#------------------------------------------------------------------------------
#$Date: 2016-09-15 16:27:05 +0200 (Thu, 15 Sep 2016) $
#$Revision: 186580 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/10/1541042.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_1541042
loop_
_publ_author_name
'Thiele, G.'
'Rotter, H.W.'
'Schmidt, K.'
_publ_section_title
;
 Die Heptabromodigermanate(II) A3Ge2Br7 (A=Rb, NH4) Synthesen,
 Charakterisierung und Kristallstrukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              149
_journal_page_last               158
_journal_volume                  578
_journal_year                    1989
_chemical_formula_sum            'Br7 Ge2 H12 N3'
_chemical_name_systematic        '(N H4)3 Ge2 Br7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.058
_cell_length_b                   12.756
_cell_length_c                   13.116
_cell_volume                     1646.130
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Thiele_ZAACAB_1989_1924.cif
_cod_data_source_block           H12Br7Ge2N3
_cod_original_cell_volume        1646.13
_cod_original_formula_sum        'H12 Br7 Ge2 N3'
_cod_database_code               1541042
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
_atom_site_attached_hydrogens
N2 N-3 0.718 0.3148 0.6391 1 0.0 4
Ge1 Ge+2 0.6412 0.0428 0.4297 1 0.0 0
Br6 Br-1 0.082 0.1897 0.1994 1 0.0 0
Br3 Br-1 0.5916 0.8381 0.4538 1 0.0 0
Br4 Br-1 0.4211 0.0591 0.2025 1 0.0 0
Br2 Br-1 0.8165 0.9951 0.3262 1 0.0 0
Br5 Br-1 0.1603 0.0598 0.9585 1 0.0 0
N3 N-3 0.387 0.193 0.815 1 0.0 4
Ge2 Ge+2 0.1718 0.0111 0.148 1 0.0 0
N1 N-3 0.048 0.1789 0.4638 1 0.0 4
Br1 Br-1 0.1922 0.9436 0.3988 1 0.0 0
Br7 Br-1 0.7243 0.2754 0.3858 1 0.0 0
