#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:06
# Database entry: 0.156 CaMnGe2O6
# Cif-like file for the case 0.156


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                    'Ca Mn Ge2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        93
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064423
_citation_year                  2016
_citation_DOI                   10.1103/PhysRevB.93.064423

loop_
_citation_author_name
"L. Ding"
"C.V. Colin"
"C. Darie"
"J. Robert"
"F. Gay"
"P. Bordet"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     15
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure from a room temperature measurement
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic structure (4 possible)
1-dim irrep active
Linear magnetolectricity is symmetry allowed and is observed. An alternative model of lower symmetry was reported earlier (see entry # 0.155). Contrary to the statement in the report of the present structure, this previous model is not incompatible with linear magnetoelectricity, and cannot be discarded with this argument.
;

_parent_space_group.name_H-M_alt  'C  2/c'
_parent_space_group.IT_number                       15
_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  15.87
_space_group_magn.name_BNS  "C  2'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 10.27940
_cell_length_b                 9.17560
_cell_length_c                 5.47140
_cell_angle_alpha              90.00
_cell_angle_beta               104.24
_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,z+1/2,+1
3 -x,y,-z+1/2,-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
_atom_site_occupancy
Ca1 Ca 0.00000 0.30750 0.25000 1
Mn1 Mn 0.00000 0.90500 0.25000 1
Ge1 Ge 0.28600 0.09580 0.23190 1
O1 O 0.11330 0.09490 0.14443 1
O2 O 0.36680 0.25320 0.35450 1
O3 O 0.35650 0.03240 0.98020 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 4.30(1) 0.0 1.14(3) mx,0,mz

