#------------------------------------------------------------------------------
#$Date: 2016-01-25 01:45:24 +0100 (lun 25 de ene de 2016) $
#$Revision: 174981 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/05/1010560.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_1010560
loop_
_publ_author_name
'Zintl, E.'
'Harder, A.'
_publ_section_title              'Konstitution der Erdalkalihydride'
_journal_coden_ASTM              ZEELAI
_journal_issue                   1
_journal_name_full
;
 Zeitschrift für Elektrochemie und angewandte physikalische Chemie
;
_journal_page_first              33
_journal_page_last               52
_journal_paper_doi               10.1002/bbpc.19350410110
_journal_volume                  41
_journal_year                    1935
_chemical_formula_structural     'Sr H2'
_chemical_formula_sum            'H2 Sr'
_chemical_name_systematic        'Strontium hydride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.364
_cell_length_b                   7.343
_cell_length_c                   3.875
_cell_volume                     181.1
_exptl_crystal_density_meas      3.26
_cod_database_code               1010560
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 4 c 0.01 0.11 0.25 1. 0 d
H1 H1- 4 c 0.01 0.43 0.25 1. 0 d
H2 H1- 4 c 0.246 0.742 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
H1- -1.000
