#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001314.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_1001314
loop_
_publ_author_name
'Srinivasa, S R'
'Cartz, L'
'Jorgensen, J D'
'Labbe, J C'
_publ_section_title
;
Pressure-induced tetrahedral tilting and deformation in Ge₂ N₂ O
;
_journal_coden_ASTM              JACGAR
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              511
_journal_page_last               516
_journal_paper_doi               10.1107/S0021889879013182
_journal_volume                  12
_journal_year                    1979
_chemical_formula_structural     'GE2 N2 O'
_chemical_formula_sum            'Ge2 N2 O'
_chemical_name_systematic        'DIGERMANIUM DINITRIDE OXIDE'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.261(4)
_cell_length_b                   5.707(2)
_cell_length_c                   5.074(1)
_cell_volume                     268.2
_refine_ls_R_factor_all          0.025
_cod_database_code               1001314
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,z
-x,-y,1/2+z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,z
1/2-x,1/2-y,1/2+z
1/2+x,1/2-y,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
Ge1 Ge4+ 8 b 0.171(2) 0.143(5) 0.370(14) 1. 0 d
N1 N3- 8 b 0.195(1) 0.143(3) 0.714(14) 1. 0 d
O1 O2- 4 a 0. 0.276(7) 0.23 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge4+ 4.000
N3- -3.000
O2- -2.000
