#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/50/1005027.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_1005027
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     'Sr3 Ge (Ge N2)'
_chemical_formula_sum            'Ge2 N2 Sr3'
_chemical_name_systematic        'Tristrontium germanide dinitridogermanate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.42(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.032(2)
_cell_length_b                   3.883(1)
_cell_length_c                   9.648(2)
_cell_volume                     312.8
_refine_ls_R_factor_all          0.106
_cod_database_code               1005027
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
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+ 2 e 0.3165(2) 0.25 0.9442(3) 1. 0 d
Sr2 Sr2+ 2 e 0.5202(3) 0.25 0.6701(3) 1. 0 d
Sr3 Sr2+ 2 e 0.1175(4) 0.25 0.3522(3) 1. 0 d
Ge1 Ge4+ 2 e 0.7580(4) 0.25 0.3485(3) 1. 0 d
Ge2 Ge4- 2 e 0.9155(4) 0.25 0.9441(3) 1. 0 d
N1 N3- 2 e 0.6804(34) 0.25 0.5108(26) 1. 0 d
N2 N3- 2 e 0.5733(32) 0.25 0.1784(24) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Ge4+ 4.000
Ge4- -4.000
N3- -3.000
