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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004263.cif $
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#
# 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_9004263
_chemical_name 'Meyerhofferite'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 31
_journal_year 1993
_journal_page_first 305
_journal_page_last 312
_publ_section_title
;
 Hydrogen bonding in meyerhofferite: An X-ray and structure energy study
 from Mount Blanco, Death Valley, California
 Locality: Mount Blanco, Death Valley, California, USA
;
_chemical_formula_sum 'Ca B3 O9 H7'
_cell_length_a 6.632
_cell_length_b 8.337
_cell_length_c 6.4748
_cell_angle_alpha 90.81
_cell_angle_beta 101.97
_cell_angle_gamma 86.76
_cell_volume 349.653
_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   0.01073   0.37602   0.24440   0.01060
B1   0.31680   0.79740   0.48550   0.01120
B2   0.28790   0.63230   0.16540   0.00960
B3   0.03930   0.26520   0.69920   0.00940
O1   0.40420   0.73580   0.32740   0.01370
O-h2   0.42240   0.88740   0.64830   0.01550
O3   0.11500   0.77760   0.49250   0.01250
O-h4   0.33630   0.46170   0.20590   0.01490
O5   0.06170   0.65190   0.14810   0.00990
O-h6   0.16940   0.37990   0.61860   0.01190
OW7   0.15210   0.10710   0.21120   0.01610
O-h8   0.15400   0.12230   0.79890   0.01520
O-h9   0.33150   0.67110   0.95640   0.01290
H1   0.56300   0.90100   0.64200   0.02000
H2   0.45300   0.42900   0.14800   0.02000
H3   0.31300   0.35200   0.64200   0.02000
H4   0.25300   0.06500   0.73300   0.02000
H5   0.37300   0.77900   0.95100   0.02000
H6   0.05200   0.03200   0.22700   0.02000
H7   0.16400   0.10400   0.06600   0.02000