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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015570.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_9015570
loop_
_publ_author_name
'Kampf, A. R.'
'Housley, R. M.'
'Mills, S. J.'
'Marty, J.'
'Thorne, B.'
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1329
_journal_page_last               1336
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Otto Mountain, Baker, California, USA'
_chemical_formula_sum            'O5 Pb2 Te'
_chemical_name_mineral           Ottoite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.330
_cell_angle_gamma                90
_cell_length_a                   7.5353
_cell_length_b                   5.7142
_cell_length_c                   10.8981
_cell_volume                     469.126
_database_code_amcsd             0017558
_exptl_crystal_density_diffrn    8.807
_[local]_cod_chemical_formula_sum_orig 'Pb2 Te O5'
_cod_database_code               9015570
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.00890 0.01340 0.01520 0.00100 -0.00030 0.00120
Te 0.00520 0.00690 0.00690 -0.00020 0.00080 0.00070
O1 0.01000 0.00800 0.02100 -0.00200 -0.00200 0.01000
O2 0.01600 0.02000 0.00600 -0.00700 0.00000 -0.00300
O3 0.00200 0.01000 0.01700 0.00000 0.00200 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.34125 0.00490 0.33909 0.01250
Te 0.50000 0.50000 0.50000 0.00630
O1 0.57260 0.79730 0.44170 0.01300
O2 0.46530 0.38540 0.33730 0.01400
O3 0.25000 0.62560 0.50000 0.01000