#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-08
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "JOURNAL OF SOLID STATE CHEMISTRY"
_citation_journal_volume        126
_citation_page_first            15
_citation_page_last             21
_citation_article_id            .
_citation_year                  1996
_citation_DOI                   10.1006/jssc.1996.0303

loop_
_citation_author_name
"R. Glaum"
"M. Reehuis"
"N. Stusser"
"U. Kaiser"
"F. Reinauer"

_atomic_positions_source_database_code_ICSD  82284
_atomic_positions_source_other               .

_transition_temperature  10.3(5)
_experiment_temperature  2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM4  2  1  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Between 10.3K and 25.5K another phase with incommensurate propagation vector is reported
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_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]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;-1/8,1/4,0'



_space_group_magn.number_BNS  62.452
_space_group_magn.name_BNS  "P_c n m a"
_cell_length_a             10.46000
_cell_length_b             7.76700
_cell_length_c             6.24300
_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+1/4,y+1/2,-z+1/2,+1 
3 -x+3/4,-y+1/2,z+1/2,+1 
4 x+1/2,-y,-z,+1 
5 -x+3/4,-y+1/2,-z,+1 
6 x+1/2,-y,z+1/2,+1 
7 x,y,-z+1/2,+1 
8 -x+1/4,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+1/2,y,z,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
V1 V 0.00000 0.00000 0.00000
P1 P 0.00000 0.34400 0.25000
O1_1 O 0.12150 0.46900 0.25000
O1_2 O  0.87850 0.53100 0.75000
O2 O 0.00000 0.25150 0.03900

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
V1 0.00000 0.8(1) 0.00000 0,my,mz  0.8(1)



