#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/05/2020

data_5yOhtAoR
_audit_creation_date            2020-05-11
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        101
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            144424
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.101.144424

loop_
_citation_author_name
"Q. Cui"
"Q. Huang"
"J.A. Alonso"
"D. Sheptyakov"
"C.R.D. la Cruz"
"M.T. Fernandez-Diaz"
"N.N. Wang"
"Y.Q. Cai"
"D. Li"
"X.L. Dong"
"H.D. Zhou"
"J.-G. Cheng"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  11
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4-  3  3  special  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Co moment modulus (constrained to be equal in the two sites): 3.45(2)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
3-dim irrep along a special direction as primary
Among the three domain-equivalent orientations, the 4-fold axis of the MSG has been chosen along a
;

_parent_space_group.name_H-M_alt  'I a -3 d'
_parent_space_group.IT_number                       230
_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]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,b,-a;1/4,1/4,3/4'



_space_group_magn.number_BNS  142.563
_space_group_magn.name_BNS  "I 4_1/a' c  d"
_cell_length_a             11.4147(3)
_cell_length_b             11.4147
_cell_length_c             11.4147
_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+3/4,z+1/4,-y+1/4,+1
3 x+3/4,-z+3/4,y+1/4,+1
4 x,-y,-z+1/2,+1
5 x+1/2,y,-z+1/2,+1
6 x+1/2,-y,z,+1
7 x+3/4,-z+1/4,-y+3/4,+1
8 x+3/4,z+3/4,y+3/4,+1
9 -x+1/2,-y,z+1/2,-1
10 -x+1/2,y,-z,-1
11 -x+1/4,z+3/4,y+1/4,-1
12 -x+1/4,-z+1/4,-y+1/4,-1
13 -x+1/2,-y+1/2,-z+1/2,-1
14 -x+3/4,-z+1/4,y+1/4,-1
15 -x+3/4,z+3/4,-y+1/4,-1
16 -x+1/2,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+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
Co1_1 Co 0.125 0.0 0.25
Co1_2 Co  0.25 0.125 0.0
Al1 Al 0.0 0.0 0.0
Si1_1 Si 0.375 0.0 0.25
Si1_2 Si  0.25 0.375 0.0
O1_1 O 0.03357(6) 0.05166(6) 0.65303(7)
O1_2 O  0.65303 0.03357 0.05166
O1_3 O  0.05166 0.65303 0.03357

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1_1 3.45 0.0 0.00000 mx,0,0
Co1_2 2.82 0.0 1.99 mx,0,mz

