#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:51:27
# Database entry: 0.56 Ba2CoGe2O7
# Cif-like file for the case 0.56


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                    'Ba2 Co Ge2 O7'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        86
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            104401
_citation_year                  2012
_citation_DOI                   10.1103/physrevb.86.104401

loop_
_citation_author_name
"V. Hutanu"
"A. Sazonov"
"M. Meven"
"H. Murakawa"
"Y. Tokura"
"S. Bordacs"
"I. Kezsmarki"
"B. Nafradi"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     6.7
_experiment_temperature     2.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
Co moment 2.9(1). Moment components given with non-significant digits to yield this modulus approx.
Multiferroic
Polar along z
Expected weak FM canting along (1,-1,0)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
expected weak FM canting belongs to the same irrep
;

_parent_space_group.name_H-M_alt  'P  -42_1m'
_parent_space_group.IT_number                       113
_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,-a+b,c;1/2,0,0'


_space_group_magn.number_BNS  35.167
_space_group_magn.name_BNS  "C  m'  m  2'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 8.46600
_cell_length_b                 8.46600
_cell_length_c                 5.44500
_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+1/2,x+1/2,z,+1
3 -x,-y,z,-1
4 -y+1/2,-x+1/2,z,-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
Ba_1 Ba 0.83464 0.33466 0.50765 1
Ba_2 Ba 0.33464 0.16536 0.49235 1
Co Co 0.00000 0.00000 0.00000 1
Ge_1 Ge 0.64073 0.14073 0.95981 1
Ge_2 Ge 0.14073 0.35927 0.04019 1
O1_1 O 0.00000 0.50000 0.15942 1
O1_2 O 0.50000 0.00000 0.84058 1
O2_1 O 0.63791 0.13793 0.27045 1
O2_2 O 0.13791 0.36209 0.72955 1
O3_1 O 0.07906 0.18446 0.18857 1
O3_2 O 0.18446 0.92094 0.81143 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
Co 2.05 2.05 0.0 mx,my,0

