#------------------------------------------------------------------------------
#$Date: 2015-09-18 23:47:39 +0200 (Fri, 18 Sep 2015) $
#$Revision: 158080 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/23/1532374.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_1532374
loop_
_publ_author_name
'Wurth, A.'
'Keimes, V.'
'Johrendt, D.'
'Mewis, A.'
_publ_section_title
;
 Neue ternaere Phosphide und Arsenide mit einem
 Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2183
_journal_page_last               2190
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ni12 P7 Sc2'
_chemical_name_systematic        'Sc2 Ni12 P7'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.013
_cell_length_b                   9.013
_cell_length_c                   3.59
_cell_volume                     252.560
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wurth_ZAACAB_2001_30.cif
_cod_data_source_block           Ni12P7Sc2
_cod_original_cell_volume        252.5595
_cod_database_code               1532374
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
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
P2 P 0.1204 0.4121 0.5 1 0.0
Sc1 Sc 0.3333 0.6667 0 1 0.0
Ni2 Ni 0.1567 0.2783 0 1 0.0
P1 P 0.4142 0.2939 0 1 0.0
Ni4 Ni 0.2201 0.0951 0.5 1 0.0
Ni3 Ni 0.3843 0.4348 0.5 1 0.0
P3 P 0 0 0 1 0.0
Sc2 Sc 0.6667 0.3333 0.5 1 0.0
Ni1 Ni 0.4359 0.0618 0 1 0.0
