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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014190.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9014190
loop_
_publ_author_name
'Andrade, M. B.'
'Atencio, D.'
'Menezes, L. A. D.'
'Ellena, J.'
_publ_section_title
;
 The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F
 from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_paper_doi               10.3749/canmin.49.2.615
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil'
_chemical_formula_sum
'As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7'
_chemical_name_mineral           Fluornatromicrolite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4396
_cell_length_b                   10.4396
_cell_length_c                   10.4396
_cell_volume                     1137.762
_database_code_amcsd             0018462
_exptl_crystal_density_diffrn    5.800
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Na.88 Ca.88 Pb.02 (Ta1.7 Nb.14 Si.12 As.04) O6 F.73 H.24'
_cod_database_code               9014190
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+z,1/2-x,1/4+y
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1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
3/4-z,1/2+x,1/4-y
3/4-z,+x,3/4-y
1/4-z,1/2+x,3/4-y
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1/4+z,3/4+x,1/2-y
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3/4+x,1/4+y,1/2-z
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1/4-y,+x,1/4-z
3/4-y,1/2+x,1/4-z
3/4-y,+x,3/4-z
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3/4-x,1/4-z,1/2+y
1/4-x,3/4-z,1/2+y
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3/4+z,3/4+y,-x
3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
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3/4-y,3/4-x,z
3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
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1/4-z,3/4-y,1/2+x
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3/4+y,1/4+x,1/2-z
1/4+y,3/4+x,1/2-z
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y,z,x
y,1/2+z,1/2+x
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NaA 0.50000 0.50000 0.50000 0.44000 0.01810
CaA 0.50000 0.50000 0.50000 0.44000 0.01810
PbA 0.50000 0.50000 0.50000 0.01000 0.01810
TaB 0.00000 0.00000 0.00000 0.85000 0.01260
NbB 0.00000 0.00000 0.00000 0.07000 0.01260
SiB 0.00000 0.00000 0.00000 0.06000 0.01260
AsB 0.00000 0.00000 0.00000 0.02000 0.01260
O1 0.06840 0.37500 0.37500 0.96000 0.02070
O-H1 0.06840 0.37500 0.37500 0.04000 0.02070
F 0.37500 0.37500 0.37500 0.73000 0.01300