#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:59
# Database entry: 1.79 Li2CoSiO4
# Cif-like file for the case 1.79


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                    'Li2 Co Si O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Solid State Chem."
_citation_journal_volume        216
_citation_page_first            42
_citation_page_last             48
_citation_article_id            .
_citation_year                  2014
_citation_DOI                   10.1016/j.jssc.2014.04.028

loop_
_citation_author_name
"M. Avdeev"
"Z. Mohamed"
"C.D. Ling"





_atomic_positions_source_database_code_ICSD   245536
_atomic_positions_source_other               .

_transition_temperature     14
_experiment_temperature     3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT1 2 2 special primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
Structure reported in citation was refined with the x,y coordinates of one atom erroneously kept fixed.
Structure here from icsd 24536 transformed to a standard setting.
a and b have opposite directions than in citation.
Parent phase has polar symmetry.
Parent is pseudosymmetric (Pnma, max. displacements 0.6 A)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (2 possible)
Only one irrep in the magnetic representation: restriction to one irrep introduces no restriction.
Parent is pseudosymmetric (Pnma, max. displacements 0.6 A)
;

_parent_space_group.name_H-M_alt  'P  n  a  2_1'
_parent_space_group.IT_number                       33
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  'a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,b,-a;0,1/8,0'


_space_group_magn.number_BNS  9.41
_space_group_magn.name_BNS  "C_a  c"
_space_group_magn.point_group_name  "m1'"
_space_group_magn.point_group_number  "4.2.10"
_cell_length_a                 10.68500
_cell_length_b                 12.50600
_cell_length_c                 9.85800
_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+1/2,-y+1/4,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x,y,z+1/2,-1
4 x,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_1 Co2+ 0.16480 0.24650 0.37280 1
Co1_2 Co2+ 0.83520 0.75350 0.62280 1
Si1_1 Si 0.41360 0.12460 0.36945 1
Si1_2 Si 0.58640 0.87540 0.61945 1
Li1_1 Li 0.16020 0.49530 0.35515 1
Li1_2 Li 0.83980 0.50470 0.60515 1
Li2_1 Li 0.42440 0.36970 0.37235 1
Li2_2 Li 0.57560 0.63030 0.62235 1
O1_1 O 0.41050 0.12445 0.20520 1
O1_2 O 0.58950 0.87555 0.45520 1
O2_1 O 0.55780 0.12665 0.42375 1
O2_2 O 0.44220 0.87335 0.67375 1
O3_1 O 0.34100 0.01545 0.42395 1
O3_2 O 0.65900 0.98455 0.67395 1
O4_1 O 0.34200 0.23220 0.42595 1
O4_2 O 0.65800 0.76780 0.67595 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 -2.92(4) 0.0 0.0 mx,my,mz
Co1_2 -2.92(4) 0.0 0.0 mx,my,mz

