#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004593.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_9004593
_chemical_name 'Juabite'
loop_
_publ_author_name
'Burns P C'
'Clark C M'
'Gault R A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 38
_journal_year 2000
_journal_page_first 809
_journal_page_last 816
_publ_section_title
;
 Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision
 of the chemical formula
;
_chemical_formula_sum 'Ca Cu10 Te4 As4 O34 H10'
_cell_length_a 8.9903
_cell_length_b 10.1197
_cell_length_c 8.9959
_cell_angle_alpha 102.654
_cell_angle_beta 92.432
_cell_angle_gamma 70.432
_cell_volume 752.013
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.50000   0.50000   0.00000   0.02480
Cu(1)  -0.19190   0.79930   0.00210   0.01170
Cu(2)   0.29670   0.84120  -0.48830   0.01040
Cu(3)   0.39210   0.50720  -0.37550   0.01420
Cu(4)   0.68450   0.84870  -0.37080   0.01290
Cu(5)  -0.07340   0.79910   0.39090   0.01540
Te(1)   0.45680   0.83790  -0.15180   0.01140
Te(2)   0.13030   0.83420   0.16980   0.01960
As(1)   0.06560   0.77060  -0.27510   0.00970
As(2)   0.57430   0.78990  -0.72740   0.00820
O(1)  -0.06600   0.79800   0.17800   0.01670
O(2)  -0.00300   0.81400  -0.09500   0.01750
O(3)   0.18500   0.86600  -0.29000   0.01450
O(4)   0.12100   0.84000   0.38800   0.01760
O(5)  -0.32800   0.83500  -0.16300   0.01030
O(6)  -0.09100   0.82000  -0.38800   0.01220
O(7)   0.46900   0.84800  -0.36400   0.01920
O-H(8)   0.39000   0.59700  -0.54800   0.01660
O(9)   0.38700   0.88800  -0.66000   0.01040
O(10)   0.60700   0.84200  -0.88300   0.00950
O(11)   0.60100   0.61400  -0.77300   0.01310
O(12)   0.26500   0.65400   0.10700   0.03810
O(13)   0.16300   0.59400  -0.33600   0.01970
O(14)   0.70400   0.81800  -0.59300   0.01420
Wat(15)   0.03900   0.55200   0.35600   0.04390
Wat(16)  -0.13100   0.55800  -0.05700   0.05270
O(17)   0.49000   0.64500  -0.17700   0.01690