#------------------------------------------------------------------------------
#$Date: 2015-07-12 19:44:10 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147570 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103625.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_8103625
loop_
_publ_author_name
'Rohrer, F.E.'
'Larsson, A.K.'
'Eriksson, L.'
'Lind, H.'
'Lidin, S.'
_publ_section_title
;
 On the question of commensurability - the Nowotny chimney-ladder
 structures revisited
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              650
_journal_page_last               660
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Ge22 Mo11.75 Rh1.25'
_chemical_name_systematic        '(Mo11.75 Rh1.25) Ge22'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.922
_cell_length_b                   5.922
_cell_length_c                   62.88
_cell_volume                     2205.207
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Rohrer_ZEKRDZ_2000_822.cif
_cod_data_source_block           Ge22Mo11.75Rh1.25
_cod_database_code               8103625
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
Rh4 Rh 0 0 0.23 0.096 0.0
Mo3 Mo 0 0 0.155 0.904 0.0
Ge1 Ge 0.199 0.151 0.035 1 0.0
Ge5 Ge 0.329 0.342 0.307 1 0.0
Rh3 Rh 0 0 0.155 0.096 0.0
Rh2 Rh 0 0 0.076 0.096 0.0
Mo6 Mo 0 0 0.385 0.904 0.0
Mo5 Mo 0 0 0.308 0.904 0.0
Ge4 Ge 0.232 0.151 0.262 1 0.0
Ge6 Ge 0.15 0.218 0.352 1 0.0
Ge3 Ge 0.151 0.25 0.125 1 0.0
Rh1 Rh 0 0 0 0.096 0.0
Mo4 Mo 0 0 0.23 0.904 0.0
Mo1 Mo 0 0 0 0.904 0.0
Mo2 Mo 0 0 0.076 0.904 0.0
Rh5 Rh 0 0 0.308 0.096 0.0
Rh6 Rh 0 0 0.385 0.096 0.0
Rh7 Rh 0 0 0.46 0.096 0.0
Ge2 Ge 0.346 0.319 0.079 1 0.0
Mo7 Mo 0 0 0.46 0.904 0.0
