##CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 28/02/2018 19:51:40


data_5yOhtAoR
_audit_creation_date            2018-02-28
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physica B"
_citation_journal_volume        215
_citation_page_first            7
_citation_page_last             21
_citation_article_id            ?
_citation_year                  1995
_citation_DOI                   10.1016/0921-4526(95)00021-Z

loop_
_citation_author_name
"Lander, G.H."
"Burlet, P"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  62
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT4  6  1  .  primary  1  .
mW5   6  2  special  secondary 1 .

_exptl_crystal_magnetic_properties_details
;
Taken from a review article
Between 124K and 62K a different 1k magnetic phase (see #3.12)
moment modulus: 2.25
;

_active_magnetic_irreps_details
;
2k magnetic structure
6-dim irrep active (6 k-vectors) with the 2 k-vectors involved.
2k-maximal symmetry (8 possible). Only two of the 2k-maximal MSGs allow non-zero moments in all U sites, being one of them the one that applies to the this structure.
The U atom splits into two sites, which are not symmetry forced to have the same modulus. The possible deviation from equality of the spin moduli of the two sites is due to a symmetry-allowed secondary 2k spin mode (a higher harmonic with propagation vectors k1+2k2 and 2k1+k2)
;

_parent_space_group.name_H-M_alt  'F  m  -3  m  '
_parent_space_group.IT_number                       225
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]
k2 [0 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/8,5/8,0'



_space_group_magn.number_BNS  134.481
_space_group_magn.name_BNS  "P_C4_2/nnm"
_cell_length_a             11.558
_cell_length_b             11.558
_cell_length_c             5.779
_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 -y+1/4,x+1/2,z+1/2,+1
3 y+1/2,-x+1/4,z+1/2,+1
4 x,-y+3/4,-z+1/2,+1
5 -x+3/4,y,-z+1/2,+1
6 -x+3/4,-y+3/4,z,+1
7 y+1/2,x+1/2,-z,+1
8 -y+1/4,-x+1/4,-z,+1
9 -x+1/4,-y+1/4,-z,+1
10 y,-x+3/4,-z+1/2,+1
11 -y+3/4,x,-z+1/2,+1
12 -x+1/4,y+1/2,z+1/2,+1
13 x+1/2,-y+1/4,z+1/2,+1
14 x+1/2,y+1/2,-z,+1
15 -y+3/4,-x+3/4,z,+1
16 y,x,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U1_1 U 0.00000 0.00000 0.00000
U1_2 U  0.00000 0.25000 0.50000
As1_1 As 0.25000 0.25000 0.50000
As1_2 As  0.25000 0.00000 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
U1_1 -1.6 1.6 0.00000 mx,-mx,0
U1_2 -1.6 1.6 0.00000 mx,-mx,0


