#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 16:54:39
# Database entry: 0.85 KCo4(PO4)3
# Cif-like file for the case 0.85


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                    'K Co4 (P O4 )3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Chem. Eur. J."
_citation_journal_volume        14
_citation_page_first            10829
_citation_page_last             10838
_citation_article_id            .
_citation_year                  2008
_citation_DOI                   10.1002/chem.200800763

loop_
_citation_author_name
"M. Lopez"
"A. Daidouh"
"C. Pico"
"J. Rodriguez-Carvajal"
"M. Veiga"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     20
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
FM along x
;

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

_parent_space_group.name_H-M_alt  'P  n  n  m'
_parent_space_group.IT_number                       58
_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  58.398
_space_group_magn.name_BNS  "P  n  n'  m'  "
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 9.62900
_cell_length_b                 16.48180
_cell_length_c                 6.16640
_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+1/2,-z+1/2,+1
3 -x,-y,-z,+1
4 -x+1/2,y+1/2,z+1/2,+1
5 -x+1/2,y+1/2,-z+1/2,-1
6 -x,-y,z,-1
7 x+1/2,-y+1/2,z+1/2,-1
8 x,y,-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
K1 K 0.29760 0.46400 0.00000 1
Co1 Co 0.53140 0.09410 0.00000 1
Co2 Co 0.97290 0.14080 0.00000 1
Co3 Co 0.24390 0.25280 0.20000 1
P1 P 0.04270 0.33580 0.00000 1
P2 P 0.45340 0.28040 0.00000 1
P3 P 0.20870 0.03680 0.00000 1
O1 O 0.88110 0.32180 0.00000 1
O2 O 0.61340 0.27600 0.00000 1
O3 O 0.59070 0.12080 0.29830 1
O4 O 0.39060 0.19400 0.00000 1
O5 O 0.11000 0.24650 0.00000 1
O6 O 0.86160 0.04400 0.00000 1
O7 O 0.16600 0.08890 0.19870 1
O8 O 0.90020 0.17900 0.70680 1
O9 O 0.36680 0.02070 0.00000 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 -2.16 0.1 0.0 mx,my,0
Co2 2.8 -1.51 0.0 mx,my,0
Co3 2.94 1.11 0.0 mx,my,mz

