#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        4
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104407
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevMaterials.4.104407

loop_
_citation_author_name
"X. Miao"
"Y. Gong"
"L. Caron"
"Y. You"
"G. Xu"
"D. Sheptyakov"
"P. Manuel"
"F. Qian"
"Y. Zhang"
"F. Xu"
"N. van Dijk"
"E. Bruck"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  75
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1    .   primary    2  .
mGM5+  2  2  special primary  1  .

_exptl_crystal_magnetic_properties_details
;
NPD
Two magnetic transitions are detected. One at 260K where the moments are aligned along c (parent hexagonal setting) with only irrep mGM2+ active, and a second one at 75K, where the Mn moment adquires an additional component on the hexagonal basal plane.
As the MSG was incorrectly identified as Pnm'a', the structure is described using a standard unit cell for the subgroup of P63/mmc of type Pnma.
FM along a in the setting used.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps of the hexagonal parent space group are involved as primary, corresponding to the two observed consecutive magnetic transitions.
The second primary irreps is 2-dimensional and is restricted to a special direction.
As the propagation vector of the magnetic arrangement is (0,0,0) and the positional structure is not reported to deviate from the ideal hexagonal positions, the correct MSG of the structure is Cm'c'm (Amc'm' in the setting used).
The unit cell is said in the reference to be constrained by the relation c=sqr(3)*b, but this is inconsistent with the c and b values that are reported. This deviation from hexagonality does not break the C-centered MSG of the structure.
The MSG forces the Co mz to be zero (the second active irrep mGM5+ is only relevant for the Mn sites)
;

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  '-c,-a,a+2b;1/2,1/2,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;0,1/4,1/4'



_space_group_magn.number_BNS  63.462
_space_group_magn.name_BNS  "C m' c' m"
_cell_length_a             5.2579(1)
_cell_length_b             4.0697(1)
_cell_length_c             7.0529(2)
_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+1/2,-y+1/2,-z+1/2,+1
3 -x,-y+1/2,-z+1/2,+1
4 -x+1/2,y,z,+1
5 -x,y,-z+1/2,-1
6 -x+1/2,-y+1/2,z,-1
7 x,-y+1/2,z,-1
8 x+1/2,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,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
Mn1 Mn 0.00000 0.25000 0.75000
Co1 Co 0.25000 0.25000 0.08333
Ge1 Ge 0.75000 0.25000 0.08333

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 2.07(2) 0.00000 0.73(3) mx,0,mz 2.20(3)
Co1 0.76(4) 0.00000 0.00000 mx,0,0  0.76(4)


