2,y+1/2,-z+1/2,+1 
15 -y+1/2,-x+1/2,z+1/2,+1 
16 y+1/2,x+1/2,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,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
Ca1 Ca 0.00000 0.00000 0.00000 1.
Co1 Co 0.00000 0.50000 0.75000 0.93
As1 As 0.00000 0.00000 0.36640 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
Co1 0.00000 0.00000 0.6 0,0,mz 0.6

