#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:18:20
# Database entry: 1.169 CaCoGe2O6
# Cif-like file for the case 1.169


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 Co Ge2 O6'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        181
_citation_page_first            3163
_citation_page_last             3176
_citation_article_id            .
_citation_year                  2008
_citation_DOI                   10.1016/j.jssc.2008.08.014

loop_
_citation_author_name
"G.J. Redhammer"
"G. Roth"
"W. Treutmann"
"W. Paulus"
"G. Andre"
"C. Pietzonka"
"G. Amthauer"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     18.1
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Similar structures are reported for CaFeSi2O6 and CaNiGe2O6 in the same reference, but also a different structure (with k=0) for CaMnGe2O6 (see entry #0.155).
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep active
The point group symmetry of the structure forbids linear magnetoelectricity, in contrast with the magnetic phase of CaMnGe2O6 (see entries #0.155 and #0.156 - Phys. Rev. B (2016) 93, 064423)
;

_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 [1 0 0]

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


_space_group_magn.number_BNS  14.84
_space_group_magn.name_BNS  "P_C  2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 10.14770
_cell_length_b                 8.95180
_cell_length_c                 5.42740
_cell_angle_alpha              90.00
_cell_angle_beta               104.75
_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+1/2,y+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 x+1/2,-y+1/2,z+1/2,+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
Co1 Co 0.00000 0.91230 0.25000 1
Ca1 Ca 0.00000 0.30680 0.25000 1
Ge1 Ge 0.28600 0.09920 0.22800 1
O1 O 0.11030 0.09100 0.13900 1
O2 O 0.36320 0.26310 0.34090 1
O3 O 0.35650 0.03010 0.98190 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
Co1 1.92(4) 0.0 2.75(5) mx,0,mz

