#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:07:42
# Database entry: 1.42 La2NiO4
# Cif-like file for the case 1.42


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                    'La2 Ni O4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        3
_citation_page_first            3215
_citation_page_last             3234
_citation_article_id            .
_citation_year                  1991
_citation_DOI                   10.1088/0953-8984/3/19/002

loop_
_citation_author_name
"J. Rodriguez-Carvajal"
"M.T. Fernandez-Diaz"
"J.L. Martinez"





_atomic_positions_source_database_code_ICSD   69753
_atomic_positions_source_other               .

_transition_temperature     330
_experiment_temperature     120

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+ 1 1 . primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
magnetic moment only approximate
parent phase in non-standard setting Bmeb
transformations refer to this setting
spin configuration as in the subsequent phase
with tetragonal space group N. 138.
spins are symmetry restricted to the direction x
;

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

_parent_space_group.name_H-M_alt  'B  m  e  b'
_parent_space_group.IT_number                       64
_parent_space_group.transform_Pp_abc  'a,c,-b;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,c,-b;0,0,0'


_space_group_magn.number_BNS  53.335
_space_group_magn.name_BNS  "P_C  m  n  a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 5.4419
_cell_length_b                 5.5364
_cell_length_c                 12.4896
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x,-y,-z,+1
3 -x+1/2,-y+1/2,z,+1
4 -x+1/2,y+1/2,-z,+1
5 -x,-y,-z,+1
6 -x,y,z,+1
7 x+1/2,y+1/2,-z,+1
8 x+1/2,-y+1/2,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,z+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.00000 -0.01020 0.36390 1
Ni1 Ni 0.00000 0.00000 0.00000 1
O1 O 0.25000 0.75000 0.01090 1
O2 O 0.00000 0.04170 0.17710 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
Ni1 1.6 0.0 0.0 mx,0,0

