data_1519106
_publ_section_title
;
 The incommensurately modulated structure of NiBi
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              353
_journal_page_last               363
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Bi Ni0.92'
_chemical_formula_weight         262.978
_space_group_IT_number           51
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      51
_symmetry_space_group_name_Hall  '-P 2c 2'
_symmetry_space_group_name_H-M   'P m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.1527
_cell_length_b                   14.1209
_cell_length_c                   5.3243
_cell_volume                     612.952
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    66.55
_exptl_crystal_density_diffrn    3.432
_refine_ls_number_parameters     55
_refine_ls_number_reflns         1092
_refine_ls_R_factor_gt           0.077
_refine_ls_wR_factor_gt          0.078
_[local]_cod_data_source_file    SSS-2000-2-353-363.cif
_[local]_cod_data_source_block   NiBi
_cod_depositor_comments
;
Superspace group : 
W:Pmcm:ss-1
See much more in the paper...
;
_cod_original_cell_volume        612.95
_cod_database_code               1519106
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,1/2+z
4 x,-y,-z
5 -x,-y,-z
6 x,-y,1/2+z
7 x,y,1/2-z
8 -x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Bi1 0.0096(4) 0.0126(6) 0.0108(5) 0 0 0
Bi2 0.0198(7) 0.0106(6) 0.0102(5) 0 0 0
Ni1 0.012(2) 0.011(1) 0.010(2) 0 0 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1 Bi 0.25 0.0892(1) 0.25 .
Bi2 Bi 0. 0.1719(1) 0.75 .
Ni1 Ni 0 0 0 .
Ni2 Ni 0.25 0.25 0. 0.0154(7)
Ni3 Ni 0.25 0.0834(5) 0.75 -0.004(2)
