#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:49:20
# Database entry: 0.30 YbMnO3
# Cif-like file for the case 0.30


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                    'Yb Mn O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        78
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            214422
_citation_year                  2008
_citation_DOI                   10.1103/physrevb.78.214422

loop_
_citation_author_name
"X. Fabreges"
"I. Mirebeau"
"P. Bonville"
"S. Petit"
"G. Lebras-Jasmin"
"A. Forget"
"G. Andre"
"S. Pailhes"






_atomic_positions_source_database_code_ICSD   163248
_atomic_positions_source_other               .

_transition_temperature     85
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
modulus magnetic moment Mn: 3.25
other source: PRL 103, 067204 (2009)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim active irrep
;

_parent_space_group.name_H-M_alt  'P  6_3c  m'
_parent_space_group.IT_number                       185
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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


_space_group_magn.number_BNS  185.199
_space_group_magn.name_BNS  "P  6_3'c'  m"
_space_group_magn.point_group_name  "6'mm'"
_space_group_magn.point_group_number  "25.3.93"
_cell_length_a                 6.06290
_cell_length_b                 6.06290
_cell_length_c                 11.35290
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x-y,z,+1
3 -x+y,-x,z,+1
4 -x,-x+y,z,+1
5 x-y,-y,z,+1
6 y,x,z,+1
7 x-y,x,z+1/2,-1
8 -x,-y,z+1/2,-1
9 y,-x+y,z+1/2,-1
10 -x+y,y,z+1/2,-1
11 -y,-x,z+1/2,-1
12 x,x-y,z+1/2,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Yb1 Yb 0.00000 0.00000 0.27400 1
Yb2 Yb 0.333333 0.666667 0.23200 1
Mn1 Mn 0.34500 0.00000 0.00000 1
O1 O 0.30700 0.00000 0.16500 1
O2 O 0.64000 0.00000 0.33600 1
O3 O 0.00000 0.00000 0.47500 1
O4 O 0.333333 0.6666670 0.02000 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 1.88 3.76 0.0 mx,2mx,0

