#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/24/4002475.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_4002475
loop_
_publ_author_name
'Cascales, C.'
'Fernandez-Diaz, M.T.'
'Monge, M.A.'
'Bucio, L.'
_publ_section_title
;
 Crystal structure and low-temperature magnetic ordering in rare earth
 iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1995
_journal_page_last               2003
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Fe Ge2 O7 Tm'
_chemical_name_systematic        'Tm Fe (Ge2 O7)'
_space_group_IT_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                 101.125
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6557
_cell_length_b                   8.5444
_cell_length_c                   6.6336
_cell_volume                     537.002
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Cascales_CMATEX_2002_1120.cif
_cod_data_source_block           Fe1Ge2O7Tm1
_cod_original_cell_volume        537.0021
_cod_original_formula_sum        'Fe1 Ge2 O7 Tm1'
_cod_database_code               4002475
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
Tm1 Tm+3 0.753 0.5519 0.755 1 0.0
Ge2 Ge+4 0.552 0.25 0.473 1 0.0
O6 O-2 0.111 0.25 0.139 1 0.0
O7 O-2 0.141 0.077 0.546 1 0.0
O8 O-2 0.373 0.25 0.346 1 0.0
O4 O-2 0.59 0.25 0.761 1 0.0
Ge1 Ge+4 0.525 0.75 0.055 1 0.0
O3 O-2 0.955 0.25 0.742 1 0.0
Ge3 Ge+4 0.947 0.25 0.004 1 0.0
Ge4 Ge+4 0.033 0.25 0.549 1 0.0
O2 O-2 0.878 0.25 0.331 1 0.0
O9 O-2 0.611 0.25 0.136 1 0.0
Fe1 Fe+3 0.752 0.4524 0.246 1 0.0
O1 O-2 0.644 0.407 0.489 1 0.0
O5 O-2 0.852 0.062 0.033 1 0.0
O10 O-2 0.635 0.597 0.049 1 0.0
