#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/02/2020

data_5yOhtAoR
_audit_creation_date            2020-02-04
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        7
_citation_page_first            7619
_citation_page_last             7628
_citation_article_id            ?
_citation_year                  1995
_citation_DOI                   10.1088/0953-8984/7/39/004

loop_
_citation_author_name
"P.J. Brown"
"J.B. Forsyth"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  99
_experiment_temperature  70

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM3+  3  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NSD, neutron polarimetry and NPD
Atomic positions also refined at the same temperature
See #1.88 (Gottschilch, M. et al., J. Mater. Chem. (2012) 22 15275 - 15284) for a more recent magnetic structure determination of the same phase.
A different non-collinear phase exists below 66K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim small irrep active
The structure suffers a significant orthorhombic distortion with the magnetic ordering
The effective space group for the atomic positions is Cmcm (Ccmm in the setting used)
The label of the MSG has been changed to its standard form in the BNS notation
;

_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  'b,-a,c;0,0,0'



_space_group_magn.number_BNS  60.431
_space_group_magn.name_BNS  "P_C b c n"
_cell_length_a             6.91000
_cell_length_b             11.96850
_cell_length_c             4.81400
_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
3 x,-y,-z+1/2,+1
4 -x+1/2,-y+1/2,z+1/2,+1
5 -x,-y,-z,+1
6 x+1/2,-y+1/2,z,+1
7 -x,y,z+1/2,+1
8 x+1/2,y+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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.00000 0.3328(2) 0.00000
Mn2_1 Mn 0.2392(4) 0.00000 0.25000
Mn2_2 Mn 0.8826(3) 0.8820(2) 0.25000
Si1_1 Si 0.5991(3) 0.00000 0.25000
Si1_2 Si 0.7002(2) 0.7000(1) 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1 0.00000 0.00000 0.00000 mx,0,mz
Mn2_1 0.00000 0.00000 0.00000 mx,0,0
Mn2_2 0.00000 1.48(1) 0.00000 mx,my,0

