#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536236.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_1536236
loop_
_publ_author_name
'Oeckler, O.'
'Jardin, C.'
'Mattausch, H.J.'
'Bauer, J.'
'Simon, A.'
'Halet, J.F.'
'Saillard, J.Y.'
_publ_section_title
;
 Synthesis, characterization, structural and theoretical analysis of a new
 rare-earth boride carbide: Lu3 B C3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1389
_journal_page_last               1394
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'C3 B Lu3'
_chemical_name_systematic        'Lu3 B C3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.978
_cell_length_b                   5.0095
_cell_length_c                   15.67
_cell_volume                     390.767
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Oeckler_ZAACAB_2001_55.cif
_cod_data_source_block           C3B1Lu3
_cod_original_cell_volume        390.7674
_cod_original_formula_sum        'C3 B1 Lu3'
_cod_database_code               1536236
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
C1 C 0 0.595 0.25 1 0.0
Lu2 Lu 0 0.58557 0.39606 1 0.0
C2 C 0 0.0959 0.4129 1 0.0
B1 B 0 0 0.5 1 0.0
Lu1 Lu 0 0.09165 0.25 1 0.0
