#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/65/1526558.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_1526558
loop_
_publ_author_name
'Schneemeyer, L.F.'
'Guterman, L.'
'Siegrist, T.'
'Kowach, G.R.'
_publ_section_title
;
 Synthesis and structure of a new germanate fluoride: Na Ca2 Ge O4 F
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              33
_journal_page_last               38
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Ca2.13 F Ge Na0.87 O4'
_chemical_name_systematic        '(Na0.87 Ca2.13) (Ge O4) F'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.362
_cell_length_b                   7.328
_cell_length_c                   12.681
_cell_volume                     498.271
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Schneemeyer_JSSCBI_2001_1633.cif
_cod_data_source_block           Ca2.13F1Ge1Na0.87O4
_cod_original_cell_volume        498.2712
_cod_original_formula_sum        'Ca2.13 F1 Ge1 Na0.87 O4'
_cod_database_code               1526558
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Ge1 Ge+4 0.8028 0.75 0.08338 1 0.0
Na1 Na+1 0.2636 0.49 0.1703 0.3 0.0
Na2 Na+1 0.7338 0.25 0.09083 0.27 0.0
Ca1 Ca+2 0.2636 0.49 0.1703 0.7 0.0
O1 O-2 0.1299 0.75 0.0814 1 0.0
F1 F-1 0.0008 0.25 0.2405 1 0.0
O2 O-2 0.7051 0.5545 0.1486 1 0.0
Ca2 Ca+2 0.7338 0.25 0.09083 0.73 0.0
O3 O-2 0.3013 0.25 0.0484 1 0.0
