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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/50/1005028.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_1005028
loop_
_publ_author_name
'Clarke, S J'
'Kowach, G R'
'DiSalvo, F J'
_publ_section_title
;
Synthesis and structure of two new strontium germanium nitrides: Sr3
Ge2 N2 and Sr2 Ge N2
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7009
_journal_page_last               7012
_journal_paper_doi               10.1021/ic960518x
_journal_volume                  35
_journal_year                    1996
_chemical_formula_structural     'Sr2 (Ge N2)'
_chemical_formula_sum            'Ge N2 Sr2'
_chemical_name_systematic        'Distrontium dinitridogermanate(II)'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.773(2)
_cell_length_b                   11.773(2)
_cell_length_c                   5.409(1)
_cell_volume                     749.7
_refine_ls_R_factor_all          0.038
_cod_database_code               1005028
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,1/2+z
1/2+x,1/2-y,z
1/2+y,1/2+x,1/2+z
x,y,-z
-y,x,1/2-z
1/2+x,1/2-y,-z
1/2+y,1/2+x,1/2-z
-x,-y,-z
y,-x,1/2-z
1/2-x,1/2+y,-z
1/2-y,1/2-x,1/2-z
-x,-y,z
y,-x,1/2+z
1/2-x,1/2+y,z
1/2-y,1/2-x,1/2+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+ 8 h 0.3671(1) 0.4190(1) 0. 1. 0 d
Sr2 Sr2+ 8 h 0.0224(1) 0.3482(1) 0. 1. 0 d
Ge1 Ge2+ 8 h 0.2559(1) 0.1514(1) 0. 1. 0 d
N1 N3- 8 h 0.0996(9) 0.1340(7) 0. 1. 0 d
N2 N3- 8 h 0.3353(9) 0.0131(7) 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Ge2+ 2.000
N3- -3.000