#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/13/9001379.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001379
loop_
_publ_author_name
'Grice, J. D.'
'Dunn, P. J.'
_publ_section_title
;
 The crystal structure of cianciulliite, Mn(Mg,Mn)2Zn2(OH)10*2-4H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1711
_journal_page_last               1747
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Mg2 Mn O14 Zn2'
_chemical_name_mineral           Cianciulliite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.23
_cell_angle_gamma                90
_cell_length_a                   15.405
_cell_length_b                   6.344
_cell_length_c                   5.562
_cell_formula_units_Z            2
_cell_volume                     533.163
_database_code_amcsd             0001413
_exptl_crystal_density_diffrn    2.855
_cod_original_formula_sum        'Mn Mg2 Zn2 O14'
_cod_database_code               9001379
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
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
Mn 0.02090 0.00870 0.01020 0.00000 0.00430 0.00000
Mg 0.02100 0.00700 0.01000 0.00000 0.00530 0.00000
Zn 0.02000 0.01050 0.01120 0.00000 0.00340 0.00000
O1 0.02000 0.01800 0.01900 0.00000 0.00400 0.00000
O2 0.02400 0.01100 0.01000 0.00000 0.00700 0.00000
O3 0.02400 0.06400 0.01700 0.00000 0.00600 0.00000
O4 0.02000 0.01000 0.01300 -0.00300 0.00200 -0.00400
O5 0.03200 0.03300 0.01800 0.00100 0.00800 0.00300
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn 0.00000 0.00000 0.00000
Mg 0.00000 0.25360 0.50000
Zn 0.61870 0.00000 0.07050
O1 0.06710 0.00000 0.37100
O2 0.57770 0.00000 0.38500
O3 0.74850 0.00000 0.16600
O4 0.41750 0.25380 0.12820
O5 0.24790 0.06400 0.31500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001413
