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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507772.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_1507772
loop_
_publ_author_name
'Fortes, A D'
'Wood, I G'
_publ_section_title
;
 X-ray powder diffraction analysis of a new magnesium chromate hydrate,
 MgCrO4.11H2O
;
_journal_name_full
;
Powder Diffraction
;
_journal_page_first              8
_journal_page_last               11
_journal_volume                  27
_journal_year                    2012
_chemical_formula_sum            'Cr H22 Mg O15'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.920(1)
_cell_angle_beta                 89.480(1)
_cell_angle_gamma                62.772(1)
_cell_formula_units_Z            2
_cell_length_a                   6.81133(8)
_cell_length_b                   6.95839(9)
_cell_length_c                   17.3850(2)
_cell_measurement_temperature    288
_cell_volume                     732.166(17)
_diffrn_ambient_temperature      288
_[local]_cod_data_source_file    MgCrO4-11H2O.cif
_[local]_cod_data_source_block   MgCrO4-11H2O
_[local]_cod_chemical_formula_sum_orig 'Cr1 H22 Mg1 O15'
_cod_database_code               1507772
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_U_iso_or_equiv
Mg1 1.0 0.0 0.0 4.6(4)
Ow1 0.6581(2) 0.1854(13) 0.0084(6) 0.013(1)
Ow2 0.9780(17) -0.2619(10) 0.0546(5) 0.013(1)
Ow3 1.0413(16) 0.1052(14) 0.1070(2) 0.013(1)
Mg2 1.0 0.0 0.5 0.046(4)
Ow4 1.1527(15) -0.1051(14) 0.3942(3) 0.013(1)
Ow5 0.8180(14) -0.1700(14) 0.4854(6) 0.013(1)
Ow6 0.7498(11) 0.2725(9) 0.4445(5) 0.013(1)
Cr 0.4070(7) 0.3184(8) 0.2026(3) 0.049(3)
O1 0.2938(17) 0.3385(18) 0.1179(3) 0.013(1)
O2 0.2117(13) 0.4441(14) 0.2650(4) 0.013(1)
O3 0.5442(15) 0.0628(7) 0.2301(6) 0.013(1)
O4 0.5768(15) 0.4260(15) 0.1998(7) 0.013(1)
Ow7 0.3156(21) 0.4060(20) 0.4208(7) 0.013(1)
Ow8 0.6047(19) -0.2391(20) 0.1159(6) 0.013(1)
Ow9 0.5562(19) -0.1516(21) 0.3616(7) 0.013(1)
Ow10 0.8311(20) 0.4439(20) 0.3136(7) 0.013(1)
Ow11 1.0005(20) -0.0975(20) 0.2473(6) 0.013(1)
_journal_paper_doi 10.1017/S088571561200005X