#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/49/9014942.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014942
loop_
_publ_author_name
'Dera, P.'
'Lazarz, J. D.'
'Lavina, B.'
_publ_section_title
;
 Pressure-induced development of bonding in NiAs type compounds and
 polymorphism of NiP
 Note: P = 1.29 GPa
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1997
_journal_page_last               2003
_journal_paper_doi               10.1016/j.jssc.2011.05.050
_journal_volume                  184
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni P'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.0360
_cell_length_b                   4.8684
_cell_length_c                   6.8788
_cell_formula_units_Z            8
_cell_volume                     202.138
_database_code_amcsd             0018497
_exptl_crystal_density_diffrn    5.893
_cod_database_code               9014942
_amcsd_formula_title             NiP
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_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
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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018497
