#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/01/2019


data_5yOhtAoR
_audit_creation_date            2019-01-06
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        78
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            184410
_citation_year                  2008
_citation_DOI                   10.1103/PhysRevB.78.184410

loop_
_citation_author_name
"O.A. Petrenko"
"G. Balakrishnan"
"N.R. Wilson"
"S. de Brion"
"E. Suard"
"L.C. Chapon"




_atomic_positions_source_database_code_ICSD  239309
_atomic_positions_source_other               .

_transition_temperature  0.75
_experiment_temperature  0.55

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

_exptl_crystal_magnetic_properties_details
;
NPD
Positions structure from an experiment at 80K
non-standard setting of the parent phase
Only one of the Er sites has a sizeable ordered magnetic moment. The moment of the other Er site is estimated to be smaller than 0.5 muB.
The moments of the two Er sites can be swapped without a significant change of the fit of the data.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep active. Irrep label used corresponds to the standard setting of the parent space group (Pnma)
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,c,-b;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  62.445
_space_group_magn.name_BNS  "P  n  m  a'"
_cell_length_a             10.04510
_cell_length_b             11.86760
_cell_length_c             3.38990
_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+1/2,y+1/2,z+1/2,+1
4 x,y,-z+1/2,+1
5 x+1/2,-y+1/2,-z+1/2,-1
6 -x,-y,z+1/2,-1
7 -x,-y,-z,-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
Sr1 Sr 0.75390 0.65050 0.25000
Er1 Er 0.42280 0.11000 0.25000
Er2 Er 0.42310 0.61200 0.25000
O1 O 0.21070 0.17420 0.25000
O2 O 0.12470 0.48020 0.25000
O3 O 0.51480 0.78370 0.25000
O4 O 0.42380 0.42230 0.25000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Er1 0.00000 0.00000 4.5 0,0,mz
Er2 0.00000 0.00000 0.00000 0,0,mz
