#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009620.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_9009620
loop_
_publ_author_name
'Hawthorne F C'
_publ_section_title
;
 The crystal structure of stringhamite
 Locality: Christmas mine, Pinal County, Arizona, USA
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              15
_journal_page_last               24
_journal_volume                  34
_journal_year                    1985
_chemical_formula_sum            'Ca Cu H2 O5 Si'
_[local]_cod_chemical_formula_sum_orig 'Ca Cu Si O5 H2'
_chemical_name_mineral           Stringhamite
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.96
_cell_angle_gamma                90
_cell_length_a                   5.030
_cell_length_b                   16.1350
_cell_length_c                   5.343
_cell_volume                     422.587
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+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
Ca 0.64960 0.17671 0.34640 0.00890
Cu1 0.00000 0.00000 0.50000 0.00910
Cu2 0.50000 0.00000 0.00000 0.00930
Si 0.98020 0.11123 -0.02900 0.00750
O1 0.89950 0.20580 0.02680 0.01100
O2 0.84610 0.08530 0.67400 0.01300
O3 0.31290 0.10230 0.03830 0.01000
O4 0.84190 0.05410 0.16910 0.00900
O5 0.35250 0.20940 0.62570 0.01400
H5A 0.31900 0.31600 0.22200 0.01000
H5B 0.18400 0.25800 0.08100 0.01000
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
Ca 0.00930 0.01020 0.00740 0.00040 0.00270 0.00010
Cu1 0.01080 0.01020 0.00620 0.00160 0.00190 -0.00020
Cu2 0.00700 0.00980 0.01070 0.00020 0.00130 -0.00100
Si 0.00650 0.00890 0.00740 -0.00010 0.00220 -0.00010
O1 0.01090 0.01240 0.00960 0.00010 0.00330 -0.00110
O2 0.01600 0.01170 0.01090 0.00650 0.00370 -0.00020
O3 0.00660 0.01180 0.01170 -0.00050 0.00290 -0.00280
O4 0.00820 0.01110 0.00830 0.00070 0.00310 0.00050
O5 0.01600 0.01380 0.01360 -0.00090 0.00660 0.00440
_cod_database_code 9009620