data_global
_amcsd_formula_title 'NiP'
loop_
_publ_author_name
'Dera P'
'Lazarz J D'
'Lavina B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 184 
_journal_year 2011
_journal_page_first 1997
_journal_page_last 2003
_publ_section_title
;
 Pressure-induced development of bonding in NiAs type compounds and
 polymorphism of NiP
 Note: P = 5.79 GPa
;
_database_code_amcsd 0018498
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni7 P7'
_cell_length_a 23.801
_cell_length_b 5.9238
_cell_length_c 4.8479
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 683.517
_exptl_crystal_density_diffrn      6.099
_symmetry_space_group_name_H-M 'C m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni1   0.43680   0.04960   0.42000   0.00900
Ni2   0.14770   0.05520   0.40660   0.00700
Ni3   0.20710   0.44380   0.38420   0.00800
Ni4   0.00000   0.05180   0.89910   0.00800
P1   0.43060   0.31870   0.09910   0.00800
P2   0.14440   0.30940   0.07060   0.00800
P3   0.28940   0.31200   0.22000   0.00800
P4   0.00000   0.31410   0.23620   0.00800
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni1 0.01100 0.01000 0.00500 0.00100 0.00100 0.00000
Ni2 0.00600 0.00700 0.00800 0.00000 0.00200 0.00200
Ni3 0.00800 0.00800 0.00800 0.00300 0.00000 -0.00100
Ni4 0.01000 0.00800 0.00600 0.00000 0.00000 0.00300
P1 0.00300 0.00800 0.01300 -0.00200 -0.00500 0.00100
P2 0.00900 0.00500 0.00900 -0.00100 -0.00100 0.00000
P3 0.00700 0.00800 0.00700 0.00000 -0.00300 -0.00300
P4 0.00900 0.00900 0.00500 0.00000 0.00000 -0.00400