#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/16/2020 
# correction of adding the zero moments of Mn2_1 and Mn2_2 09/06/2025

data_5yOhtAoR
_audit_creation_date            2020-02-16
_audit_creation_method          "Bilbao Crystallographic Server"



_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        4
_citation_page_first            10025
_citation_page_last             10036
_citation_article_id            ?
_citation_year                  1992
_citation_DOI                   10.1088/0953-8984/4/49/029

loop_
_citation_author_name
"P J Brown"
"J B Forsyth"
"V Nunez"
"F Tasset"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "J. Phys.: Condens. Matter 7 (1995), 7619"

_transition_temperature     66
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
Neutron polarimetry
Moment parameters in the text and table of the the reference are partially inconsistent with the figure shown in the same reference. The values in the text and Table are assumed to be correct.
A different collinear phase is observed above 66K and up to 99K
Positional structure and unit cell from a study at 70K
;

_active_magnetic_irreps_details
;
1k magnetic structure
The reference states that the structure is monoclinic, but in fact it has much lower symmetry (triclinic), with no symmetry except for the lattice and the antitranslation corresponding to the propagation vector. The spin correlations assumed in the model are not dictated by any possible symmetry
Other possible models for this structure have been proposed.
;

_parent_space_group.name_H-M_alt  "P 6_3/m c m"
_parent_space_group.IT_number                       193
_parent_space_group.transform_Pp_abc  "a,b,c;0,0,0"

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 0]

_parent_space_group.child_transform_Pp_abc  "a,a+2b,c;0,0,0" 
_space_group_magn.transform_BNS_Pp_abc  "c,a,a+b;0,0,0"


_space_group_magn.number_BNS  1.3
_space_group_magn.name_BNS  "P_S 1"
_space_group_magn.point_group_name  "11'"
_space_group_magn.point_group_number  "1.2.2"
_cell_length_a                 6.91000
_cell_length_b                 11.96850
_cell_length_c                 4.81400
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1_1 Mn 0.00000 0.33333 0.00000 1
Mn1_2 Mn 0.00000 0.66667 0.50000 1
Mn1_3 Mn 0.00000 0.66667 0.00000 1
Mn1_4 Mn 0.00000 0.33333 0.50000 1
Mn2_1 Mn 0.23600 0.00000 0.25000 1
Mn2_2 Mn 0.76400 0.00000 0.75000 1
Mn2_3 Mn 0.88200 0.11800 0.25000 1
Mn2_4 Mn 0.88200 0.88200 0.25000 1
Mn2_5 Mn 0.11800 0.88200 0.75000 1
Mn2_6 Mn 0.11800 0.11800 0.75000 1
Si1_1 Si 0.59910 0.00000 0.25000 1
Si1_2 Si 0.40090 0.00000 0.75000 1
Si1_3 Si 0.70045 0.29955 0.25000 1
Si1_4 Si 0.70045 0.70045 0.25000 1
Si1_5 Si 0.29955 0.70045 0.75000 1
Si1_6 Si 0.29955 0.29955 0.75000 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  -0.28 1.04 -0.53 Mx,My,Mz 1.20
Mn1_2   0.28 -1.04 0.53 Mx,My,Mz 1.20
Mn1_3   0.28 -1.04 0.53 Mx,My,Mz 1.20
Mn1_4  -0.28 1.04 -0.53 Mx,My,Mz 1.20
Mn2_1   0.0 0.0 0.0 Mx,My,Mz 0.0  
Mn2_2   0.0 0.0 0.0 Mx,My,Mz 0.0
Mn2_3  0.11 -2.16 -0.79 Mx,My,Mz 2.30
Mn2_4 -0.11  2.16  0.79 Mx,My,Mz 2.30
Mn2_5 -0.65 -0.13 -1.73 Mx,My,Mz 1.85
Mn2_6  0.65 0.13 1.73   Mx,My,Mz 1.85
