#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/15/1541537.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_1541537
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
'Ca11.01 Ce1.36 F6.34 Fe0.75 H0.41 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24'
_chemical_name_systematic
;
(Na2.35 Ca11.01 Sr0.14 Mn0.032 Mg0.11 Ce1.36 La0.27 Nd0.34 Y0.016 U0.064 
Th0.13 Te0.016) (Nb11.62 Ta0.3 Ti2.85 Zr0.24 Fe0.75) O49.25 (O H)0.41 F6.34
;
_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                   10.43
_cell_length_b                   10.43
_cell_length_c                   10.43
_cell_volume                     1134.627
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Perrault_CAMIA6_1968_89.cif
_cod_data_source_block
H0.41Ca11.01Ce1.36F6.34Fe0.75La0.27Mg0.11Mn0.032Na2.35Nb11.62Nd0.34O49.66Sr0.14Ta0.3Te0.016Th0.13Ti2.85U0.064Y0.016Zr0.24
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum
;
H0.41 Ca11.01 Ce1.36 F6.34 Fe0.75 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 
O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24
;
_cod_database_code               1541537
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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
U1 U+4 0.125 0.125 0.125 0.004 0.0
Fe1 Fe+3 0.625 0.625 0.625 0.047 0.0
Nb1 Nb+5 0.625 0.625 0.625 0.726 0.0
Th1 Th+4 0.125 0.125 0.125 0.008 0.0
Sr1 Sr+2 0.125 0.125 0.125 0.009 0.0
Y1 Y+3 0.125 0.125 0.125 0.001 0.0
O2 O-2 0.316 0 0 1 0.0
Zr1 Zr+4 0.625 0.625 0.625 0.015 0.0
Ta1 Ta+5 0.625 0.625 0.625 0.019 0.0
Ti1 Ti+4 0.625 0.625 0.625 0.178 0.0
Na1 Na+1 0.125 0.125 0.125 0.147 0.0
O1 O-2 0 0 0 0.207 0.0
Ca1 Ca+2 0.125 0.125 0.125 0.688 0.0
La1 La+3 0.125 0.125 0.125 0.017 0.0
Mn1 Mn+2 0.125 0.125 0.125 0.002 0.0
Nd1 Nd+3 0.125 0.125 0.125 0.021 0.0
F1 F-1 0 0 0 0.793 0.0
Mg1 Mg+2 0.125 0.125 0.125 0.007 0.0
Ce1 Ce+3 0.125 0.125 0.125 0.085 0.0
Te1 Te+4 0.125 0.125 0.125 0.001 0.0
