#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 22/04/2020 

data_5yOhtAoR
_audit_creation_date            2020-04-22
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Chem. Solids"
_citation_journal_volume        28
_citation_page_first            2143
_citation_page_last             2154
_citation_article_id            ?
_citation_year                  1967
_citation_DOI                   10.1016/0022-3697(67)90238-7

loop_
_citation_author_name
"E.F. Bertaut"
"J. Mareschal"
"G.F. De Vries"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  158
_experiment_temperature  77

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+  1  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Non-standard setting Pbnm of the parent space group
Below 4K some ordering of the Tb moment along y within the same MSG is reported.
Below 3.05 a new phase with a Tb magnetic ordering that breaks further the symmetry (see #2.62) 
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
;

_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  62.446
_space_group_magn.name_BNS  "P n' m' a"
_cell_length_a             5.29100
_cell_length_b             5.51300
_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+1/2,-y+1/2,-z,+1 
3 -x,-y,-z,+1 
4 -x+1/2,y+1/2,z,+1 
5 -x+1/2,y+1/2,-z+1/2,-1 
6 -x,-y,z+1/2,-1 
7 x+1/2,-y+1/2,z+1/2,-1 
8 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
Tb1 Tb 0.48900 0.43600 0.75000
Cr1 Cr 0.50000 0.00000 0.00000
O1 O 0.59600 0.03000 0.75000
O2 O 0.69700 0.30100 0.04900

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tb1 0.00000 0.00000 0.00000 mx,my,0
Cr1 0.00000 0.00000 2.55 mx,my,mz


