#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/15/1541539.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_1541539
loop_
_publ_author_name
'Perrault, G.'
_publ_section_title
;
 La composition chimique et la structure cristalline du pyrochlore d'Oka,
 P.Q.
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              383
_journal_page_last               402
_journal_volume                  9
_journal_year                    1968
_chemical_formula_sum
'Ca9.56 Ce0.7 F3.44 Fe0.41 H1.2 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5'
_chemical_name_systematic
;
(Na5.04 Ca9.56 Sr0.22 Mn0.016 Mg0.4 Ce0.7 La0.13 Nd0.33 Y0.016 Th0.34 Te0.016) 
(Nb12.98 Ta0.048 Ti1.99 Zr0.5 Fe0.41) O50.67 (O H)1.2 F3.44
;
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.428
_cell_length_b                   10.428
_cell_length_c                   10.428
_cell_volume                     1133.974
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Perrault_CAMIA6_1968_91.cif
_cod_data_source_block
H1.2Ca9.56Ce0.7F3.44Fe0.41La0.13Mg0.4Mn0.016Na5.04Nb12.98Nd0.33O51.87Sr0.22Ta0.048Te0.016Th0.34Ti1.99Y0.016Zr0.5
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum
;
H1.2 Ca9.56 Ce0.7 F3.44 Fe0.41 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 
O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5
;
_cod_database_code               1541539
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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
Te1 Te+4 0.125 0.125 0.125 0.001 0.0
Nb1 Nb+5 0.625 0.625 0.625 0.811 0.0
Ca1 Ca+2 0.125 0.125 0.125 0.598 0.0
Na1 Na+1 0.125 0.125 0.125 0.315 0.0
La1 La+3 0.125 0.125 0.125 0.008 0.0
Sr1 Sr+2 0.125 0.125 0.125 0.014 0.0
Mg1 Mg+2 0.125 0.125 0.125 0.025 0.0
Ce1 Ce+3 0.125 0.125 0.125 0.044 0.0
Y1 Y+3 0.125 0.125 0.125 0.001 0.0
Ti1 Ti+4 0.625 0.625 0.625 0.124 0.0
Th1 Th+4 0.125 0.125 0.125 0.021 0.0
O1 O-2 0 0 0 0.484 0.0
Fe1 Fe+3 0.625 0.625 0.625 0.026 0.0
Ta1 Ta+5 0.625 0.625 0.625 0.003 0.0
Zr1 Zr+4 0.625 0.625 0.625 0.031 0.0
Mn1 Mn+2 0.125 0.125 0.125 0.001 0.0
O2 O-2 0.316 0 0 1 0.0
F1 F-1 0 0 0 0.43 0.0
Nd1 Nd+3 0.125 0.125 0.125 0.021 0.0
