#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/10/2020

data_5yOhtAoR
_audit_creation_date            2020-10-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        100
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            174406
_citation_year                  2019
_citation_DOI                   10.1103/PhysRevB.100.174406

loop_
_citation_author_name
"J.-R. Soh"
"P. Manuel"
"N.M.B. Schroter"
"C.J. Yi"
"F. Orlandi"
"Y.G. Shi"
"D. Prabhakaran"
"A.T. Boothroyd"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "Yi et al., PHYSICAL REVIEW B 96, 205103"

_transition_temperature  21(2)
_experiment_temperature  ?

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

_exptl_crystal_magnetic_properties_details
;
NPD
Above 21K up to 350K another phase with only Mn magnetically ordered (see #0.421)
Positional structure from a measurement at 300K
The Sb atomic positions are however not reported. They have been taken here from the reference indicated above.
Absolute magnetic moments are not reported. Also relative scale between Mn and Eu is unknown. An arbitrary scale for the moments in each site is used here.
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two 1-dim irreps are involved. One for the Mn ordering and another one for the one the Eu sites.
The irrep and the direction of the moments of the Eu atoms stated in the text is inconsistent with the abstract and Figure of the structure in the original reference. Here the Figure and abstract have been assumed correct, and the label of the active irrep for the Eu ordering has been corrected.
See entry #0.424 for a rather different model of this phase, with a different MSG and a single irrep active.
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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  11.53
_space_group_magn.name_BNS  "P 2_1/m'"
_cell_length_a             22.567
_cell_length_b             4.371
_cell_length_c             4.409
_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+1/2,-z,+1
3 -x,-y,-z,-1
4 x,-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
Eu1_1 Eu 0.38637 0.25000 0.76977
Eu1_2 Eu  0.11363 0.75000 0.26977
Mn1_1 Mn 0.24970 0.25000 0.27005
Mn1_2 Mn  0.25030 0.75000 0.77005
Sb1_1 Sb 0.17468 0.25000 0.77005
Sb1_2 Sb  0.32532 0.75000 0.27005
Sb2_1 Sb 0.49905 0.25000 0.27819
Sb2_2 Sb  0.00095 0.75000 0.77819

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
Eu1_1 0.00000 0.00000 -1.50000 mx,0,mz  ?
Eu1_2 0.00000 0.00000  1.50000 mx,0,mz  ?
Mn1_1 1.00000 0.00000 0.00000 mx,0,mz   ?
Mn1_2 -1.00000 0.00000 0.00000 mx,0,mz  ?

