#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/62/1526222.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_1526222
loop_
_publ_author_name
'Gurbanova, O.A.'
'Smolin, A.S.'
'Rastsvetaeva, R.K.'
'Kashaev, A.A.'
_publ_section_title
;
 Refined crystal structure of TR-fersmite (TR = Ce)
;
_journal_name_full               Kristallografiya
_journal_page_first              234
_journal_page_last               235
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Ca0.89 Ce0.11 H0.59 Nb1.3 O6 Ti0.7'
_chemical_name_systematic
'(Ca0.89 Ce0.11) (Nb1.3 Ti0.7) O5 (O0.41 (O H)0.59)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2c'
_symmetry_space_group_name_H-M   'P c a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.762
_cell_length_b                   14.988
_cell_length_c                   5.246
_cell_volume                     453.049
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Gurbanova_KRISAJ_2001_1757.cif
_cod_data_source_block           H0.59Ca0.89Ce0.11Nb1.3O6Ti0.7
_cod_original_sg_symbol_Hall     '-P 2n 2ab (y,-x,z)'
_cod_original_formula_sum        'H0.59 Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7'
_cod_database_code               1526222
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
x,-y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
x-1/2,-y-1/2,z
-x,y,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
O3 O-2 0.365 0.2576 0.1285 1 0.0
Nb1 Nb+5 0.1827 0.1662 0.2999 0.65 0.0
O2 O-2 0.4298 0.4013 0.511 1 0.0
Ce1 Ce+3 0.226 0.5 0.25 0.11 0.0
O1 O-2 0.3995 0.0886 0.404 1 0.0
Ca1 Ca+2 0.226 0.5 0.25 0.89 0.0
Ti1 Ti+4 0.1827 0.1662 0.2999 0.35 0.0
