#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:13:14
# Database entry: 1.116 AgMnVO4
# Cif-like file for the case 1.116


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Ag Mn V O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        221
_citation_page_first            306
_citation_page_last             310
_citation_article_id            .
_citation_year                  2015
_citation_DOI                   10.1016/j.jssc.2014.09.017

loop_
_citation_author_name
"H.B. Yahia"
"M. Shikano"
"E. Gaudin"
"M. Avdeev"
"C.D. Ling"




_atomic_positions_source_database_code_ICSD   246202
_atomic_positions_source_other               .

_transition_temperature     12.1
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mU1+U4+ 2 2 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
k magnetic structure
k-maximal magnetic symmetry (2 possible)
One single physically irreducible active irrep, sum of two conjugate mathematically irreducible ones.
Non-collinear model. The model forces the two symmetry-independent Mn sites to have their x and z spin components coupled with opposite signs.
;

_parent_space_group.name_H-M_alt  'P  n  m  a'
_parent_space_group.IT_number                       62
_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 1/2]

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


_space_group_magn.number_BNS  11.55
_space_group_magn.name_BNS  "P_a  2_1/m"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 19.15560
_cell_length_b                 6.85180
_cell_length_c                 10.74680
_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,y+1/2,-z,+1
3 -x,-y,-z,+1
4 x,-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+1/2,+1
3 x+1/2,y,z,-1
4 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
_atom_site_occupancy
Ag1_1 Ag 0.17500 0.25000 0.00110 1
Ag1_2 Ag 0.07500 0.75000 0.25110 1
Mn1_1 Mn 0.00000 0.00000 0.00000 1
Mn1_2 Mn 0.25000 0.00000 0.25000 1
V1_1 V 0.34010 0.25000 0.01200 1
V1_2 V 0.90990 0.75000 0.26200 1
O1_1 O 0.42750 0.25000 0.02200 1
O1_2 O 0.82250 0.75000 0.27200 1
O2_1 O 0.31700 0.25000 0.35950 1
O2_2 O 0.93300 0.75000 0.60950 1
O3_1 O 0.30600 0.45400 0.08350 1
O3_2 O 0.94400 0.54600 0.33350 1

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Mn1_1 2.73(8) 0.0 -2.93(8) mx,my,mz
Mn1_2 -2.73 0.0 -2.93 mx,my,mz

