#------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/03/1000395.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_1000395
loop_
_publ_author_name
'Mercier, N'
'Leblanc, M'
'Antic-Fidancev, E'
'Lemaitre-Blaise, M'
'Porcher, P'
_publ_section_title
;
Structure and optical properties of K Gd (C O3) F2 : Eu(3+)
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              198
_journal_page_last               202
_journal_paper_doi               10.1016/0925-8388(94)07093-8
_journal_volume                  225
_journal_year                    1995
_chemical_formula_structural     'K Gd (C O3) F2'
_chemical_formula_sum            'C F2 Gd K O3'
_chemical_name_systematic        'Potassium gadolinium carbonate difluoride'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.006(2)
_cell_length_b                   11.181(3)
_cell_length_c                   21.86499(600)
_cell_volume                     1712.8
_refine_ls_R_factor_all          0.028
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'F2 Gd K O3'
 to 'C F2 Gd K O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_database_code               1000395
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/4-y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/4-y,z
-x,-y,-z
-x,3/4+y,3/4+z
3/4+x,-y,3/4+z
3/4+x,3/4+y,-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
x,3/4-y,3/4-z
1/2+x,1/4-y,3/4-z
1/2+x,3/4-y,1/4-z
1/4-x,1/2+y,3/4-z
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,3/4-y,1/2+z
3/4-x,1/4-y,1/2+z
3/4-x,3/4-y,z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-x,1/4+y,1/4+z
1/2-x,3/4+y,1/4+z
1/2-x,1/4+y,3/4+z
3/4+x,1/2-y,1/4+z
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4+x,1/4+y,1/2-z
1/4+x,3/4+y,1/2-z
1/4+x,1/4+y,-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
K1 K1+ 16 g 0.125 0.125 0.2075(1) 1. 0 d
Gd1 Gd3+ 16 f 0.125 0.4424(1) 0.125 1. 0 d
F1 F1- 32 h 0.8106(6) 0.7708(3) 0.1090(2) 1. 0 d
C1 C4+ 16 g 0.125 0.125 0.5030(3) 1. 0 d
O1 O2- 16 g 0.125 0.125 0.5627(2) 1. 0 d
O2 O2- 32 h 0.7849(6) 0.6242(4) 0.4744(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Gd3+ 3.000
F1- -1.000
C4+ 4.000
O2- -2.000
