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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528282.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_1528282
loop_
_publ_author_name
'Abrahams, S.C.'
_publ_section_title
;
 Crystal structure of the transition - metal molybdates and tungstates
 III. Diamagnetic alpha - Zn Mo O4
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2052
_journal_page_last               2063
_journal_volume                  46
_journal_year                    1967
_chemical_formula_sum            'Mo O4 Zn'
_chemical_name_systematic        'Zn (Mo O4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.28
_cell_angle_beta                 96.3
_cell_angle_gamma                106.72
_cell_formula_units_Z            6
_cell_length_a                   9.625
_cell_length_b                   6.965
_cell_length_c                   8.373
_cell_volume                     513.812
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1967_456.cif
_cod_data_source_block           Mo1O4Zn1
_cod_original_cell_volume        513.8118
_cod_original_formula_sum        'Mo1 O4 Zn1'
_cod_database_code               1528282
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.1447 0.9504 0.63 1 0.0
Zn2 Zn+2 0.9886 0.0353 0.1943 1 0.0
Zn1 Zn+2 0.4094 0.7508 0.1946 1 0.0
O7 O-2 0.2513 0.6484 0.9838 1 0.0
O3 O-2 0.183 0.1494 0.3605 1 0.0
O12 O-2 0.4268 0.0596 0.21 1 0.0
O11 O-2 0.5738 0.7532 0.0624 1 0.0
Zn3 Zn+2 0.2138 0.4677 0.387 1 0.0
O4 O-2 0.1509 0.058 0.021 1 0.0
Mo1 Mo+6 0.3409 0.1999 0.1036 1 0.0
O9 O-2 0.0393 0.2664 0.8009 1 0.0
Mo3 Mo+6 0.2559 0.0048 0.4885 1 0.0
O8 O-2 0.5712 0.8414 0.406 1 0.0
O2 O-2 0.2635 0.7637 0.367 1 0.0
O5 O-2 0.2172 0.5212 0.6272 1 0.0
O10 O-2 0.0143 0.3559 0.2315 1 0.0
Mo2 Mo+6 0.1251 0.5208 0.7957 1 0.0
O6 O-2 0.6416 0.5493 0.7668 1 0.0
