#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 18/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-18
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        24
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            076003
_citation_year                  2012
_citation_DOI                   10.1088/0953-8984/24/7/076003

loop_
_citation_author_name
"A. Munoz"
"J.A. Alonso"
"M.J. Martinez-Lope"
"V. Pomjakushin"
"G. Andre"



_atomic_positions_source_database_code_ICSD  84351
_atomic_positions_source_other               .

_transition_temperature  18
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ3+  1  1  .  primary  5  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at room temperature
Another phase (see #1.325) with propagation vector (1/2 0 0) is reported to exist below 25K and coexists with this one below 18K
;

_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 a m'
_parent_space_group.IT_number                       55
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;0,0,0'



_space_group_magn.number_BNS  62.451
_space_group_magn.name_BNS  "P_b n m a"
_cell_length_a             7.55310
_cell_length_b             8.64000
_cell_length_c             11.41500
_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
2 x,y,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pr1 Pr 0.14210 0.17320 0.00000
Mn1 Mn 0.00000 0.50000 0.12915
Mn2 Mn 0.40970 0.35110 0.25000
O1 O 0.00000 0.00000 0.13900
O2 O 0.15660 0.44910 0.00000
O3 O 0.15110 0.43530 0.25000
O4 O 0.40300 0.20670 0.12540

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Pr1 0.00000 0.00000 0.00000 mx,my,0
Mn1 1.47(3) -2.17(4) 0.00000 mx,my,0
Mn2 0.00000 0.00000 0.59(5) 0,0,mz

