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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004625.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_9004625
loop_
_publ_author_name
'Basciano L C'
'Groat L A'
'Roberts A C'
'Gault R A'
'Dunning G E'
'Walstrom R E'
_publ_section_title
;
 Bigcreekite: A new barium silicate mineral species from Fresno County, California
 Locality: Fresno County, California, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              761
_journal_page_last               768
_journal_volume                  39
_journal_year                    2001
_chemical_formula_sum            'Ba H8 O9 Si2'
_[local]_cod_chemical_formula_sum_orig 'Ba Si2 O9 H8'
_chemical_name_mineral           Bigcreekite
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0453
_cell_length_b                   9.044
_cell_length_c                   18.366
_cell_volume                     838.035
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.18514 0.25000 0.55389 0.01610
Si 0.16660 0.07197 0.20374 0.00880
O(1) 0.38060 0.01460 0.26490 0.01330
O(2) 0.21390 0.00680 0.12480 0.01570
O(3) 0.17000 0.25000 0.20390 0.01590
Wat(4) 0.19450 0.25000 0.02460 0.02170
Wat(5) 0.20190 0.04100 0.44100 0.02640
Wat(6) 0.25400 0.25000 0.84480 0.03950
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
Ba 0.02450 0.01540 0.00840 0.00000 0.00081 0.00000
Si 0.00980 0.01120 0.00540 -0.00010 0.00030 -0.00090
O(1) 0.00970 0.01530 0.01480 -0.00140 -0.00150 0.00320
O(2) 0.01920 0.01870 0.00910 0.00020 0.00230 -0.00350
O(3) 0.01770 0.01240 0.01760 0.00000 -0.00120 0.00000
Wat(4) 0.02360 0.02430 0.01710 0.00000 0.00130 0.00000
Wat(5) 0.02230 0.04080 0.01620 -0.00400 0.00180 -0.00720
Wat(6) 0.06890 0.01910 0.03060 0.00000 -0.02600 0.00000
_cod_database_code 9004625