#------------------------------------------------------------------------------
#$Date: 2016-02-18 13:25:00 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/34/8103447.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_8103447
loop_
_publ_author_name
'Weltzer, M.'
'Jung, W.'
_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            'B2 Ca3 Ni7'
_chemical_name_systematic        'Ca3 Ni7 B2'
_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                   5.157
_cell_length_b                   5.157
_cell_length_c                   21.433
_cell_volume                     493.637
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron_41.cif
_cod_data_source_block           B2Ca3Ni7
_cod_original_cell_volume        493.6372
_cod_database_code               8103447
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 0 0 1 0.0
Ca1 Ca 0 0 0.5 1 0.0
Ni2 Ni 0.83708 0.16292 0.10186 1 0.0
B1 B 0 0 0.169 1 0.0
Ca2 Ca 0 0 0.3551 1 0.0
