#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/65/1536500.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_1536500
loop_
_publ_author_name
'Pavlyuk, V.V.'
'Bodak, O.I.'
_publ_section_title
;
 Crystal structure of compounds Li2Ni12P7 and Li2Co12P7.
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              991
_journal_page_last               994
_journal_volume                  28
_journal_year                    1992
_chemical_formula_sum            'Li2 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                   9.037
_cell_length_b                   9.037
_cell_length_c                   3.584
_cell_volume                     253.482
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Pavlyuk_IVNMAW_1992_1279.cif
_cod_data_source_block           Li2Ni12P7
_cod_database_code               1536500
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
Ni4 Ni 0.227 0.101 0.5 1 0.0
Li1 Li 0.3333 0.6667 0 1 0.0
Ni3 Ni 0.37 0.434 0.5 1 0.0
Ni2 Ni 0.165 0.29 0 1 0.0
Li2 Li 0.6667 0.3333 0.5 1 0.0
P3 P 0.12 0.41 0.5 1 0.0
P2 P 0.439 0.302 0 1 0.0
P1 P 0 0 0 1 0.0
Ni1 Ni 0.422 0.062 0 1 0.0
