#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/12/2020


data_5yOhtAoR
_audit_creation_date            2020-12-10
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Chem. Solids
21(1961)234."
_citation_journal_volume        21
_citation_page_first            234
_citation_page_last             ?
_citation_article_id            .
_citation_year                  1961
_citation_DOI                   10.1016/0022-3697(61)90103-2


loop_
_citation_author_name
"E. Bertaut"
"L. Corliss"
"F. Forrat"
"R. Aleonard"
"R. Pauthenet"



_atomic_positions_source_database_code_ICSD  29216
_atomic_positions_source_other               .

_transition_temperature  125
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Saturated spin-only (S=5/2) moments are assumed for the Mn sites.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
Linear magnetoelectricity is symmetry allowed
;

_parent_space_group.name_H-M_alt  'P -3 c 1'
_parent_space_group.IT_number                       165
_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  'a,b,c;0,0,0'



_space_group_magn.number_BNS  165.94
_space_group_magn.name_BNS  "P -3' c' 1"
_cell_length_a             5.33500
_cell_length_b             5.33500
_cell_length_c             14.32000
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 x-y,-y,-z+1/2,+1
5 y,x,-z+1/2,+1
6 -x,-x+y,-z+1/2,+1
7 -x,-y,-z,-1
8 y,-x+y,-z,-1
9 x-y,x,-z,-1
10 -x+y,y,z+1/2,-1
11 -y,-x,z+1/2,-1
12 x,x-y,z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1 Mn 0.33333 0.66667 0.01810
Mn2 Mn 0.33333 0.66667 0.29700
Nb1 Nb 0.00000 0.00000 0.35750
O1 O 0.30000 0.00000 0.25000
O2 O 0.33400 0.29500 0.08840

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 0.00000 0.00000 5.9 0,0,mz  5.9
Mn2 0.00000 0.00000 5.9 0,0,mz  5.9

