#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 01/04/2021

data_5yOhtAoR
_audit_creation_date            2021-04-01
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Bull. Soc. Franc. Miner. Crist."
_citation_journal_volume        91
_citation_page_first            339
_citation_page_last             343
_citation_article_id            ?
_citation_year                  1968
_citation_DOI                   10.3406/bulmi.1968.6239

loop_
_citation_author_name
"S. Quezel-Ambrunaz"

_atomic_positions_source_database_code_ICSD  15719
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  85
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  1  1  .  primary  4  .
mGM1+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
Non-standard parent setting Pbnm 
See #0.289 and #0.371 for other models proposed for this structure
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary: two order parameters in the sense of Landau theory are present
FM along c (Pbnm setting)
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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,c,-b;0,0,0'

_space_group_magn.number_BNS  11.50
_space_group_magn.name_BNS  "P 2_1/m"
_cell_length_a             5.38000
_cell_length_b             5.85400
_cell_length_c             7.55700
_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,-y,z+1/2,+1 
3 -x,-y,-z,+1 
4 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
Nd1_1 Nd 0.50000 0.43600 0.75000
Nd1_2 Nd  0.00000 0.06400 0.25000
Mn1_1 Mn 0.50000 0.00000 0.00000
Mn1_2 Mn  0.00000 0.50000 0.00000
O1_1 O 0.56800 0.02700 0.75000
O1_2 O  0.06800 0.47300 0.25000
O2_1 O 0.70100 0.66900 0.04600
O2_2 O  0.20100 0.83100 0.95400

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
Nd1_1 0.00000 0.00000 0.00000 0,0,mz      0.0
Nd1_2 0.00000 0.00000 0.00000 0,0,mz      0.0
Mn1_1 -1.01 1.38 0.00000 mx,my,mz   1.71
Mn1_2 -1.01 1.38 0.00000 mx,my,mz   1.71

