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



data_5yOhtAoR
_audit_creation_date            2018-09-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Solid State Ionics"
_citation_journal_volume        22
_citation_page_first            3
_citation_page_last             30
_citation_article_id            ?
_citation_year                  1986
_citation_DOI                   10.1016/0167-2738(86)90055-X

loop_
_citation_author_name
"R. Brec"




_atomic_positions_source_database_code_ICSD  646133
_atomic_positions_source_other               .

_transition_temperature  155
_experiment_temperature  ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
Y2-  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
The experimental method is not mentioned
Absolute value of the moment is unknown. An arbitrary value is given here.
see entry #1.231 for a completely different model for the same phase.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'C  2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,1/4,0'



_space_group_magn.number_BNS  11.57
_space_group_magn.name_BNS  "P_C  2_1/m"
_cell_length_a             5.81200
_cell_length_b             10.07000
_cell_length_c             6.63200
_cell_angle_alpha          90.00
_cell_angle_beta           106.98
_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
4 x,-y,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
Ni1 Ni 0.00000 0.33300 0.00000
P1 P 0.05700 0.00000 0.17100
S1 S 0.75100 0.00000 0.24700
S2 S 0.24800 0.16600 0.24800

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Ni1 0.00000 0.00000 1.00000 mx,0,mz
