#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        96
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174421
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.96.174421

loop_
_citation_author_name
"M. Tripathi"
"R.J. Choudhary"
"D.M. Phase"
"T. Chatterji"
"H.E. Fischer"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  10
_experiment_temperature  2

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

_exptl_crystal_magnetic_properties_details
;
NPD
Non-standard setting Pbnm of reference parent structure
Between 191K and 40K another magnetic phase is reported. Between 40K and 10K this magnetic phase and the present one coexist.
Moment components and magnitudes only approximated (estimated from the figures of the article).
The sign of the x-component of O2 has been corrected.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
Non-polar structure
;

_parent_space_group.name_H-M_alt  'P n m a'
_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  62.441
_space_group_magn.name_BNS  "P n m a"
_cell_length_a             5.38360
_cell_length_b             5.51560
_cell_length_c             7.68720
_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+1/2,+1
3 -x,-y,z+1/2,+1
4 x+1/2,-y+1/2,-z,+1
5 -x,-y,-z,+1
6 x+1/2,-y+1/2,z+1/2,+1
7 x,y,-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
Sm1 Sm 0.0049 0.0611 0.2500
Cr1 Cr 0.50000 0.00000 0.00000
O1 O 0.1040 0.4716 0.2500
O2 O 0.29280 0.28640 0.04840

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
Sm1 0.00000 0.00000 0.70000 0,0,mz    0.7
Cr1 1.05000 1.20000 1.80000 mx,my,mz   2.4


