#------------------------------------------------------------------------------
#$Date: 2016-02-16 17:55:33 +0100 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/34/8103487.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_8103487
loop_
_publ_author_name
'Jung, W.'
'Weltzer, M.'
_publ_section_title
;
 Die ternaeren Calcium-Nickelboride CaNi4B, Ca3Ni7B2, Ca5Ni15B4 und
 CaNi12B6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              169
_journal_page_last               178
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'B6 Ca Ni12'
_chemical_name_systematic        'Ca Ni12 B6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.528
_cell_length_b                   9.528
_cell_length_c                   7.407
_cell_volume                     582.340
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron4-x_219.cif
_cod_data_source_block           B6Ca1Ni12
_cod_original_cell_volume        582.3398
_cod_original_formula_sum        'B6 Ca1 Ni12'
_cod_database_code               8103487
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ni1 Ni 0.36944 0 0.5 1 0.0
Ni2 Ni 0.42272 -0.42272 0.03233 1 0.0
Ca1 Ca 0 0 0 1 0.0
B1 B 0.189 -0.189 0.0461 1 0.0
