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


data_5yOhtAoR
_audit_creation_date            2018-10-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Chem. Solids"
_citation_journal_volume        54
_citation_page_first            469
_citation_page_last             475
_citation_article_id            ?
_citation_year                  1993
_citation_DOI                   10.1016/0022-3697(93)90330-T

loop_
_citation_author_name
"M. Reehuis"
"P. Brown"
"W. Jeitschko"
"M. Moller"
"T. Vomhof"




_atomic_positions_source_database_code_ICSD  73652
_atomic_positions_source_other               .

_transition_temperature  309
_experiment_temperature  48

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mLD4  2  1  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
see also (Thompson et al., J. Mater. Chem. C, 2014, 2, 7561)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (12 possible)
2-dim (k,-k) irrep active with special direction
Only half the Nd spins are ordered (symmetry-dictated)
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_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  'a,b,c;0,0,1/4'



_space_group_magn.number_BNS  124.360
_space_group_magn.name_BNS  "P_c 4/m c c"
_cell_length_a             3.89300
_cell_length_b             3.89300
_cell_length_c             19.25600
_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,x,z,+1
3 y,-x,z,+1
4 x,-y,-z,+1
5 -x,y,-z,+1
6 -x,-y,z,+1
7 y,x,-z,+1
8 -y,-x,-z,+1
9 -x,-y,-z+1/2,+1
10 y,-x,-z+1/2,+1
11 -y,x,-z+1/2,+1
12 -x,y,z+1/2,+1
13 x,-y,z+1/2,+1
14 x,y,-z+1/2,+1
15 -y,-x,z+1/2,+1
16 y,x,z+1/2,+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
Nd1_1 Nd 0.00000 0.00000 0.00000
Nd1_2 Nd  0.50000 0.50000 0.25000
Co1 Co 0.00000 0.50000 0.12500
P1_1 P 0.00000 0.00000 0.18510
P1_2 P  0.50000 0.50000 0.43510

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Nd1_1 0.00000 0.00000 0.00000 0,0,0
Nd1_2 0.00000 0.00000 -0.74(7) 0,0,mz
Co1 0.00000 0.00000 0.64(7) 0,0,mz
