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 = 1.29 GPa ; _database_code_amcsd 0018497 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ni P' _cell_length_a 6.0360 _cell_length_b 4.8684 _cell_length_c 6.8788 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 202.138 _exptl_crystal_density_diffrn 5.893 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ni 0.19450 0.01170 0.39680 0.00800 P 0.05890 0.17440 0.11270 0.01000 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 Ni 0.00800 0.00700 0.00900 0.00000 -0.00100 0.00100 P 0.00700 0.00900 0.01400 0.00000 0.00100 0.00300