#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520968.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_1520968
loop_
_publ_author_name
'Ellner, M.'
'Mittemeijer, E.J.'
'Reule, H.'
_publ_section_title
;
 The structure of the trihydride Gd H3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              127
_journal_page_last               131
_journal_volume                  309
_journal_year                    2000
_chemical_formula_sum            'Gd H3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.4662
_cell_length_b                   6.4662
_cell_length_c                   6.717
_cell_volume                     243.223
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ellner_JALCEU_2000_1414.cif
_cod_data_source_block           H3Gd1
_cod_original_cell_volume        243.2228
_cod_original_formula_sum        'H3 Gd1'
_cod_database_code               1520968
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,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
Gd1 Gd+3 0.3333 0 0.25 1 0.0
H2 H-1 0.3333 0.6667 0.167 1 0.0
H3 H-1 0.356 0.328 0.096 1 0.0
H1 H-1 0 0 0.25 1 0.0
