#\#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  15718
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  91
_experiment_temperature  1.5

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

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
Non-standard parent setting Pbnm
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
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  'b,c,a;0,0,0'

_space_group_magn.number_BNS  62.448
_space_group_magn.name_BNS  "P n' m a'"
_cell_length_a             5.54500
_cell_length_b             5.78700
_cell_length_c             7.57500
_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 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 x+1/2,-y+1/2,-z,-1 
7 x+1/2,-y+1/2,z+1/2,-1 
8 -x+1/2,y+1/2,z,-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
Pr1 Pr 0.50800 0.43600 0.75000
Mn1 Mn 0.50000 0.00000 0.00000
O1 O 0.57500 0.02400 0.75000
O2 O 0.70500 0.31400 0.04600

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
Pr1 0.00000 0.00000 0.00000 0,0,mz   0.0
Mn1 0.00000 1.77 0.00000 mx,my,mz    1.77

