#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/97/1539773.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539773
loop_
_publ_author_name
'Dewalsky, M.V.'
'Jeitschko, W.'
_publ_section_title
;
 Preparation, physical properties and crystal structure of Mo Ni P8 and W
 Ni P8
;
_journal_name_full               'Acta Chemica Scandinavica (43,1989-)'
_journal_page_first              828
_journal_page_last               832
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'Mo Ni P8'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.222
_cell_length_b                   6.222
_cell_length_c                   8.73
_cell_volume                     292.688
_citation_journal_id_ASTM        ACHSE7
_cod_data_source_file            Dewalsky_ACHSE7_1991_615.cif
_cod_data_source_block           Mo1Ni1P8
_cod_original_formula_sum        'Mo1 Ni1 P8'
_cod_database_code               1539773
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-y,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1 Mo 0.6667 0.3333 0.25 1 0.0
Ni1 Ni 0 0 0 1 0.0
P1 P 0.3333 0.6667 0.03706 1 0.0
P2 P 0.0456 0.32135 0.15349 1 0.0
