#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/11/8101139.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_8101139
loop_
_publ_author_name
'Zheng, Chong'
'Mattausch, Hansjürgen'
'Simon, Arndt'
_publ_section_title
;
Refinement of the crystal structure of lanthanum digallide, LaGa₂
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              497
_journal_page_last               497
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'Ga2 La'
_chemical_formula_weight         278.35
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   4.3092(6)
_cell_length_b                   4.3092(6)
_cell_length_c                   4.4251(9)
_cell_measurement_temperature    293(2)
_cell_volume                     71.16(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.495
_cod_database_code               8101139
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, x, z'
'y, -x+y, z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-y, -x, -z'
'x, x-y, -z'
'-x+y, y, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, -x, -z'
'-y, x-y, -z'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
'y, x, z'
'-x, -x+y, z'
'x-y, -y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La La 0.0000 0.0000 0.0000 0.0060(2) Uani 1 1 a d S . .
Ga Ga 0.6667 0.3333 0.5000 0.0095(2) Uani 1 2 d d S . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
La 0.0056(2) 0.0056(2) 0.0069(3) 0.000 0.000 0.00280(12)
Ga 0.0051(3) 0.0051(3) 0.0184(5) 0.000 0.000 0.00254(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La Ga 3.3294(4) 13_666 ?
La Ga 3.3294(4) 13 ?
La Ga 3.3294(4) 1_444 ?
La Ga 3.3294(4) 13_556 ?
La Ga 3.3294(4) 1_554 ?
La Ga 3.3294(4) 1_445 ?
La Ga 3.3294(4) 13_665 ?
La Ga 3.3294(4) . ?
La Ga 3.3294(4) 13_655 ?
La Ga 3.3294(4) 1_454 ?
La Ga 3.3294(4) 1_455 ?
La Ga 3.3294(4) 13_656 ?
Ga Ga 2.4879(3) 13_666 ?
Ga Ga 2.4879(3) 13_766 ?
Ga Ga 2.4879(3) 13_656 ?
Ga La 3.3294(4) 1_666 ?
Ga La 3.3294(4) 1_655 ?
Ga La 3.3294(4) 1_656 ?
Ga La 3.3294(4) 1_665 ?
Ga La 3.3294(4) 1_556 ?
